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Strategy Report 2016–2026

Dnr STYR 2017/357


Partners


TABLE OF CONTENTS Executive summary............................................................................................. 4 Background............................................................................................................. 7 Vision – MAX IV Laboratory in the year 2026..................................... 13 Current & Future Science.............................................................................. 17 Science examples......................................................................................... 18 Future development of the MAX IV facility......................................... 29 Gap analysis.................................................................................................... 30 Roadmap for accelerator development: 2016–2030................. 32 Beamline portfolio development......................................................... 40 Beamline ramp-up plan............................................................................ 41 Optimising user experience.................................................................... 44 Role of the universities.............................................................................. 47 User community involvement............................................................... 47 Role of industry............................................................................................. 48 MAX IV and the international niche........................................................ 51 Notes and Abbrevations................................................................................ 52


EXECUTIVE SUMMARY This report presents the strategic plans for MAX IV Laboratory for the next decade. It complements the operations budget 2019–2023, submitted to the Swedish Research Council on 30 September, 2016. It builds on the Strategy Report  1.0 written in 2013, in the middle of the construction period. Today, a few months after inauguration, and at the end of Phase I of the MAX IV project, we look into the first decade of operation until about 2026. MAX IV Laboratory is the national Swedish synchrotron radiation user facilicy hosted by Lund University. It builds on three decades of successful research and development at MAX-lab. Our mission is to enable research by providing photon-based experiments to all areas of natural sciences in which Sweden has an interest. To do so, we engage in a continuous dialogue with the user community for all aspects of development and operation. Today, MAX IV Laboratory operates three world-class accelerators and has fourteen funded beamlines. These beamlines originate from proposals by the user community and were selected in a process involving international review and the MAX IV Scientific Advisory Committee. They are the first step towards a portfolio of beamlines that will respond to the requests of the entire user community. The next phase of beamlines will complete this portfolio and fully exploit the world-leading brightness and coherence of the source. MAX IV Laboratory can accommodate up to 32 beamlines. Our goal is to have 25 beamlines in operation or under construction by 2026. To achieve this it will be necessary to obtain funding for further eleven beamlines from Swedish, international or industrial sources. This report presents scientific examples driving the development of present and future beamlines. These examples illustrate what state-of-the-art synchrotron radiation experiments can contribute to a number of areas of science. Synchrotron radiation experiments can assist in the design of natural or manmade materials, can show ways to improve health and can help optimise processes and chemical reactions. With the aim to support cutting-edge science, we present a roadmap for accelerator development and a beamline ramp-up plan. For the 3 GeV ring, development will focus on further increasing the brightness. This will strengthen techniques like coherent imaging, micro-diffraction and in-operando spectroscopy. The 1.5 GeV ring will provide flexible timing modes supporting a variety of novel spectroscopy experiments. Develop­ ment of the linac will focus on determining its suitability as an injector for a future free electron laser. The existing beamlines will be upgraded to allow the inclusion of more science communities and to keep them at the international forefront. New beamlines will offer additional capabilities and add capacity for more users. Priorities will be set after consultation with existing and potential user communities and Swedish universities. MAX IV is by far the largest national user laboratory in a prosperous, but relatively small country. At the same time MAX IV is a member of the large family of synchrotron facilities around the world. In this setting MAX  IV needs to do a careful analysis and identify priority areas where impact can be generated with the resources available. To achieve this goal, MAX IV will engage in partnerships for the creation of synergies but also decide not to invest in certain areas. Primary collaboration partners are the international facilities receiving Swedish funding like ESRF and the Swedish beamline P21.2 at PETRA III. These partners complement MAX IV for very hard X-rays (> ca 40 keV) and they add capacity.

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MAX IV Strategy Report 2016–2026


To maximise its impact in science, MAX IV must consider the full chain of scientific discovery. This chain includes accelerator, optics, sample environment, detectors and data analysis. Outreach and user training are also important factors. As a research infrastructure receiving its main funding from the Swedish Research Council, MAX IV will prioritise basic academic research and the specific needs of the Swedish user community. This is expected to produce the bulk of the results and push facility development. In addition, we will also support a small number of high-risk experiments with the potential to generate major scientific breakthroughs. The successful and close collaboration with the twelve Swedish universities that have contributed to funding, and with institutions outside of Sweden, will continue. Building on this academic base we reach out to industry, opening the facility for applied research and requesting complementary funding. In order to establish contacts with the many companies not yet using synchrotron radiation, MAX IV is teaming up with the Swedish industrial institutes, trade associations and mediator companies. Data analysis and storage are becoming ever more important. MAX IV’s primary role is that of a data producer. On-site analysis to assess data quality and completeness is unquestionably a task for MAX IV. For analysis and storage, however, MAX IV will collaborate with infrastructures and universities having the appropriate capability and expertise. A key partner in this context is the Swedish National Infrastructure for Computing (SNIC). MAX IV also supports the move towards open data and open science. The new research campus at Brunnshög adjacent to MAX IV and the European Spallation Source (ESS) presents a unique opportunity to create a highly visible world-class scientific environment. While this requires concerted actions by all stakeholders and will take time to realise, the foundations must be laid today. MAX IV is actively engaged in discussions with the faculties at Lund University to assist in achieving the best possible opportunities for interaction and cross-fertilisation when they move to Brunnshög. We also encourage other universities, research institutes and companies to join the campus. The on-going dialogue with ESS will be intensified, with the aim to have a stable and seamless collaboration platform available for users when ESS opens user operation in 2023. This Strategy Report is written with input from the user community. Describing the development of a new and growing facility, the Strategy Report must be considered a living document. A full update will be issued following a comprehensive review of the facility in the middle of the next funding period, around 2021. MAX IV has recently completed the building of an X-ray source offering world-leading quality. With user operation about to start, this is the time to set directions supporting scientific discovery for decades to come. We are committed to a continuous dialogue with the community to maximise the benefit for the users. While we focus on the national academic community, we are open to international and industrial users and welcome their contributions to development and operation of the facility. With the support of our funders we will make MAX IV a hub of Swedish science and innovation and through continuous development maintain a world-leading position for the future. Lund, December 2016

MAX IV Strategy Report 2016–2026

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MAX IV Strategy Report 2016–2026


BACKGROUND MAX IV Laboratory is a Swedish national research infrastructure hosted by Lund University.1 It builds on three decades of successful multidisciplinary research at MAX-lab. Based on the experience gained there and the community built up, Sweden has realised a worldclass facility, which is now considered a role model by many other countries.2,3,4 The governance of MAX IV Laboratory was set out in an agreement between Lund University, the Swedish Research Council and VINNOVA (the Swedish Governmental Agency for Innovation Systems) and Region Skåne in 2010. MAX IV Laboratory has the status of a faculty at Lund University. It is governed by a board with members appointed by the Board of Lund University in consultation with the Swedish Research Council and VINNOVA.

MAX IV is managed by a Director, appointed by the MAX IV Board. The Director is supported by the Accelerator Director, the Life and Physical Science Directors and the Administrative Director. MAX IV Laboratory gets important advice from a Machine Advisory Committee (MAC) and a Science Advisory Committee (SAC). The Programme Advisory Committee (PAC) evaluates the user proposals for beamtime. A University Reference Group (URG) and an Industrial Reference Group (IRG) advise management on the collaboration with the academic and industrial sector respectively, as schematically illustrated in Figure 1.

MAX IV Board

MAC

SAC

PAC

URG

IRG

Legend orders MAX IV Management

reporting advise

Figure 1. Governance structure of MAX IV Laboratory

Directors and board of MAX IV Laboratory. From left: Tomas Lundqvist, Life Science Director; Hans Hertz (Chair), KTH Royal Institute of Technology; Caterina Biscari, ALBA Synchrotron Light Source; Bo Brummerstedt Iversen, Aarhus University; Marianne Sommarin, Umeå University; Andrew Harrison, Diamond Light Source; Lena Claesson-Welsh, Uppsala University; Christoph Quitmann, Director; Anna Sandström, AstraZeneca; Jesper Andersen, Physical Science Director; Kristina Nilsson, union representative. Absentees: Peter Andersson, Administrative Director; Pedro Fernandes Tavares, Accelerator Director; Richard Neutze, Göteborg University

MAX IV Strategy Report 2016–2026

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MAX IV Laboratory is available to the user community through peer-reviwed applications. The criteria for obtaining beamtime are scientific excellence and feasibility of the proposed research project. Access is free of charge for users publishing the results in the open literature. A large and dedicated user community has developed around MAX-lab over the last 30 years. The historical growth of the user community of MAX-lab (MAX I–III) is shown in Figure 2. This development shows how the community has increased in both number and diversity. In the beginning MAX-lab was used by around 100 scientists per year, almost all being physicists. When MAX II opened in the second half of the 1990’s, hard X-rays became available, providing new possibilities for research in chemistry and life science. With the new opportunities offered by MAX IV, the user community will further increase in diversity and size and communities that were capacity- or capability-limited at MAX-lab are expected to grow. In 2026 we expect close to 3 000 users per year. Assuming the beamline ramp-up plan in this document the operations budget for 2019–2023 has been determined and submitted to the Swedish Research Council (September 2016). This budget, together with the operations costs from 2014–2018, are shown in Figure 3. Amounts shown for 2014 and 2015 include

Figure 2. Development in the number of users per year at MAX-lab. Note the continuous increase over almost three decades and the increase in user diversity upon opening of the MAX-II ring 1995.

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the cost of operation of the beamlines and accelerators at MAX-lab, which was closed down end of 2015. The operations cost for the years 2014–2018 is fully covered by a joint funding decision from the Swedish Research Council and Lund University (December 2013). From 2016 and on, the operations cost increases gradually reflecting the increasing number of beamlines going into operation. The MAX IV facility consists of a 3 GeV storage ring, a 1.5 GeV storage ring and a linear accelerator (linac) that serves as a full-energy injector to the rings and also as the source for the Short Pulse Facility. The 3 GeV ring is based on a novel multibend achromat (MBA) design5 developed by researchers at MAX-lab, providing world-leading emittance (0.3 nm rad) for moderate investment cost. Both rings are designed to serve a large number of users with high brightness beams tailored to the users’ needs. A basic underlying strategy of the MAX IV design is to focus each accelerator on a specific need. Thus, while the 3 GeV ring, 528 m circumference, aims to provide high brightness hard X-rays up to about 40 keV, the 1.5 GeV ring, 96 m circumference, is optimised to meet the needs for softer radiation, from 5–1000 eV. Moreover, the linear accelerator is equipped with bunch compressors providing ultra-fast X-ray pulses (100 fs) by spontaneous

Figure 3. Number of beamlines in user operation and operation budget for 2014-2023. 2014 and 2015 shows the situation at MAX-lab.

MAX IV Strategy Report 2016–2026


emission in the Short Pulse Facility. Furthermore, this linac also allows a future upgrade to a free electron laser (FEL) The ultra-low emittance of the 3 GeV ring will allow focusing of the photon beam to sub-micron spot sizes while maintaining the low divergence necessary for diffraction and other scattering experiments, an important requirement in the ever-increasing field of nanoscience. Figure 4 shows a comparison of the electron source in the MAX II ring (left) and the new 3 GeV ring (right). At MAX II it was difficult to collect the entire beam whereas the lower emittance of the MAX IV 3  GeV ring allows for this. Moreover, the 3 GeV ring allows focusing of the light onto very small samples. The 1.5 GeV storage ring provides high brightness radiation in the spectral region between 5–1000 eV and will mostly serve the large and successful electron spectroscopy community that built the reputation of MAX-lab. The MAX IV facility can accommodate up to 32 beamlines. Our goal is for 25 beamlines to be operating or under construction by 2026. The beamlines can serve a broad range of scientific fields from life science, chemistry, physics, environmental science, engineering and materials sciences, to cultural heritage. MAX IV will support basic research, education,

innovation and industrial research. The scientific focus of all beamlines is determined in close collaboration with the user community The construction of beamlines at MAX IV started with seven beamlines for which the Knut and Alice Wallenberg Foundation (KAW) and twelve Swedish universities (Chalmers University of Technology, Gothenburg University, Karlstad University, Karolinska Institutet, KTH Royal Institute of Technology in Stockholm, Linköping University, Luleå University of Technology, Lund University, Stockholm University, Swedish University of Agricultural Sciences (SLU), Umeå University and Uppsala University) provided funding. The fact that the universities jointly contribute to the funding shows their strong involvement and dedication. In 2012 Estonia and Finland funded the construction of the eighth beamline, FinEstBeaMS, underlining the commitment of researchers from these two countries to the progress of the MAX IV Laboratory. These first eight beamlines constitute the Phase I beamlines. In 2013, KAW funded the transfer of the SPECIES beamline from MAX-lab to MAX IV. The Swedish Research Council provided additional funding for both the transfer of two beamlines, MAXPEEM and FlexPES, and for two new beamlines, CoSAXS and SoftiMAX. In 2016, funding for the DanMAX beamline was secured by a

Figure 4. Electron source size of the previous MAX-II 1.5 GeV ring (left) compared to the new MAX IV 3 GeV ring (right). The much smaller source size, divergence and aspect ratio of MAX IV enable nano-focusing or collimation to an unprecedented level.

MAX IV Strategy Report 2016–2026

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consortium of Danish universities and regions. These six beamlines represent Phase II. The currently funded beamlines are shown in Figure 5 and listed in Table 1. The beamlines presently operating or being built originate from bottom-up proposals by the users. In a consolidation process the original proposals were further developed and partially merged. This assures that each beamline serves the users’ needs and has a sufficient user base to be successful.

7 24 3.4 GeV Linac

9 10

Because of the superior properties of its sources, MAX IV offers new opportunities for many fields of science that have not used MAX-lab or even other synchrotron radiation sources in the past, but have a big impact on societal challenges. The scientific examples in this report feature some of these new opportunities that can broaden the user community and allow new fields of science to profit from the investment.

11 8 1.5 GeV

23 1

13 6 22

25 5

21 3 GeV

18

2

14

17 Funded beamline

M Unfunded beamline (2017)

N Free Electron Laser (FEL)

15 4

12

20

3

16 19

Figure 5. The MAX IV facility showing the three accelerators and the 14 currently funded beamlines. Numbers correspond to those in Table 1.

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MAX IV Strategy Report 2016–2026


Table 1. Currently funded beamlines at MAX IV. Numbers correspond to those in Figure 5. Beamline

No.

Accelerator

Technique

Balder

3

3 GeV

Hard X-ray absorption and emission spectroscopy (XAS, XES) and X-ray diffraction (XRD) with emphasis on in-situ and time resolved studies

BioMAX

4

3 GeV

Macromolecular crystallography with a high degree of automation and remote user access

Bloch

7

1.5 GeV

Angle resolved photoelectron spectroscopy (ARPES) including spin resolution (SPIN-ARPES) for studies of the electronic structure of solids and surfaces

CoSAXS

12

3 GeV

Small and wide angle X-ray scattering (SAXS, WAXS) and coherent techniques for soft matter and bio materials

DanMAX

14

3 GeV

Powder diffraction (XRD) and tomographic imaging (XTM) of hard (energy) materials

FemtoMAX

1

Linac

Time-resolved hard X-ray scattering (XRD) and spectroscopy (XAS) methods for studies of ultrafast processes

FinEstBeaMS

8

1.5 GeV

Electron spectroscopies and luminescence methods for studies of low density matter and solid.

FlexPES

11

1.5 GeV

Soft X-ray spectroscopies for studies of low density matter and solids

HIPPIE

6

3 GeV

Near ambient pressure photoelectron spectroscopy (XPS) on solids and liquids

MAXPEEM

10

1.5 GeV

Photoelectron microscopy for investigation of surfaces and interfaces

NanoMAX

2

3 GeV

Imaging with spectroscopic and structural contrast techniques on the nano scale

SoftiMAX

13

3 GeV

Scanning transmission X-ray microscopy (STXM) and coherent imaging methods

SPECIES

9

1.5 GeV

Resonant inelastic X-ray scattering (RIXS) and near ambient pressure photoemission

Veritas

5

3 GeV

Resonant inelastic X-ray scattering (RIXS) with unique resolving power and high spatial resolution

MAX IV Strategy Report 2016–2026

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MAX IV Strategy Report 2016–2026


VISION – MAX IV LABORATORY IN THE YEAR 2026 Perspective from which this Vision is written: In the year 2026 MAX IV will have been in operation for a decade. Given that the typical life of an accelerator-based research infrastructure is 20–25 years, MAX IV will have reached about half of its lifetime by 2026 – the right moment to reflect on where the facility is, how it got there, and where it should be within the next decade. In 2026, MAX IV is a highly successful national research infrastructure. Due to its high brightness beams covering vacuum UV, VUV and X-rays, MAX IV is world-leading in some areas and worldclass in all others. Strategic alliances with Swedish universities across the entire country, research institutes and other partners have built a large and diverse academic and industrial user community. Scientists use the facility as an integral part of their research portfolios. In a proactive and transparent process, MAX  IV has secured long-term financing from the main funders covering the basic operation cost and a balanced suite of sixteen beamlines focusing on Swedish needs. In a process supported by the government, MAX  IV and scientists in neighbouring countries have secured the funding necessary to build and operate five complementary beamlines, serving the needs of researchers from these countries while being open to Swedish and international scientists. In this process MAX IV’s proactive role in EU-funded projects and as an international coordinator between light source facilities has been an important asset. With support from VINNOVA, MAX IV has established industrial liaison offices covering the whole country and all relevant industrial sectors. Together with the Swedish universities and the Swedish Research Institutes (RISE), a stable network has been formed, unlocking the unique opportunities of MAX  IV for industry via a multitude of access modes. This network has provided funding to allow the building and operation of four additional beamlines. The impact of MAX IV is evident in the strong academic and industrial user community that is also actively engaged in decisions on future beamlines and upgrade programmes. The number of users visiting MAX IV has almost tripled as compared to the last years at MAX-lab. Every year more than 500 scientific papers and almost 100 PhD-student theses

MAX IV Strategy Report 2016–2026

based on work done at MAX IV are published. The MAX IV capabilities are complemented by other European facilities that are funded by Sweden such as ESRF, EUXFEL and PETRA III. MAX IV is actively collaborating with leading facilities worldwide to push instrumentation and enable science. The start of the ESS user programme in 2023 has brought previous collaborations in education, training, scientific software and planning for Science Village Scandinavia (SVS) to fruition. Coordinated calls for beamtime, joint courses for academia and industry, data analysis resources and support laboratories take advantage of these synergies. Over the years, several departments at Lund University have partly relocated to SVS to be in direct proximity to MAX IV and ESS. Both parties profit from the proximity via mutual exchange of expertise and people. This has inspired other universities to increase their presence at SVS. Through the initiative of scientists at the Swedish universities, the science case for a soft X-ray laser (SXL) beamline at the linac has been made. This can be regarded as the first step towards realisation of a free electron laser (FEL), which has been part of the MAX IV design concept from the very beginning. Such X-ray lasers will soon provide the Swedish FEL community with a world-class source. A major upgrade of the facility, driven by the users’ needs, is on-going and will allow the storage rings and beamlines to stay at the international forefront. The upgrade aims to deliver top science and societal impact by optimising the entire value chain, from the source to data analysis. It is based on the experience and technology developed during the first decade of operation and builds on the demonstrated strengths as well as anticipating the evolution of the photon science field worldwide.

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Looking back, key factors to success during the first decade of operation were: • Reliable, safe and cost effective operation of all aspects of the facility. • Intense and proactive collaboration with Swedish universities as well as leading groups from abroad and from industry. • Focusing on the scientific fields where Sweden has an interest and where MAX IV can have an impact by exploiting its unique features: brightness and coherence. • Strategic recruitment by Swedish universities as well as academic affiliations for selected staff at MAX IV. • Excellent staff, who enjoy the interaction with users and are motivated by the opportunity to work in a world-class environment. Many of them are successfully pursuing in-house research and development projects, and receive external funding for this. • Competent support for users, before, during, and after the experiment, ensuring that experiments result in scientific answers. MAX IV staff often builds bridges to external experts, sharing expertise and augmenting resources. Results of these collaborations are published jointly.

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• Proactive training and education activities to broaden the user community in academia and industry, and train the next generation of synchrotron scientists. • A careful balance between the few pioneering experiments using and pushing the ultimate performance of the facility, and the many experiments where relatively standard measurements provide the answer to frontline scientific questions. • Early implementation of a data policy taking into account national and international standards in response to the increasing expectations for open science by providing the scientific community with open data after an embargo period. • Operations and investment funding at a level, and with the predictability and flexibility needed, to build and maintain a divers and strong user community. • Regular reinvestments into upgrades to retain the value and competitiveness of the facility. • An internationalisation strategy jointly pursued by the government, the funders, and the facility. • Communication with the research community, the funders, and outreach to the general public explaining the opportunities and describing the impact of MAX IV in the past, present and future.

MAX IV Strategy Report 2016–2026


WHAT OTHERS THINK 1. Where do you see MAX IV having the greatest impact in the next ten years? 2. How will MAX IV influence what you do?

Francesco Sette Director General European Synchrotron Research Facility

Joel Mesot Director Paul Scherrer Institut

1. By introducing new technologies MAX IV will revolutionise the field of synchrotron radiation. In all likelihood, the facility will have its biggest impact in the biomedical field, as a wide range of imaging methods will provide insights of unprecedented details from atomic to whole tissue level. 2. With its Swiss Light Source SLS, the Paul Scherrer Institute is a leading figure in the field of synchrotron radiation technologies since more than 10 years. Our goal is to maintain both our scientific and industrial competitiveness in key sectors such as biomedicine, food processing and advanced electromechanical devices. Therefore, PSI - as a member of the Domain of the Swiss Federal Institutes of Technology - is planning the development of a high-performance synchrotron source capable of surpassing MAX IV to be operative in 2024.

1. MAX IV is paving the way to a major revolution in synchrotron science and its footstep is being followed by many other synchrotron facilities, some of them already under construction (SIRIUS in Brazil and ESRF in France). It is therefore mandatory to ensure that MAX IV can rapidly address the best scientific issues and fully benefit from its time lead. Consequently, MAX IV should have the resources necessary to implement an aggressive plan for a rapid and efficient exploitation of its source: this means investment capacity to construct forefront beamlines and instruments and resources to attract the best scientists to construct, operate and maintain such new beamlines. 2. I expect that the best synchrotron scientists in the next years will queue to use MAX IV and the ESRF exploiting the complementarity between these two exceptional and unique facilities to provide complete answers to their research programs. ESRF and MAX IV have a long-standing collaboration, and I am convinced that we will continue to strengthen this.

Ulrika Lindmark CEO Science Village Scandinavia

John Womersley Director General European Spallation Source

1. From a Science Village perspective, the biggest impact of MAX IV will be the presence of the scientists using our service facilities and the scientific infrastructure at Science Village. 2. MAX IV, together with ESS, are the basis for our work. Our main goal is to provide MAX IV and ESS with everything needed outside the facilities. We have developed a good knowledge about what is needed from a service perspective – guest house, restaurants etc. – and we are working on specifying the scientific needs the facilities have at Science Village. Beside this we are trying, together with the facilities, to find business models as well as financing for the scientific infrastructure.

1. The innovative accelerator design of MAX IV is already having a huge impact on the plans of other light sources across the world because it promises much higher brightness beams. The next ten years will demonstrate the science impact of this new generation of extremely high brilliance light sources on fields from biomedicine to engineering. 2. As Director General of ESS, I will work with MAX IV and the other regional stakeholders to foster and develop an innovation ecosystem in Lund centred on the huge science and technology potential of these two world-class facilities.

MAX IV Strategy Report 2016–2026

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MAX IV Strategy Report 2016–2026


CURRENT & FUTURE SCIENCE The great strength of MAX IV and other synchrotron radiation facilities is their ability to serve a large and very diverse user community, providing insight into questions ranging from the scale of individual atoms to cultural artefacts, from fundamental physics to industrial processes. To do this in the best and most cost effective manner, MAX IV needs adequate resources and will focus on the scientific fields where Sweden has an interest and where MAX IV can have an impact through its unique features: brightness and coherence.

MAX IV Strategy Report 2016–2026

As a research infrastructure, MAX IV needs to balance three complementary goals: • cutting-edge experiments pushing the limits of the facility for a few users • relatively standardised measurements giving relevant scientific answers to hundreds of users • method development pushing the frontiers The key to balancing these goals is close communication with the users and synergistic collaborations with the universities.

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Science examples In addition to providing X-ray beams of unique quality for world-leading science, MAX IV has the ambition to add as much value as possible to research and innovation in Sweden. To illustrate this ambition, we have selected nine areas of science that we believe illustrate well how MAX IV can support research at Swedish universities and other research organisations. Most of them also address the societal challenges detailed by Horizon 20206 and can contribute to national initiatives like the Swedish innovation partnership programmes.7 We have chosen to give nine specific examples of on-going or planned research that can be realised if the beamline ramp-up plan described in this report is accomplished. Environmental Science - understanding the environment and solving its challenges Environmental Science is an area where MAX IV can make contributions to directly address some of the societal challenges defined by the EU,6 namely climate action, environment, resource efficiency and raw materials. One major challenge for the world population is access to clean water, and if not handled today or in the near future this could lead to billions of climate refugees. Synchrotron techniques have already proven their ability to significantly contribute to progress within both fundamental and applied environmental science, from fundamental knowledge of phenomena and processes at the molecular level, to applied knowledge, such as development of strategies for the restoration and cleaning of contaminated areas. Progress within molecular environmental science will have a major impact on development of much needed predictive models and allow for better risk assessments. The sheer breadth of science undertaken in this field, makes most of the MAX IV beamlines and their

unique spatial and temporal resolution highly relevant. Of particular value is the ability to do non-destructive spectroscopy, X-ray diffraction and multiscale imaging in three or four dimensions, e.g. to monitor in-situ processes in molecular detail over time. A grand challenge for the 21st century is to predict how the Earth’s ecosystems will respond to climate change. The role of the terrestrial carbon cycle in this is critical, as it regulates atmospheric carbon dioxide, but our basic understanding of the coupled biological and chemical processes controlling the stability of soil organic matter (SOM) is very limited. In an effort8 that combines spectroscopic, scattering and imaging methods based on conventional, synchrotron and neutron sources, the structure, composition and heterogeneity of SOM and its interaction with the biotic and abiotic environment, are characterised. This allows the study of dynamic behaviour during decomposition. One example is the characterisation of the contact zone between fungal hyphae and SOM constituents. Mycelium of a fungal culture was allowed to colonise thin films where model compounds representing the major compound classes in SOM had been deposited. Decomposition of the organic molecules was observed as a zone around the hyphal tips. This study used a range of different techniques such as Infrared Micro-Spectroscopy, Small Angle X-ray Scattering (SAXS) and Scanning Transmission Soft X-ray Microscopy (STXM). Figure 6 shows how STXM can be used to visualise the exopolysaccharide (EPS) layer surrounding the hyphal tips of the fungus Paxillus involutus.8 This technique will become available at the SoftiMAX beamline at MAX IV.

Beamlines related to environmental science Balder

MedMAX

FinEstBeaMS

SoftiMAX

FlexPES

SPECIES

ForMAX

Veritas

HIPPIE

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Figure 6. Visualisation of an EPS layer surrounding the hyphal tips of P. involutus using STXM (Picture curtesy of Prof. M. Obst and Dr. M. Op De Beeck)

MAX IV Strategy Report 2016–2026


Energy materials – converting and storing energy Modern society relies on conversion of energy into forms suitable for fabrication of materials and goods, heating and lighting, and transportation. Storing energy is equally important, as energy storage is a prerequisite to decouple production and consumption of energy both in time and in space. Hence in a future that must increasingly rely on renewable and clean energy sources, the importance of energy conversion and storage technologies will be even more pronounced than today. Most such technologies make use of advanced materials where properties and structures ranging from the atomic to the mesoscopic scale provide the required functionality. How they achieve their function and how they can be synthesised are keys to designing new materials for future needs. This necessitates understanding of these materials on all length scales. Technologies, and materials systems, used in energy conversion and storage span over a very wide range. Here we give two examples. Direct conversion of solar energy into electricity is expected to be a major provider of electricity for the future. Nano-technology has shown great promise for producing very high efficiency photovoltaic devices, e.g. devices based on nano-wires. X-ray methods, in particular nanometre scale imaging with structural, chemical and electronic structure sensitivity, provide invaluable tools for characterising all aspects of such devices as well as for understanding and improving their synthesis. For other types of photovoltaics, e.g. dye-sensitised solar cells, organic photovoltaics and organometallic perovskites, there is a need for improved understanding of fundamental charge creation and transfer processes within molecules and clusters, across surfaces and interfaces, and within materials. In particular X-ray spectroscopic and time-resolved methods applied to molecules, clusters and solids will contribute to this improved fundamental understand-

ing. Finally, MAX IV beamlines will also contribute tools for understanding fundamental processes in another important class of photo-chemical devices where solar energy is converted into chemical energy in the form of various molecules, like hydrogen and methane. Batteries with high power density and durability are central to storage of electricity, for instance when it comes to using electrical vehicles for transport. Here lithium-ion batteries present a very prominent technology. Every time such a battery is charged, or discharged, the electrode materials undergo phase transitions between the lithium-rich and lithium-poor phases which leads to micro-structural changes. The charge/discharge cycles also result in significant changes of the interfacial composition at the electrode/electrolyte interface. These changes are of vital importance for the stability, efficiency, and lifetime of the battery and, due to their dynamic nature, they must be characterised during battery operation at charge/discharge rates similar to real-life conditions. In-operando X-ray diffraction, with or without spatial resolution, will be invaluable for investigating dynamic changes during battery operation of e.g. lithium content in the electrode material, structural phases, particle sizes and induced strains. The high flux and brightness at MAX IV will facilitate studies with improved temporal and spatial resolution. Core level photoemission either in-situ or ex-situ can provide vital information on interface phenomena and composition of importance for e.g. future use of silicon as electrode in lithium-ion batteries. Such studies will benefit significantly from the improved flux and brightness at MAX IV as well as possibilities for in-situ studies in the presence of electrolyte layers.

Beamlines related to energy materials DanMAX

MAXPEEM

DiffMAX

NanoMAX

FinEstBeaMS

SoftiMAX

FlexPES

SPECIES

HIPPIE

Veritas

iMAX

MAX IV Strategy Report 2016–2026

Figure 7. Diffraction pattern collected at different times during the first in-situ discharge/charge cycle of Li0.5Ni0.25TiOPO4 vs. Li/Li+. The discharge is between 0 h to 10.5 h, after which the sample is being charged.9

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The example in Figure 7 shows how in-situ and in-operando X-ray diffraction under charging/discharging conditions has been used to reveal the structural transformations in Li0.5Ni0.25TiOPO4 during electrochemical lithiation.9 Two new phases have been observed during the first lithiation: a monoclinic lithium-rich phase and a limited long-range order phase. The monoclinic phase was determined to be held together by a network of corner sharing titaniumoxygen octahedra and phosphate ions with disordered nickel-lithium channels. Life science – multiscale visualisation of life from atoms to anatomy Despite huge technological and Nobel Prize-winning scientific advances, we still have a relatively poor understanding of many of the fundamental biological processes, interactions and in particular large and complex biological structures found in living organisms. This is particularly true for more complex organisms, such as animals and plants, but largely holds also for simpler organisms, as well as viruses. This lack of detailed understanding definitely hampers many ar-

eas of biological science, from drug discovery, over implant design to palaeontology and evolutionary biology. However, it also provides a true opportunity for synchrotrons to play a major role in biology, as several rapidly evolving imaging techniques, such as X-ray phase contrast, can provide high resolution and high contrast images even for soft tissues at tolerable radiation doses. Synchrotron-based techniques can provide new fundamental insights across all areas of biology by providing superior quality images of supramolecular complexes, cells, tissues, and living organisms in three and four dimensions. This offers an opportunity to expand the life science community at MAX IV. Acute respiratory distress syndrome (ARDS), or shock lung, is a medical condition occurring in critically ill patients characterised by widespread inflammation in the lungs as a result of impaired gas exchange within the lungs at the level of the microscopic alveoli. The syndrome is often associated with patients in respiratory treatment and a high mortality rate from 20% to 50% depending on underlying conditions such as disease and age. MAX IV is part of an international team10 that is de-

Figure 8. Synchrotron X-ray tomographic microscopy images of a young rat lung. The whole organ (left) acquired in 0.5 s with 11 μm voxel size. The inserted cylinder illustrates the region of scan with the voxel size of 3 μm shown in the middle and right image.10 The high resolution tomographic images (middle and right) contain large airways, alveoli, blood vessels and two rib bones. On the right the size distribution of the airways (including alveoli) is colour coded. Darker colour means larger structure. The red colour corresponds to structures of 30 μm diameter.

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veloping advanced protocols to study the mechanics and effects of forced ventilation at an unprecedented spatio-temporal resolution based on studies at the Swiss Light Source and ESRF. This is in many ways a pioneering project. Not only have novel imaging methods been established and optimised, but smart quantitative tools are also developed for morphological and topological analyses of high-resolution time-resolved 3D lung images. First results are shown in Figure 8.

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At the current state of technology, synchrotron X-ray tomographic microscopy appears to be a unique tool to facilitate a comprehensive understanding of the dynamics of lung microstructure during respiration. It is realistic to foresee that such an insight into lung physiology would have an impact on clinical practice too. In an effort to build a broad community for biological and biomedical X-ray imaging in Sweden, MAX IV and scientists associated with us have initiated a number of ground-breaking studies, including studies on the effect of diabetes on growth of nerve fibres, heart infarction observed at the cellular level, bone biology and effects of implants, vascularisation of tumours. Similar techniques have allowed the study of other fields such as water uptake and microarchitecture of seeds. We can also see a large potential for other areas such as the characterisation of the diversity of microbial communities and mineral phases within biofilms. Health – prevention and novel therapies We still lack effective and/or affordable therapies not only for the most common and severe diseases, such as chronic obstructive pulmonary disease (COPD), diabetes, Alzheimer’s disease and many types of cancer, but also for a number of conditions and injuries in the musculoskeletal system, like osteoarthritis and nerve injuries. MAX IV can, through its many imaging techniques, contribute to a more detailed understanding of the origin, manifestation and healing of disease. In addition, the facility can, through its world-leading diffraction and scattering beamlines, play a leading role in identifying and/or optimising the molecular probes that are key for preclinical research. The most promising of the studies can be further developed into drugs that can prevent, cure or modulate disease. Using macromolecular crystallography (MX) the BioMAX beamline at MAX IV can already today provide atomic resolution models of proteins in complex with lead molecules to support chemical biology and

drug discovery programmes. MX will, for the foreseeable future, remain the only technique that can provide the resolution and throughput necessary to support intense and challenging chemistry programmes. This will be particularly true for projects that rely heavily on structural information, such as fragment-based approaches that are increasingly used for targets that respond poorly to drugs, in both academia and industry. Structural information is mandatory for the discovery, and optimisation, validation and quality control of the increasingly important biopharmaceuticals, such as antibodies for which MX remains the ultimate tool to map epi- and paratopes. Bio-SAXS has successfully been used to support design and formulation of proteins, as exemplified by the new generation of insulins from Novo Nordisk,11 work partly done at MAX-lab. The CoSAXS beamline at MAX IV will dramatically improve the quality and throughput of projects to the benefit of the recent Swedish investments in biologics.12 MAX IV can also be of support in the equally important and challenging formulation step. Administering the drug to the patient can present challenges relating to particle size and effects caused by polymorphism, solubility and oxidation of the drug. A combination of diffraction, spectroscopy and imaging techniques can be employed to address these challenges. These techniques can also be used to investigate micro- and nanostructures used for improved drug delivery technologies such as slow release, encapsulation and more novel systems such as nanoparticles. Scientists at AstraZeneca used structure based methods to develop AZD3293, currently the best in class compound for inhibition of beta secretase

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Figure 9. Protein crystallography was used to identify the binding modes of first generation of fragments that led to the development of AZD329313

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(BACE). Inhibiting BACE may slow down or even stop Alzheimer’s disease. A single small, weakly binding fragment, shown in Figure 9, was identified by Nuclear Magnetic Resonance (NMR),13 and through intensive use of structural information (MX) from a large number of high resolution structures and advanced modelling techniques,14 one of the most promising drug candidates for Alzheimer’s disease was developed. After encouraging results in Phase I and Phase II clinical studies, AZD3293 has now moved into Phase III studies.15 Novel materials – properties by design Finding novel material with specific properties not naturally available is a requirement for meeting many of the challenges our society is facing. Examples of such materials are light-weight, yet rigid fibre composites, polymers with controlled size and fraction of crystallinity, electronic materials for use in lighting devices or solar cells, and building materials combining ecological aspects with high mechanical stability. In Sweden there are many strong groups designing such materials. They use polymers or bio-molecules, design novel semiconductor and magnetic materials, or study the use of nano-cellulose to name a few examples. Such materials are not perfect periodic crystals, but have relevant structure on all length scales, from the atomic to the millimetre scale. Their fabrication requires controlling change, such as self-assembly from solution, crystallisation or polymerisation out of liquid or gaseous phases, sometimes even chemical reactions at elevated temperatures. All of this necessitates studying materials far from perfect crystallinity as well as dynamics happening on spacial scales of atoms up to millimetres. These materials and processes must be studied in-situ with high spatial and chemical resolution. For this, X-ray methods are uniquely suited. A combination of small- and wide-angle X-ray scattering

(SAXS and WAXS) gives access to structures ranging from the Ångström (Å) to the micrometre scale. Phase contrast X-ray tomographic imaging (XTM) provides absolute electronic density in three dimensions with sub-micron resolution on millimetre-sized samples and can be combined with in-situ environments. Using coherent X-rays, dynamics on the nanometre to micrometre length scale can be studied. The socalled speckle pattern is a fluctuating interference pattern, reflecting the exact spatial arrangement of the scatterers at the time of illumination and a spatial distance given by the scattering vector in the disordered sample. In typical SAXS experiments this scattering vector ranges between approximately 1/μm to 1/nm. Measuring the time evolution of such speckles gives information about the dynamics in the system. The unique advantages of MAX IV are the high brightness and the concomitant high coherence. This allows the examination of smaller samples in WAXS, while in SAXS larger structures become accessible (ultra-SAXS). The high coherent flux gives faster phase contrast imaging at higher resolution and sensitivity. One example is the crystallisation of liquid-phase polymers. Controlling the fraction, size and orientation of crystalline regions will in this case allow stronger fibres to be made without increasing their weight

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Figure 10. Top row: Sketch of a polymer showing the backbone as a long chain, in a fully disordered liquid phase (a), a partial crystalline phase (b), or in a mostly crystalline phase (c). The transition between these regims can be controlled by external parameters like temperature or solvent content. Bottom row: Combined SAXS (left) and WAXS (right) patterns from cellulose fibres spun from solution. The anisotropic SAXS pattern (left) reflects the anisotropic colloidal structure of the fibres. The wide angle pattern, WAXS (right) confirms the partly crystalline structure of the fibres.16

MAX IV Strategy Report 2016–2026


or using bio-based materials rather than synthetic polymers. Figure 10, top row, shows the schematic of a polymer crystallising out of the liquid. In the liquid state (a), the polymer chain is fully disordered and thus shows no long-range order. As crystallisation proceeds (b), crystallites develop. Their periodic structure gives rise to wide angle scattering (WAXS) at wide (10–30°) angles, while their size can be determined from the SAXS experiments. The crystal orientation can be obtained from the WAXS patterns. (Figure 10, bottom row, right). Using coherent illumination at different time intervals gives snapshots about the exact (non-averaged) polymer distribution at each time. Combining WAXS with SAXS gives access to the relevant length scales, from interatomic spacing (few Å) along the polymer backbone to crystallite size (micrometres). Doing this with coherent illumination and as a function of time yields information on the dynamics on all such length scales from vibrations of the polymer chain to diffusion of domain walls. This will provide insight into the mechanisms relevant for the formation and agglomeration of crystallites and thus allow control of this process. The coherence of the X-ray beam can also be utilised in the study of structure. Coherent diffraction imaging (CDI) will be particularly useful in the characterisation of semi-crystalline fibres (Figure 10). The coherent diffraction around the Bragg peaks report on crystallite dimension and shape and will allow for a detailed structural characterisation of the fibres on the 5–10 nm length scale. Basic research – improving fundamental knowledge and methods for understanding nature Most of the revolutions in mankind’s understanding of nature have been based on discoveries that were Beamlines related to basic research BioMAX

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considered basic research at the time and which were made utilising state-of-the art methods. Many such scientific revolutions have subsequently resulted in breakthroughs and developments of new technologies having a major impact on society. Basic research in combination with frontline methods will continue to have a similar role in the future. Developments in all technologies will increasingly rely on atomic level fabrication of materials having tailored functions. This requires increased understanding of processes on the quantum level and an ability to manipulate them. A list of such materials would include the novel class of topological materials, graphene, novel magnetic materials, biomimetic materials and in general all nano-structured materials.17,18 Understanding the electronic structure, including charge migration and its coupling to geometrical structure and dynamics, is key to understanding the electronic properties of a material and ultimately being able to manipulate them. Likewise, increasing our understanding of nature, and in this way increasing our ability to, for instance, mitigate effects on climate and environment, demands an improved understanding of phenomena in atomic, molecular, and cluster science. Strong research programmes exist at Swedish universities directed towards these classes of novel materials as well as towards atoms, molecules and clusters. Over the past many decades, synchrotron radiation methods have proven to be invaluable tools for such investigations. The MAX-lab atomic and molecular science community led the development of resonant scattering techniques that revised our understanding of electronic dynamics in matter. These methods were carried over to hybrid and layered systems. Breakthrough research using soft X-rays is relevant for planetary and atmospheric chemistry, combustion research, radiation chemistry and for solution chemistry. Extraordinary possibilities exist at MAX IV beamlines for high energy and/or angle resolved electron spectroscopies (ARPES) including spin-resolution, resonant in-elastic X-ray spectroscopies (RIXS), and ultrafast pump-probe scattering and spectroscopy studies of solids, liquids and gases. In particular combining spatial resolution at the nanometre level with the spectroscopic capabilities will provide extraordinary tools, as the properties of many of these exotic materials are intrinsically connected to structure on the nano-scale. MAX IV beamlines provide opportunities not only for measurements using established methods

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Figure 11. Topological crystalline insulator states in Pb1−xSnxSe19

but also for continued development of novel methods. Such method development is well aligned with, and will benefit significantly from, the established strong theoretical expertise at Swedish universities. The example in Figure 11 shows first angle resolved photoemission spectroscopy measurements of the electronic structure of a topological crystalline insulator.19 These are recently discovered materials where the topologically non-trivial bulk band structure results in an insulating bulk but with symmetry protected surface states that carry persistent spin currents. In contrast to topological insulators, where the surface states are protected by time-reversal symmetry these surface states are protected by mirror symmetries and are therefore sensitive to distortions of the lattice but not to magnetic impurities.

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Catalysis – making and breaking molecules Steering chemical reactions towards a desired product and controlling their rate is of utmost importance in modern technology as well as in natural metabolism. This can be achieved by catalysis. In modern technological processes, catalysts reduce the energy and raw materials needed to produce chemicals, fuels, polymers, fertilisers and many other products as well as to reduce the amount and toxicity of unwanted rest products, like exhaust gases from combustion. Catalysis has allowed us to significantly reduce the environmental footprint of human activity and is an integral part for creating a resource-efficient and sustainable circular economy. In nature, enzymes, acting as protein-based catalysts, play a vital role in breaking down molecules (catabolism) or building them (metabolism). Studying catalytic processes is indispensable for our ability to understand and optimise such reactions, whether we use them to make molecules or to break down contaminants in human cells. Issues in catalyst research range from model studies of fundamental interactions to studies of real industrial catalysts, which are often complex multi-component systems. Experimental studies address the chemical and structural state of the catalyst, reactants and products. Length scales of interest range from the atomic to the macroscopic. All of these properties may potentially change significantly under reaction conditions. Thus possibilities for in-situ and in-operando studies as well as for time-resolution are crucial. The funded MAX IV beamlines provide important tools for the large Swedish and Scandinavian community in fundamental and applied catalysis research.

MAX IV Strategy Report 2016–2026


X-ray measurements can become a breakthrough for the future.

Figure 12. Combining in-operando XAS studies with theoretical modelling allows to investigate the interplay of nanostructure and bimetallic interactions in fuelcell catalysts.20

The high brightness and flux of MAX IV allows improved chemical and structural resolution and sensitivity. In addition they allow studies with much higher time resolution or many more samples. The soft and hard X-ray spectroscopies implemented at MAX IV beamlines enable fast in-situ monitoring of the chemical state of catalytic systems ranging from model systems to industrial catalysts. Structural methods such as Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Powder Diffraction (XRD), SAXS and WAXS allow for similar (and often simultaneous) studies of the structural development of catalysts during reaction. Finally, the morphology of catalysts at different length scales and the utilisation of structural as well as chemical contrast can also be monitored. The example illustrated in Figure 12 shows how in-operando EXAFS combined with High Energy Resolution Fluorescence Detection (HERFD) has been used for understanding an ongoing catalytic reaction. The rate-determining step for the oxygen reduction reaction in fuel cell catalysis is the reduction of strongly adsorbed oxygen atoms on platinum surfaces to water. EXAFS and HERFD measurements of two different prepared forms of platinum on rhodium surfaces yield many orders of magnitude difference in reaction rates in the reduction of oxygen atoms. This can be attributed to either platinum sites in three-dimensional clusters or a flat monolayer directly attached to the rhodium substrate. Here active site design based on in-situ

Industrial processes – X-rays enlightening industry In order to stay competitive, industries need to continuously optimise and develop processes, minimise cost and maximise throughput and efficiency. Today focus is also on sustainable production, minimising consumption of raw materials and energy, as well as on creating less waste. Innovative manufacturing processes and machines also create opportunities for novel products. Optimisation and development of novel processes can benefit from MAX IV’s exceptional ability to monitor processes in-situ at the relevant time and length scales using techniques such as SAXS, spectroscopy and tomography. All these techniques can be implemented for in-situ and in-operando experiments to explore challenging physical environments, like those used in industrial production and processing. They give direct correlation between geometric and chemical structure as well as physical properties. Compared to electron microscopy, X-rays can measure much thicker and thus more realistic samples. Compared to neutrons on the other hand, they can visualise much smaller structures, like the ultrastructure of the cell wall and chemical states. Examples of important industrial processes include pulping, casting, moulding, foaming, coating, catalytic processes, mechanical testing and 3D printing. Synchrotron radiation X-ray scattering techniques are unique tools for non-destructive analysis of the structure of biomaterials such as wood. They enable in-situ investigation of structural and chemical changes upon mechanical stress and/or chemical or enzymatic treatments. Diffraction has already been used to

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b

Figure 13 Tomographic images showing the internal structure of a) native and b) steam exploded wood23. Note the mechanical rupture of the cells caused by the steam explosion as indicated by black arrows.

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study the kinetics of thermal decomposition of crystalline cellulose in spruce,21 while SAXS has demonstrated a large structural change in the cell wall occurring under physical stress.22 As part of the ForMAX initiative, we propose to investigate steam explosion of wood chips using high resolution X-ray tomography23 as shown in Figure 13. Steam explosion is an essential step in the kraft process that converts wood chips into pulp. Pulp consists of almost pure cellulose fibres and is the main component of paper. MAX IV is especially suited for such investigations since the high coherence of the source enables tomographic studies with good phase contrast from nanometre to micrometre resolution. These studies can help the pulping industry understand details of the steam explosion process and thus optimise the process for higher efficiency. Palaeontology and cultural heritage – shedding light on the past Palaeontology and cultural heritage are two areas that are rapidly expanding in their use of synchrotrons. Both benefit from the non-invasive nature of synchrotron experiments that require little or no sample preparation, thus minimising the risk of modifications or contamination in the specimen to be analysed. Compared to laboratory-based X-ray techniques, synchrotrons offer energy tunability, thus providing chemical sensitivity and controllable penetration power. In addition, the photon beams at MAX IV are highly collimated, allowing characterisation of samples down to the micro- and nanoscales. Finally, synchrotron radiation beams are orders of magnitude more intense than any laboratory source, enabling scientists to go through a sufficient number of samples to achieve statistically significant results. For cultural heritage, synchrotrons are versatile research tools that, by providing highly detailed structural and chemical information, will advance our understanding of the past and ensure that buildings, paintings and archaeological artefacts are

better preserved for future generations. The same goes for palaeontology. In studies of extinct organisms, synchrotron radiation is already playing a pivotal role by providing data on their phylogenetic position as well as on diet, development and growth. More recently a new branch of research, palaeobiology and geobiology, has emerged that combines studies of the current biota with that of ancestral fossils to answer questions about the molecular evolution and the evolutionary history of life. Swedish scientists have a leading role and have in many cases pioneered the use of synchrotrons in the field. One of the most fascinating topics in vertebrate evolution is the transition of finned fish to four-limbed tetrapods. Given the pivotal role of this move onto land, the anatomical transformations involved have been a major focus of research, not only in palaeontological studies, but also in studies of evolutionary development. A recent example of this topic, providing insights into growth patterns of the early tetrapod Acanthostega24 is shown in Figure 14. These results will provide a deeper understanding of the development and evolution of our four-legged forerunners. In Figure 14 the midshaft bone microanatomy and histology of the tetrapod Acanthostega humeri is shown. This was obtained by propagation phase-contrast synchrotron microtomography, a technique that will be made available at MAX IV.

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Figure 14. The midshaft bone microanatomy and histology of the tetrapod Acanthostega humeri obtained by propagation phase-contrast synchrotron microtomography24

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INAUGURATION DAY 21 JUNE 2016

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FUTURE DEVELOPMENT OF THE MAX IV FACILITY This chapter summarises the planned facility developments driven by the ambition to serve the user community. Our aim is to exploit the full potential of the large initial investment in the MAX IV facility. When prioritising projects we will keep the entire chain of scientific discovery in focus. Upgrades will thus carefully balance improvements of the source, the optics, sample environment and detectors, while also keeping in mind the importance of software, support laboratories and general infrastructure. Prioritisation will be done in consultation with the user community. A roadmap for developments of the MAX IV accelerators is given in the first part of this chapter. It summarises our current vision on how to best meet the present and future needs for high performance synchrotron radiation sources. Accelerator development is mostly driven by the facility. The projects have long lead times and require special knowledge only available at the facility. For this reason this report describes them in detail.

MAX IV Strategy Report 2016–2026

The future development of the beamlines is described in the following two chapters. This is an interactive process with the need to take future developments into account. It requires interaction with the users and their universities as described further on in this report. We do not list all candidates for the additional eleven beamlines that we anticipate to be in construction or operational in 2026, nor do we specify exactly how they will be funded. Planning for these beamlines need to take into account scientific discoveries and users’ needs for the future that cannot be foreseen today. We will work closely with our advisory groups to formulate a transparent and effective process for identification, prioritisation and funding of new infrastructure within MAX IV. A suggestion for the process is presented in Figure 19.

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Gap analysis Table 2 shows the results of a gap analysis, performed with the aim to identify fields or actions that MAX IV Laboratory will focus on. It also shows actions that will not be done with high priority, if at all, imposed by the limited resources forcing the organisation to focus on fields that maximise the output for input relation.

Theoretically, the MAX IV facility offers the possibility to install 32 beamlines (19 on the 3 GeV ring, ten on the 1.5 GeV ring and three on the linac). That investment and operation costs covering these many beamlines operating on a competitive level will be found in Sweden alone is not conceivable.

Table 2. Gap analysis for the MAX IV facility resulting in some things that will be prioritised (Dos) and others that will not be done (Dont’s). Prio Strength

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Exotic techniques Facilities co-funded (example: nuclear by Sweden: resonant scattering) ESRF, PETRA III

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React to Swedish Serve small user community specialised communities

Build portfolio of beamlines matching Swedish interests

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Brightness & coherence

Short pulses (< 200 ps) on the rings

Imaging Dynamics on 1–100 BESSY-VSR Spectroscopy ps scale Diffraction (small crystals, high resolution, grazing incidence)

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X-ray ≈ 1–40 keV

Energies >≈40 keV

ID-beamlines on 3 GeV ring ≈250 eV–40 keV

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ID-beamlines on 1.5 GeV ring ≈5–1000 eV

National facilities: Diamond, SOLEIL, BESSY II

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Capacity for 32 beamlines

Limited funding

Realise ≈25 beamlines Aim at filling all ports by 2026 Enlist national, international & industrial funding

Swedish users are successfully using other facilities

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FemtoMAX: Peak intensity, Ultra-fast spectrosUltra-fast science high rep-rate copy at high S/N Keep FEL as option

AMO, non-linear spectroscopy, single molecule/ particle diffraction

EUXFEL, LCLS, FLASH

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Accelerator physics R&D

Accelerator development see Road-map. Collaboration with Lund University. Educate next generation of researchers.

Collaborations with CERN, ESRF and others.

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Commercial detectors. Buy into existing development projects.

PSI, ESRF

Wigglers for energies > 40 keV

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MAX IV has thus set the goal to realise funding for 25 beamlines by 2026 through a combination of national, international and industrial sources. As a national facility MAX IV can and will react to the needs of the Swedish community and will aim at building a portfolio of beamlines matching Swedish interest. However, MAX IV cannot provide all exotic techniques for which there is not a sufficiently large user community. One such example is nuclear resonant scattering which is available at both ESRF and PETRA III, and thus accessible to Swedish users. As proven by past experience Swedish users successfully use a large number of other synchrotron facilities all over the world. The brightness and the concomitant coherence of the X-rays are properties making MAX IV unique. These properties enable imaging, high-resolution spectroscopy and diffraction on small crystals or at grazing incidence, which will be prioritised at MAX IV. To reach the high brightness, the MAX IV storage ring extends the electron bunches in the longitudinal direction, thus making the pulse duration relatively long (200 ps RMS compared to approximately 100 ps or less at many other facilities). Therefore MAX IV will not attempt to enter in science areas studying dynamics on the sub-102 picosecond time scale. These experiments can be done at other facilities. The new BESSY-VSR project at Helmholtz Zentrum Berlin is for example focusing on this area of science. The 1.5 GeV ring at MAX IV was optimised for high brightness radiation in the VUV and soft X-ray range (approximately 5–1000 eV). This required small magnet gaps and tight vacuum chambers, making the extraction of infrared (IR) radiation a challenge. Optimised IR experiments are available at other national sources such as Diamond (United Kingdom), SOLEIL (France), or BESSY II (Germany). The 3  GeV ring was optimised for X-rays from approximately 1–40 keV, using modern insertion devices (ID) one can obtain very competitive beams from about 250 eV to 40 keV. X-rays of 40  keV or more would require wigglers, which would have detrimental effects on the storage ring and all other beamlines. Consequently such wigglers will not be installed. Radiation above 40  keV is produced in high quality at ESRF and PETRA III, facilities to which Swedish users have guaranteed access. The FemtoMAX beamline provides ultra-fast X-ray pulses with an exceptionally high reproducibility and purity. This will be used to do pump-probe spectroscopy where high signal-to-noise ratio (S/N) is mandatory.

MAX IV Strategy Report 2016–2026

FemtoMAX is not competitive with X-ray Free Electron Laser (XFELs), when it comes to peak intensity or high repetition-rate, such as that offered by superconducting accelerators. Science in atomic and molecular physics (AMO) or imaging of single molecules or particles thus needs to be done at XFELS. Sweden is a member of the EUXFEL (Germany) and already today Swedish users are engaging and using LCLS (USA), FLASH (Germany) and SwissFEL (Switzerland). In the longer term however, these alternatives will probably not be sufficient to satisfy the needs of the growing Swedish community and thus the development of an FEL facility at MAX IV must be kept part of the strategy. One of the reasons why Sweden now has a world-leading facility in MAX IV is the past investment into accelerator physics research and development (R&D). Without decades of continuous work in this field, the technology jump presented by MAX IV would not have been possible. MAX IV must therefore continue R&D in this field. For this reason, this strategy report contains a detailed road map for accelerator development. R&D will be pursued in close collaboration with Lund University and an important ingredient will be to educate the next generation of accelerator physicists, who will lead development in the coming decades. Already today, MAX IV staff are very much in demand as advisors for other facilities pursuing upgrade projects copying the multibend achromat (MBA) concept pioneered by MAX IV. Such consulting and exchange will be continued not only with other synchrotron facilities, but also with for example CERN and ESS. A weakness of MAX IV is the absence of in-house detector development. Modern detectors such as hybrid pixel array detectors have allowed previously inconceivable experiments like coherent imaging. To continue to profit from detector development, MAX IV will buy commercial detectors where available, or buy into existing development projects at other facilities. PSI and ESRF are expected to be important partners in this area.

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Roadmap for accelerator development: 2016–2030 Science is the driving force for the further development of the MAX IV accelerators. The Updated Science Cases for the funded and project beamlines25 hold the guiding principles for these developments. Here, we describe how these scientific cases are translated into a strategy aimed at keeping the MAX IV accelerator-based light sources at the forefront of synchrotron science. This will provide the MAX IV user community with world-class tools for the study of matter from the atomic to the macro-level, and set the stage for the next revolutionary leap in light source performance. The roadmap is structured around each of the three accelerators making up the MAX IV facility: the 3 GeV linear accelerator (linac) and the 1.5 GeV and 3 GeV storage rings. Short and mid-term initiatives as well as long-term efforts are described. Whereas the shorter term items are expected to be funded from the operations budget and correspond mostly to fully meeting the specifications established by the MAX IV Detailed Design Report,26 longer term projects are wider in scope and represent our current perception of the path towards keeping the international lead in synchrotron-based science. Their full realisation will depend on additional investment funding. Despite the immediate focus on the realisation of the expected accelerator performance parameters and reliability, preparatory work for a future quantum leap in performance must be initiated and pursued intensely as well. This is justified on the one hand by the fast pace at which other laboratories worldwide are moving towards the implementation of even higher performance sources and, on the other hand, by the need to attract and maintain a highly qualified staff in Accelerator Physics and Engineering. In particular, young members of the team have to be promoted since they will be instrumental for the future success of MAX IV. Moreover, one should keep in mind that the time scales in accelerator development are typically rather long – on the order of 10 to 20 years from the concept to realisation (as demonstrated by the MAX IV case itself). It is therefore absolutely essential to – already now – start developing concepts and ideas for the future of the MAX IV accelerator-based light sources.

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THE INTERNATIONAL LANDSCAPE Even if the number and variety of research fields and experimental techniques that constitute the scientific justification for the use of synchrotron radiation are huge, a few underlying trends can be identified in the most advanced recent experiments which are likely to have the largest impact. In fact, there is an increasing need to study smaller samples, or parts of samples such as interfaces and defects. In parallel there is a need to study disordered materials over multiple length scales and to study materials in an environment that is close to real operating conditions. Structural, magnetic and electronic characterisation of materials, at a much faster rate than is presently possible, will enable processes to be followed in real time, or for a much larger number of samples opening the possibility to map the relationship between structure and functional properties much more comprehensively. From a light source performance point of view, the scientific needs above translate into an ever-increasing push towards brightness and coherence. The last five years have witnessed the emergence of a whole new class of light sources based on storage rings, in which an electron beam is made to circulate in the form of extremely focused bunches. The extreme focusing, which translates into ultralow electron beam emittances and consequently high brightness and highly coherent photon beams, has been the Holy Grail of light source designers for many years. Only recently, however, have technological and theoretical developments27 made it possible to achieve performance improvements of more than an order of magnitude in comparison to previous generations of these machines. The MAX IV 3 GeV ring has spearheaded this revolution in light source design, which is now being copied and extended by a number of laboratories worldwide, such as the Brazilian light source Sirius28 (under construction) and ongoing upgrades of the European Synchrotron Radiation Facility289 (ESRF) in Grenoble, France, the Advanced Photon Source30 in Chicago, USA, the planned upgrade at the Advanced Light Source301 in Berkeley, USA and several others.32,33,34,35,36,37 Figure 15 illustrates the present international trend towards low emittance storage ring designs whereas Table 3 gives more details on the performance goals and corresponding project status. Besides transversely focused beams aiming at high average transverse brightness and coherence, longitudinal coherence and

MAX IV Strategy Report 2016–2026


high peak brightness in extremely short bunches constitute critical performance parameters for a number of research fields and techniques. These are, however, best obtained from free electron lasers (FELs), driven by linear accelerators. A number of laboratories have developed and operate FELs over a wide photon energy range, which have in recent years reached into the hard X-rays shown in Table 4. Despite their unbeatable performance in peak brightness and pulse duration, FELs are likely to remain complementary to rather than replace storage ring-based source for the foreseeable future. Storage rings can provide X-rays to a much larger number of simultaneous experiments with outstanding stability as compared to FELs.

gure [worldwide landscape]. Worldwide landscape of ultralow emittance light source projects in mid-2016. This is a odified and updated version of a map published in Nature News in 2013

Diamond-II ALS-U

SOLEIL upgrade

APS-U

MAX IV PETRA IV SLS 2.0

ESRF EBS

HEPS SPRING 8-II

SIRIUS

Figure 15. Worldwide landscape of ultralow emittance light source projects in mid-2016. This is a modified and updated version of a map published in Nature News in 201338,39

fs: MAX IV Strategy Report 2016â&#x20AC;&#x201C;2026 blic Domain, https://commons.wikimedia.org/w/index.php?curid=868126s://commons.wikimedia.org/w/index.php?curid=868126 S.Reich, Ultimate Upgrade for US Synchrotron, Nature News 501, 148â&#x20AC;&#x201C;149 (2013).

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Data from 18 November 2016 with top-up at high current in both 1.5 GeV ring and 3 GeV ring

Table 3. Parameters and status of current ultralow emittance storage-ring based light sources projects Project Country Energy Circumference Emittance Status Operations (GeV) (meter) (pmrad) Start Date SIRIUS HEPS DIAMOND-II ESRF-II SOLEIL Upgrade PETRA IV ELETTRA II Spring8-II SLS-ii APS-U ALS-U

Brazil China England EU France Germany Italy Japan Switzerland USA USA

3.0 6.0 3.0 6.0 2.75 6.0 2.0 6.0 2.4 6.0 2.0

528 1 296 562 844 354 2 300 260 1 436 288 1 104 197

250 59 120 135 115 ≈20 250 140 137 65 100

Construction Design Study Construction Study Study Study Design Design Design Design

2018

2020 ≈2026

≈2025 ≈2025

Table 4. VUV and X-ray free electron laser facilities. Project FERMI Swiss FEL LCLS LCLS-II PAL FEL SACLA European XFEL Flash

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Country Italy Switzerland USA USA Korea Japan EU Germany

Photon Energy Range (keV) 0.12 – 3.0 0.18 – 12.4 0.83 – 10.3 24.8 – 0.21 1.24 – 20.7 4.1 – 19.7 0.26 – 24.8 0.024 – 0.31

Status Operational Construction Operational Construction Construction Operational Commissioning Operational

MAX IV Strategy Report 2016–2026


The MAX IV accelerators roadmap In establishing this roadmap, consideration has been given to • The needs of the Swedish scientific community as expressed through Updated Science Cases25 and extrapolations from these scientific cases over the next decade. These assumptions need to be periodically revisited in close consultation with the user community and the roadmap adjusted to a changing scientific landscape. • The opportunities opened by the present leading position of the MAX IV accelerators on the international scene and the threats represented by the large number of projects currently following the path of MAX IV and which will, in a few years, surpass its performance unless plans are made already today. • The need to focus efforts in order to optimise the use of resources.

2016

2017

2018

2019

2020

2021

Figure 16 summarises the development paths that will guide the efforts of the MAX IV machine division over the next fourteen years. The colour code indicates which items are considered part of the baseline design (orange) and which represent improvements whose funding needs to be searched outside the present operations budget (green). For all three accelerators, achieving full baseline performance40 (i.e. the performance described in the MAX IV Detailed Design Report26) as well as establishing routine user operation with high reliability is the first priority. It will constitute the main task of the accelerator group over the next few years. The indicated time frame for all other projects (beyond baseline) is at this moment a rough estimate. They will require detailed planning and a definition of funding sources before any decision for execution can be taken. In the following sections, we describe these various development projects in more detail.

2022

2023

2024

2025

2026

2027

2028

2029

2030

Achieve DDR parameters 200 pmrad: lace tuning + IDs 150 pmrad: tuning + IDs + on-axis injecon

3.0 GeV ring

Upgrade to diffraction limited source at 10 keV (10 pmrad) CDR DDR DDR Execution Execution

1.5 GeV ring

Achieve DDR parameters Timing modes Achieve DDR parameters

LINAC

Soft X-ray Laser

Baseline Hard X-ray FEL

Beyond baseline

Figure 16. MAX IV Accelerators Roadmap: 2016-2030. Projects included in the base-line design are shown in orange whereas upgrades of the existing accelerators, including a FEL and a complete replacement of the 3 GeV ring are shown in green.

MAX IV Strategy Report 2016–2026

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THE 3 GEV RING Incremental improvements The central performance parameter for the road map of the 3 GeV ring is emittance, which quantifies how tightly focused the electron beam is: the smaller the emittance, the higher the brightness and the transverse coherence of the synchrotron radiation emitted by the storage ring. Whereas previous, so called “third-generation”, light sources built in the 1990s and 2000s typically achieved emittances of the order of a few thousand pm rad, the MAX IV 3 GeV ring delivers a bare lattice emittance of the order of 300 pm rad. Theoretical work on improving the emittance of the MAX IV 3 GeV storage ring is well under way.46,47 These studies have focused on increasing the transverse brightness by reducing the lattice emittance within the existing MBA lattice. This will be achieved by changing the magnet strengths only through changes of the excitation currents in their coils while keeping the magnets as they are. This work will be continued and is ultimately expected to lower the bare lattice emittance to the level of ~250  pm  rad. At the same time, given the relatively low field (about 0.5 T) of the 3 GeV ring bending magnets, the addition of insertion devices (IDs) from new beamlines will provide a significant further reduction in emittance. In fact, combining the tighter optics with the enhanced damping from these IDs will bring the emittance down to the level of 200 pm rad. Despite the significant reduction in lattice emittance, the resulting spectral brightness improvement will be limited by intrabeam scattering (IBS) unless the stored current is lowered substantially.48 Therefore, in order to further increase the transverse coherence, an improvement of the matching between the electron beam and the photon beams coming from state-of-the-art IDs10,49,50 has been investigated. Moreover, not only incoherent but also coherent collective effects present a challenge to achieving brightness51 beyond the present design. In fact, given the small vacuum chamber diameters required in the MAX IV 3 GeV ring to obtain the high focusing gradients needed to achieve small emittances, the interaction of the beam with its own wake-fields is much enhanced compared to previous generations of machines.52 Transverse resistive-wall and mode-coupling instabilities may impose limitations on the amount of current that can be safely stored, whereas micro-

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wave instability may deteriorate the beam quality by increasing the energy spread. At MAX IV, harmonic cavities are a key ingredient in overcoming these effects and a series of theoretical studies53,54,55,56,57 have analysed potential threats as well as the effectiveness of the harmonic cavities in alleviating these problems. These studies will be extended over the next years to include the above-mentioned candidate upgrade lattices. Preliminary studies indicate that the 3 GeV ring optics could be pushed even harder, bringing the lattice emittance to about 150 pm rad. This comes, however, at the expense of a significantly reduced dynamic aperture and will require on-axis injection. Since this has to be compatible with top-up injection in order to preserve high average current in the ring, research and development on a fast pulsed magnet (kicker) that enables filling of a single bucket in the ring without perturbing neighbouring circulating bunches is required. In fact, since tighter optics come invariably with reduced dynamic aperture, such a fast kicker is also a key enabling factor for other, more radical improvements to the storage ring emittance that constitute possible longer term upgrade paths. Moreover, the on-axis injection scheme is required to allow the use of exotic IDs at MAX IV that require round apertures to offer small period length and full control of polarisation at higher photon energies such as the Delta undulator58 and superconducting bifilar undulator.59 Fast pulsed magnet designs have been proposed at various laboratories in the context of injection into light source storage rings60,61,62 beam switching at FELs63 and for extraction/injection from/into damping rings64 and colliders.65 A fast pulsed magnet is required for both off-energy top-up injection66 as well as bunch-by-bunch injection,67 techniques that could capitalise on the capabilities and flexibility of the full-energy MAX IV injector linac. Moreover, because of the 100 MHz RF system of the MAX IV rings, such a fast kicker also naturally leverages the relatively large bunch spacing in the rings, which results in more relaxed rise time requirements for the kicker and its pulser compared to other rings running at higher (350 or 500 MHz) frequencies. Major upgrade While the development paths described above hold the potential for significant brightness improvements, in the long run a more radical change will be required

MAX IV Strategy Report 2016–2026


to maintain international competitiveness. Preliminary design studies68 have explored a possible upgrade path in which a completely new machine replaces the MAX IV 3 GeV storage ring, while the existing tunnel and injector complex are kept unchanged. The number and length of long straights are also maintained, so that the already installed beamline hardware can to a significant extent still be used. However, a partial upgrade of the X-ray optics will probably be needed. The new storage ring should allow a 15–30-fold reduction in natural emittance compared to the current ring. This would result in a diffraction-limited light source up to hard X-ray wavelengths (~10 keV). Given the extremely small horizontal emittance, it is expected that operation at full coupling together with nearly equal horizontal/vertical betatron functions in the long straights will allow the achievement of a round beam at the source points. It is expected that the dynamic aperture will be very small so that on-axis injection schemes are likely to be required. These imply the need for developing adequate injection elements. Despite small dynamic (and physical) apertures, the momentum aperture should be kept large enough so as to prevent too low Touschek life-

time. In order to achieve the very large gradients and compact design which are required to realise such performance, we consider the large scale use of permanent magnet technology in conjunction with small magnet apertures (5.5 mm bore radius). Trim coils in the magnets should permit fine adjustment of the magnet strengths to cope with the expected tight tolerances and correct for the effect of insertion devices. Lengthening of the bunches is expected to be even more important in this design than in the case of the present MAX IV machine to maintain the very small emittances and alleviate coherent and incoherent collective effects. In particular, the effects of IBS as well as coherent collective effects need to be taken into account in order to assess the charge-emittance trade-off related to achieving highest brightness for the users. A compact vacuum system design will thus be mandatory. Some of the expected vacuum-related challenges include heat loads from synchrotron radiation, Non-Evaporable Getter (NEG) coating of narrow chambers and extraction of ID radiation to the beamlines. Further design studies involving prototype work on the critical machine components will be required in order to either validate assumptions or revise some of

Figure 17. Magnet lattice lay-out for the present 7-BA MAX IV 3 GeV ring and a future diffraction-limited lattice candidate (19-BA).

MAX IV Strategy Report 2016–2026

37


the global machine design according to the outcome. The design studies conducted so far have included the analysis of linear dynamics of several candidate lattices, in which the bends are made three times shorter than the bends in the present MAX IV 3 GeV ring lattice. The fields in the bends are kept constant, so the bending angles go down by a factor of three, leading to the emittance reduction by approximately a factor of 30, as expected. Quadrupole gradients go up reaching a maximum of 234 T/m and the dispersion function becomes only a few millimetres, leading to very strong sextupoles (up to 33592 T/m2). The 20fold super-periodicity is maintained and there are 19 bends per achromat, hence we name it a 19-BA lat-

tice. Figure 17 illustrates how this new magnet lattice would look in comparison to the existing 7-BA. Table 5 lists the main beam dynamics parameters and results of the most promising lattice candidate obtained so far. Finally, Figure 18 shows the calculated linear optics functions. In conclusion, our preliminary studies suggest that achieving the diffraction limit at 10 keV within the existing MAX IV 3 GeV ring tunnel is a very challenging, but feasible, goal.

Table 5. Main parameters for 3 GeV storage rings in the existing MAX IV tunnel, comparing the present ring to a potential future ring. Parameter (unit)

Present Ring (7-BA) Future Ring (19-BA)

Energy (GeV) Number of periods Circumference (meter) Natural emittance (pm. rad) Natural energy spread Horizontal tune Veritcal tune Natural horizontal chromaticity Natural vertical chromaticity Momentum compaction

3 20 528 330 0.08 42.20 16.28 -49.98 -50.20 3.06E-04

3 20 528 16 0.09 101.20 27.28 -100.21 -126.10 5.3E-05

Figure 18. Twiss parameters for one cell of a candidate 19-BA lattice.

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MAX IV Strategy Report 2016–2026


THE 1.5 GEV RING Even though the MAX IV rings baseline design assumes only multibunch (uniformly filled) operation, the user community has already expressed interest in special operation modes in which the time structure of the radiation is tailored to the needs of specific experiments. One example is time-of-flight spectroscopy. A series of workshops43,44,45 has been organised and a strategy for further development has been defined. It focuses on providing such special modes only in the 1.5 GeV ring, since the impact on transverse quality of the radiation (brightness) is expected to be lower in this ring. Running such special operation modes generates a number of challenges, such as the transient effects in the passive harmonic cavities and the need to achieve high single-bunch currents. Initially we envisage running the 1.5 GeV ring in single-bunch mode for limited periods of time because this mode excludes use by flux-hungry multibunch users. However, in the mid-term, additional hardware will be needed to simultaneously serve the communities interested in high average flux and in time-resolved experiments. This requires development of fast kicker magnets. The associated engineering developments fit very nicely with the longer term needs of upgrades described above in connection with the 3 GeV ring roadmap. The present strategy consists of the following phases: • Phase 1: Single-bunch operation for two weeks per year. • Phase 2: Fast kicker development. • Phase 3: Pseudo-single-bunch mode (compatible with multibunch operation)

100 fs in the SPF (Short Pulse Facility), which in turn produce short X-ray pulses by spontaneous emission in the FemtoMAX undulators. The MAX IV linac is also prepared for a future upgrade to a free electron laser (FEL), e.g. by using high repeatability solid state modulators. In fact, already at early stages of the MAX IV design, the choice of a full energy linear accelerator as injector was mainly dictated by the idea of opening up the possibility of a future FEL source. Upgrade plans for a FEL at MAX IV Laboratory have been discussed for several years41 and were initially focused on producing hard X-rays in a self-seeded design which required an upgrade of the linac energy from 3 GeV to about 6 GeV. More recently, an initiative taken by the user community gathered in a workshop42 held in Stockholm in spring 2016 defined a scientific case and need for a soft X-ray (1 to 5 nm) FEL that could be driven by a 3 GeV electron beam. Currently, an application for funding of a Design Report for the SXL is being prepared by a group with participants from the MAX IV Laboratory Machine Division, MAX-Faculty of Science (Lund University), Stockholm University and Stockholm-Uppsala Laser Centre. SXL is not to be considered a replacement for a hard X-ray FEL at MAX IV, but instead as a step towards this longer-term goal. In fact, many of the issues related to demonstrating that the MAX  IV linac can indeed deliver the high quality electron beam needed to drive a hard X-ray FEL need to be faced also for SXL. In particular, a detailed characterisation of longitudinal phase space of the electron beam is mandatory.

THE LINEAR ACCELERATOR The choice of a linear accelerator as a full-energy injector for the MAX IV storage rings was guided by the concept of optimising each of the MAX IV accelerators for a different application: while the storage rings focus on producing high transverse brightness and coherence, the task of producing short bunches is left to the linac. In fact, a 100 MHz RF system is used in combination with passively operated harmonic cavities to lengthen the storage ring bunches as much as possible. This alleviates the deleterious effects of intrabeam scattering securing the minimum possible emittance in both rings, but results in X-ray pulses as long as 200 ps (RMS). The MAX IV linac, on the other hand, has two bunch compressors that allow generating pulses as short as

MAX IV Strategy Report 2016–2026

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Beamline portfolio development

tiple techniques in order to obtain a complete picture of sample behaviour. Much of this development work is done in close collaboration with research groups from Swedish universities.

It is of highest importance that the development of the portfolio of the fourteen funded beamlines (shown in Table 1) continues in order to keep the capabilities offered at the frontline and to be able to respond to new scientific challenges and developments being requested by the user community. Such developments will in many cases translate to improvements of endstations, sample environments and detectors. In some cases, it will also involve modification or even complete rebuilding of beamline optics. Many of these developments will involve more than one beamline. An example is sample environments that are developed for several beamlines jointly resulting in a shared pool and common standards. A number of the developments will take place in collaboration with users in order to utilise their experience and secure alignment with scientific needs. This will make extensive use of the engineering competence developed at MAX IV, such as for example the stability task force. Here we give a brief description of a few currently envisioned or on-going developments of beamlines and of the scientific drivers behind them. For more details, we refer to the Updated Science Cases25 where specific suggestions for upgrades â&#x20AC;&#x201C; developed in response to user requests â&#x20AC;&#x201C; are given.

Cryogenic sample environments Several scientific areas are in need of cryogenic sample environments beyond what is included in the Phase I and II beamlines. One major area is bio-imaging, where often cryogenic transfer and imaging capabilities are needed to reduce radiation damage to tolerable levels. A complete cryogenic sample transfer and environment system is part of the SoftiMAX project. It will allow studies of radiation sensitive samples, like biofilms. Similar systems are also needed to exploit the unique possibilities for very high resolution bio-imaging of cells and biofilms at NanoMAX and will, at a later stage, be requested at CoSAXS and MedMAX. Another area in need of reaching very low temperatures is the fundamental studies of quantum systems and processes, in particular, the coupling between electronic excitations and phonons, magnons, spinons or other low energy collective excitations. Although the Bloch beamline includes possibilities to reach sample temperatures around 20K, this beamline, and also the SPECIES and Veritas beamlines, would benefit tremendously from the ability to reach temperatures below 4K.

General sample environments A large number of sample environments are already being developed as part of the Phase I and II beamlines. This development will be pursued further to ensure that the MAX IV beamlines meet the needs of the scientific user community. Examples include: scanning hard X-ray Fresnel Zone Plate-based nanoprobe at NanoMAX, electrochemistry cells at HIPPIE, liquid cells and liquid micro-jets for resonant inelastic X-ray scattering at Veritas and SPECIES, as well as cluster sources for use in Low Density Matter/AMO research. Many sample environments were developed in response to the fact that studies of materials under real conditions and in real time require an environment that reproduces these working conditions. This can include being exposed to pressure, fluids, temperatures, as well as magnetic and electric fields. Finally, several sample environments allow simultaneous monitoring by mul-

40

Detectors and analysers Detectors and analysers will need upgrades in response to instrument developments and in order to be able to fully utilise the properties of the MAX IV sources as these improve. Such upgrades would, for instance, include new two-dimensional detectors for MAXPEEM and HIPPIE, a new analyser with wide acceptance lens and high count-rate to facilitate high throughput studies of samples at FlexPES. A modification of the PEEM would reduce the space charge effects, which in the present design limit the resolution to several nanometres. In the field of time-of-flight detection, several developments are on the way, including a COLTRIM spectrometer at FlexPES and magnetic bottle spectrometers at FinEstBeaMS and FlexPES for electron-ion coincidence experiments. Initially, some of these spectrometers will share the available detectors. The future aim is that each spectrometer will be upgraded to have its own detector. If the development of hybrid pixel detectors continues at the current

MAX IV Strategy Report 2016â&#x20AC;&#x201C;2026


pace, a replacement of the 16 M EIGER detector at BioMAX must be foreseen for this beamline to remain at the forefront. Taking full advantage of the envisioned single bunch modes for the 1.5 GeV ring and the possibilities at FemtoMAX necessitates the development of new spectrometers and upgrades of existing ones for use in both low density matter and solid state physics. A magnetic bottle spectrometer and a recoil momentum spectrometer will complement existing electron spectrometers. Optics and metrology Since brightness in an ideal optical system is a conserved quantity, any optics can at best maintain the quality of the beam. Therefore, to preserve the high brightness beams produced at MAX IV requires close to ideal optics. For this MAX IV has, as part of the Phase  I project, built up expertise in optics and advanced simulation tools. These are continuously being improved. An advanced simulation tool package based on a full wave front propagation formalism has been developed. It allows for accurate simulation of the phase development in the optical system, that is, the preservation of coherence can be traced accurately. Heat load induced distortions strongly influence the performance of optical components and a comprehensive software package has therefore been developed for simulating such effects. In order to characterise and check optics, an optical metrology laboratory is being set up. At a first stage, this involves the basic instrumentation of an optical metrology laboratory (Fizeau interferometer, microinterferometer). In the future the instrumentation will be expanded in response to the increasing demand for in-house capability. In addition, an existing agreement with the Helmholtz Zentrum in Berlin (HZB-BESSY II) on optical metrology allows the meeting of advanced and immediate demands for optics being delivered to Phase I and early Phase II beamlines. Finally, MAX IV actively pursues collaborations with external partners on the development of optics. This is both in the form of design of new optics, which is often done in collaboration with other synchrotron facilities, or in the form of collaborative efforts on fabricating specialised optical components. For instance, Fresnel Zone Plates (FZP) are being developed and fabricated in a collaborative effort with KTH initiated by NanoMAX. This collaboration is of major future importance for SoftiMAX.

MAX IV Strategy Report 2016–2026

Beamline ramp-up plan As set out in the vision for 2026, MAX IV Laboratory anticipates to have approximately 25 beamlines in operation or under construction in 2026. Together with the users, MAX IV will develop science cases, convert these into detailed technical designs, and secure funding for several beamlines. The development of the beamline portfolio must: • Serve the needs of the user communities and take place in close collaboration with them. • Prioritise beamlines complementary to each other in terms of scientific capabilities. • Be responsive to future methodological and technical progress and take into account the development at other facilities. • Occur in close interaction with decisions on source development. • Be compatible with operations and investment funding and human resources. • Consider the upgrades of the existing beamlines. A number of proposals for new beamlines exist and several are in an advanced state in terms of planning and design.69 These beamline projects are summarised below: • DiffMAX: Will cover a wide range of diffraction and scattering based structural characterisation techniques supporting a multitude of fields ranging from pharmaceuticals and soft matter systems to metallurgy and catalysis. This beamline will emphasise enabling full integration of complex (and potentially large) sample environments as well as of additional characterisation techniques. • ForMAX: A combined SAXS/WAXS and imaging beamline equipped with sample environments for studying mechanical properties of wood based materials in a wet/moist environment and for studying pulping and dissolution in aggressive processing environments. The majority of the funding should come from industry. • iMAX: Nano-to-micro-scale full-field imaging beamline for multi-modal, multi-scale 3D imaging of bulk samples with a strong focus on time-resolved 3D-imaging during in-situ/operando experiments. • MedMAX: A multi length-scale 3D imaging beamline specialised towards biological and soft matter. The

41


design will be optimised for time resolved studies by implementing real time data processing, smart acquisition timing, in-vivo and in-situ sample environment and a full and user-friendly image analysis framework. • MicroMAX: A dedicated macromolecular crystallography beamline delivering a highly monochromatic beam or a pink beam in a spot size of less than 1x1 μm2. In combination with advanced sample delivery MicroMAX will offer revolutionary new possibilities for rapidly collecting X-ray diffraction data from microcrystals at room temperature. This will enable targeting projects that are currently out of reach for MX. Collecting data on microcrystals will also exploit in full the advantages that such crystals offer for e.g. pulsed reactions trapped in crystals. Mounting evidence suggests that structural ensem-

bles, not observed at cryogenic temperatures, can reveal intermediate conformations crucial for understanding catalysis, ligand binding, and allosteric regulation. Priority of these beamline projects has been developed, or is being developed, with strong involvement of the MAX IV user community. The process for the continued work of these, as well as new, beamline proposals involves the organisation of workshops, development of conceptual design reports (CDR) and consultation with MAX IV reference groups, URG and IRG, and evaluation by the MAX IV SAC as well as from the user community via the Association for Synchrotron Radiation Users at MAX IV (FASM) as outlined in Figure 19.

Procedure for beamline project proposals Initiative

Proposal

Examples of current projects:

No

Supported by MAX IV?

IR

Phase 1: Initiative

SXL

MAX IV Management

Yes Workshop

CDR

No

Into beamline proposal pool?

URG

IRG

SAC

FASM

MAX IV Management

Yes

MedMAX, DiffMAX, iMAX, ForMAX

Phase 2: Proposal pool management

Potential funders

Ranking

Action Pool review every two years Yes

Stay?

URG

IRG

SAC

FASM Decision

No MAX IV Management

MicroMAX

Legend

MAX IV Management

MAX IV Board

Document

Application Review body

Phase 3: Application

Application submission

Funding

Decision body No

Funders

Yes

Phase 4: Implementation

DDR

Beamline advisory group

Figure 19. Procedure for beamline project proposals. The green arrows on the left hand side indicate the current status of the existing beamline proposals.

42

MAX IV Strategy Report 2016–2026


Decisions have to be based on scientific potential, availability of resources and strategic considerations. An initiative for a new beamline may come from the user community, universities, a potential funder or others. MAX IV management decides whether the proposed beamline fits the criteria needed to proceed and may co-fund a workshop that should result in a CDR for the proposed beamline. Based on the CDR, the advisory bodies at MAX IV comment on whether or not the beamline proposal should be included in the beamline proposal pool and how the different beamlines are ranked with respect to each other. MAX IV management reviews the suggestions for the beamline proposal pool and their compliance with MAX IV strategies and after input from potential funders makes the final ranking of the proposals in the pool. Based on this review, the MAX IV Board decides if an application can be submitted to one or more of the funding agencies. Every second year all the proposals in the project proposal pool will be reviewed by the advisory groups to make sure that they still fit the criteria needed and to decide if the ranking should be revised. A similar process will be used when prioritising and deciding on beamline or accelerator upgrade projects requiring substantial funding. The coordination and prioritisation of the different beamline proposals needed to create a portfolio of mutually complementary beamlines must necessarily involve many stakeholders and also take into account the funding aspect. Involvement of the Swedish universities is crucial and will take place via strong engagement of URG. The MAX IV user community will be involved via the Annual User Meetings as well as

MAX IV Strategy Report 2016–2026

via a major workshop planned for autumn 2017 as a continuation of the 2004 and 2010 workshops on the MAX IV light source and the beamlines, respectively. Such a workshop will also involve the international MAX IV user community and therefore also international beamline initiatives. A most attractive model that demonstrates the commitment of the user community to the development of MAX IV is the SXL initiative. Following a user workshop70 in spring 2016, a scientific case for an SXL utilising the existing linac has been established. Another current user initiative relates to the science cases for single bunch operation of the MAX IV storage rings for time-resolved experiments set up by the AMO community at MAX  IV. Yet another example is the workshop on imaging of biological materials that is planned in connection with the 2017 Annual User Meeting. Although centred on the MedMAX project, this workshop will also incorporate imaging at other beamlines in order to create a unified imaging portofolio. MAX IV encourages other communities to arrange similar workshops and science cases as part of developing the MAX IV beamline portfolio. To engage users and to allow them to invest time and effort in the identification, planning and funding of new beamlines, MAX IV wants to, at least in part, fund the work needed to compile Conceptual Design Reports (CDR). These shall include identification and analysis of user communities and science cases, the technical aspects, estimation of resources as well as timelines. Through these planning grants, we believe there will be better possibilities to recruit and attract new user communities as well as external funding.

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Optimising user experience MAX IV wants to provide efficient user support to ensure high quality of scientific output. Experienced as well as new users, both from traditional and new fields, will be professionally supported. The level of support will be compatible with the operations funding provided. Before and after experiments For academic users the support before and after the visit will be coordinated by the User Office, using the Digital User Office portal (DUO). For industrial users, special support will come from the Industrial Liaison Office (ILO). In addition, MAX IV wants to set up a travel office that can assist Swedish users with funding and booking of trips to the facility. This is currently not possible due to lack of funding, but we firmly believe that such a service would significantly increase the number of Swedish users choosing MAX IV over other European facilities that are already providing similar services. An explicit budget funding for such a travel office was included in the application for the 2019– 2023 operations budget. Another future ambition is to extend remote access beyond BioMAX, currently the only beamline set up to allow users to perform experiments from their home laboratory and thus removing the need and cost for travel. While performing the experiment Support during the actual experiment will mainly be provided by the reception and beamline staff at MAX IV. Although the level of user support at MAX IV has increased, financial constraints limit the availability of technical support. Off-hour support to users relies on on-call schemes. To meet user requirements for preparation and manipulation of samples, while doing experiments at the MAX IV beamlines, well-equipped support laboratories close to the beamlines are essential. To date there are plans for basic laboratories supporting chemistry, biochemistry and surface science/solid state studies. To fully meet users’ expectations, given what is available at other facilities, additional support laboratories are needed. These will cover other areas of natural sciences as well as more advanced complementary

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experiments. The equipment initially present at our laboratories and thus the capability to support more advanced user requests will also initially be limited. Additional funding is required to become internationally competitive. MAX IV attempts to mitigate this limitation by establishing collaborations with universities and other laboratories. Modern day experiments are increasingly complex and have high requirements on the IT infrastructure, both in terms of storage capacity and computing as well as for scientific software. MAX IV has the ambition to fully cover the needs of the users while performing experiments. The goal is that the users, while still at the beamline and as fast as possible, should know that all data needed for a successful experiment has been collected. This would not only increase the efficiency of our beamlines but also prevent users leaving with non-useful data clogging servers and computers at the home universities. To facilitate a seamless transition between on-line analyses done at the beamlines and the continued offline analysis done at the home laboratory, MAX IV has initiated a close collaboration with the Swedish National Infrastructure for Computing (SNIC). SNIC has the expertise and platforms needed for storing and analysing the vast amounts of data that will be produced at MAX IV. All Swedish scientists can apply for access to SNIC resources. Work is ongoing to ensure that it will become easy to move data from MAX  IV to SNIC and that the same software that was used at MAX IV for the initial analyses will also be available through the SNIC account. An example of the latter is the PReSTO suite of software for Structural Biology that is available through the National Supercomputer Centre (NSC) at Linköping University and that will be harmonised with the software suite at BioMAX at MAX IV. Technological developments of beamlines and new sample environments Experiments proposed by users will constantly challenge what is technically possible to support. This can relate to everything from the basic performance of the beamline to sample environments and software. The beamline staff at MAX IV will do its best to handle the need for continuous development to enable leading-edge experiments. In many cases the MAX IV staff will have to draw from the collaborative nature of the field and use expertise from other collaborating

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facilities and expert users. Together they will do their best to work towards finding the optimal solutions for the proposed experiments.

trial users will be arranged in partnership with their favoured academic partners as well as the relevant institute and trade associations.

Outreach activities Another important role for our User Office lies in outreach of information to both existing and new users of MAX IV. Outreach activities targeting new users and science communities will be given high priority. The aim to almost triple the number of users by 2026 will require that the user community grow in both extent and diversity. Our strategy is, as far as possible, to use already existing structures like conferences and workshops aimed at established and already collaborating fields of science. These types of meetings have the advantage of attracting more homogeneous groups of potential users that face similar types of challenges. We can thus create targeted and more relevant presentations to convince them to rally behind new developments at MAX IV that are of benefit to that community. The Annual User Meeting will continue to be an important activity for both outreach and dialogue with the user community.

Industrial Liaison Office MAX IV Laboratory has a strong commitment to actively engage with industry and to serve its needs. The ambition is to increase the competitiveness of Swedish and Nordic industries by providing easy access to accurate and novel synchrotron-based methods that have the potential to transform industrial research and innovation. The goal is to allow companies the full range of services: from direct access for advanced users organised by the Industrial Liaison Office (ILO), to more comprehensive services for less advanced users in need of a higher level of assistance. The latter can include everything from the definition of experiments and required sample preparation, to execution of experiments and interpretation of results. A range of actors need to work together to provide these services. Those include the ILO at MAX IV, academic researchers specialising in the field to be studied, as well as industrial research institutes and mediator companies. Mediator companies refer in this context to companies having as a business idea to solve complex industrial problems by providing access to advanced methods and facilities such as MAX IV. To maximise the impact of synchrotron radiation based research in industry, MAX IV proposes to slowly increase the ILO staffing. Over the coming years additional ILO staff will be recruited. As shown by other facilities such staff can after a few years recover their own salary by the paid industrial work they do. They will be active in outreach, performing experiments and data analysis. Increasing the awareness of MAX IV as well as the general knowledge level of synchrotron-based methods in the industrial sector are key to getting a maximal industrial utilisation of the facility. This will be achieved through outreach programmes directly tailored for each industry sector by connecting to the relevant interest organisations, institutes and academic research groups and centres. MAX IV will also create an informative, updated and easily accessible web site directed at industrial users with the information necessary for synchrotron usage.

Training and education The ambition of MAX IV is to take the main responsibility for driving the training of its techniques. Supporting the broader education around the use of synchrotron-based techniques among graduate and PhD students is, however, mainly the responsibility of universities. Integration of synchrotron-based methods into the teaching at universities is critical to the future success of MAX IV and our staff will support that effort by giving guest lectures. In the MAX IV Laboratory Education Policy 201571 up to 2% of all access to the beamlines has been reserved for education and training. This will be allocated in a proposal process for dedicated educational projects. Beamline-oriented hands-on training courses will be developed and run mainly by MAX IV in the form of short practical courses and by using e-learning tools. For larger and more general training courses, such as summer schools, MAX IV will partner with, in particular, university groups and centres, as has been fruitfully done in the past. The role of MAX IV is coordination and provision of experts as well as providing access to the beamlines. The role of the universities is to put the course into a scientific context and contribute with teaching expertise. Training courses aimed at indus-

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ROLE OF THE USER COMMUNITY The development of MAX-lab, and later on of MAX IV Laboratory, relies on a strong involvement of the scientific community around the facility. Individual researchers, research groups and universities from Sweden and abroad, as well as from other synchrotron facilities, have made crucial contributions. This applies to the planning, development, and implementation of the science, beamlines and their instrumentation, as well as to the accelerators and light sources of the laboratory. A continued strong involvement of the community at all levels is essential for the successful future development of MAX IV Laboratory.

Role of the universities The University Reference Group (URG) was established by a decision of the MAX IV Board in 2011. It has the task of forming a link between MAX IV and Swedish universities with a strong involvement and interest in MAX IV. The MAX IV Board decided in 2015 that the URG should be expanded to include any university that has made significant investments in MAX IV, independent of its country of origin. The URG is important for creating active and mutually beneficial collaborations between the participating universities and MAX IV, and for discussing strategic plans and the developments of the Swedish universities within research, education and innovation with relevance to MAX IV. The URG should also be a platform for an organised and transparent selection and prioritisation process with active suggestions and discussions of new beamlines, sample environments and auxiliary support laboratories as well as for further development of the light sources at MAX IV. In the process for new beamlines and instrumentation, described in detail in this report (Figure 19), the URG has an essential task in providing input on the relevance of the investments/upgrades in terms of the strategic plans of their respective universities. The URG engagement in issues regarding planning and prioritisation of how to best involve universities in education and training at MAX IV is indispensable. This proactive role implies that the URG be involved in the planning of the workshops mentioned in the following section, in particular those of a more general nature, and also that the URG actively participates in future strategies for developing MAX IV Laboratory.

MAX IV Strategy Report 2016–2026

User community involvement In the past, MAX IV has successfully collaborated with the user community in planning for development and upgrades of the facility demonstrated for example by the two large workshops – “Our Future Light Source” (2004) and “Beamlines at MAX IV” (2010). The first formed the foundation for the MAX IV Conceptual Design Report (2006)72 and the later for successful beamline applications to Swedish funding agencies. Both of these workshops had large participation and involvement from the user community. The collaboration with the user community is a vital part of the strategic work including future beamline and other instrumentation portfolios. It is also essential for the development of Science Village Scandinavia (SVS) including possible university outstations there, as well as for the future collaboration with ESS. MAX IV therefore aims to make these kinds of general workshops a recurring event every four to five years; the next is being planned for 2017, focusing on MAX IV developments. Workshops of a more specialised nature, relating for example to a specific beamline, technique and/or science area focus, have been integral parts of MAX IV and are also planned for the future. The focus of this kind of workshops can be general developments at the facility and be initiated largely by the user community (e.g. the March 2016 SXL workshop)73. The subjects can also be more beamline-/instrumentation-oriented, dealing with detailed implementation of solutions for funded beamlines. These workshops are usually initiated by a user group. MAX IV has been able to provide at least partial funding for several of these events previously, thanks to specific grants from the Council for Research Infrastructure of the Swedish Research Council, or from the MAX IV operations budget. The workshops are a most important tool in developing the capacities of the laboratory, like new beamlines and major instrumentation, in establishing how a certain science area can utilise the methods at the facility, and in some cases investigating how funding can be raised for future instrumentation. In view of past experience, and due to their importance for future developments of MAX IV, including preparation for the recurring general workshops described in the section above, we consider it to be essential that this

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type of user-initiated workshops can continue and that MAX IV can facilitate their existence by funding at least their planning. The participation of researchers from outside MAX IV in preparing applications for beamline funding and, later on, in the design and implementation of the funded beamlines has been essential in the build-up of MAX IV. On the one hand, this has ensured that development of a specific beamline is aligned with Swedish users’ needs and, on the other hand, it has made it possible to use existing, or to secure future, Swedish university-based expertise on advanced instrumentation. It is our intention that future instrumentation developments including sample environments and auxiliary laboratories will involve user groups from outside MAX IV. The strong interest from national users is also illustrated by the active Swedish user community. Users are represented by two sister organisations: the Swedish Synchrotron Radiation Users Organisation (SSUO) and the Association for Synchrotron Radiation Users at MAX IV (FASM). SSUO organises Swedish users of synchrotron facilities around the world while FASM represents all users of MAX  IV regardless of nationality. Both organisations have close ties to MAX IV and often act as intermediaries in the communication between users and MAX IV in areas such as working conditions and quality of experiments at the facility. The MAX IV Annual User Meeting is an important link between the users and the laboratory. It serves as a platform for presenting scientific results obtained at MAX  IV, for presenting and discussing new research and method developments, and for information exchange and discussions between the users and MAX IV regarding, for instance, user experience during experiments.

Role of industry MAX IV has as strong ambition to be a leading catalyst of industry related research, innovation and as a result the creation of new business opportunities and jobs. Our preferred approach To understand and optimise the current and future relevance of MAX IV for industry-related research and innovation, we have decided to adopt a strategy by which we approach each industrial sector and its key

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scientific partners individually to perform the following analysis: • What are the major scientific challenges the sector is facing? • Can any of the synchrotron-based techniques contribute to solving those challenges? • What is missing at MAX IV to implement the identified technique in a way that is relevant to the sector (i.e. identify technological and methodological gaps at MAX IV)? • How is the uptake of the technique among the scientists active in the research environments which are trying to address the identified challenge, e.g. industrial research, institutes and associated academic centres and research groups (i.e. identify gaps in expertise within the leading research environments to be addressed by either recruitment or training)? • Start initiatives to address the identified gaps in technology and expertise to develope MAX IV for industrial use. This strategy originates from the positive experience of the ForMAX example by which the forestry industry, the academic group associated with the Wallenberg Wood Science Center and the research institute Innventia came together to create the ForMAX initiative. By using a process similar to the one outlined above, the ForMAX project arrived at a government-supported proposal that includes investments in new infrastructure to enable experiments identified as critical for the sector as well as a national research programme to train a new generation of scientists. MAX IV strongly believes this should be extended to include more sectors but we currently lack internal resources to be able to realise this ambition. The role of the Research Institutes of Sweden (RISE) Research Institutes of Sweden (RISE) has a wide network of industrial partners and customers, spanning most of the important industrial sectors. Each institute has a good overview of the most important academic research environments within its areas of expertise, and hence the expertise required to formulate and co-ordinate strategically relevant research initiatives that address important societal and industrial challenges within their sectors. RISE is therefore an ideal partner for MAX IV. Provided that MAX IV and its methodological experts assist RISE to build basic and

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advanced level competence in synchrotron-based techniques, the research institutes could become extremely important links and facilitators for the introduction of these methods into industrial research. The value of this partnership is further enhanced by the fact that the individual RISE institutes already participate in many research initiatives in their respective fields. The RISE institutes would take on the role to ensure that the topics that benefit most from synchrotron techniques are considered for investigation. Furthermore, it is crucial to understand that many research problems require an array of different techniques and competences in addition to synchrotron techniques to be solved. The institutes have broad expertise and dedicated experimenters who, combined with the cutting-edge techniques at MAX IV, can tackle advanced questions of industrial research, development and innovation.

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The role of mediator companies Lund and MAX IV are fortunate to have a number of successful companies that are assisting industrial clients with scientific expertise in advanced methods, including some of the synchrotron-based techniques that will be available at MAX IV. The business model of these mediator companies is to use their expertise in advanced methods, such as those found at MAX IV, to solve real industrial problems. As effective and professional promoters of industrial access to advanced research infrastructures, such companies should be encouraged and supported. Mediator companies will be highly competitive in their areas of expertise.

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MAX IV Strategy Report 2016â&#x20AC;&#x201C;2026


MAX IV AND THE INTERNATIONAL NICHE MAX IV is the national Swedish synchrotron facility, and as such part of the national strategy for photon science. Being a national facility we have a special mission to focus on the needs of the Swedish community. MAX IV is also a member of the very active international network of synchrotron laboratories pushing accelerator and instrument development and supporting users across national boundaries. There is an agreement between national synchrotron facilities to provide open access to scientists from outside the host country. Swedish users thus get access to beamlines world-wide without having to pay for the beamtime. Strategic considerations in this regard for the role of MAX IV in the future are the following sections. Complementarity The MAX IV storage rings are optimised for highest brightness and cover the region from ultraviolet (UV) to hard X-rays with the 1.5 and 3 GeV ring respectively. The short pulse facility is optimised for experiments requiring high signal to noise ratio at moderate flux. To cover all requests by synchrotron users, Sweden also participates in international facilities. This gives Swedish users access to ESRF, PETRA III and EUXFEL. ESRF in Grenoble has 31 beamlines and is the preferred source for many hard X-ray experiments as well as for small communities that are not big enough in Sweden to justify their own beamline at MAX IV, such as the resonant nuclear scattering community or measurment of phonon density of states. ESRF, however, has only one soft X-ray beamline. PETRA III in Hamburg hosts the P21.2 beamline funded by Sweden. This beamline is optimised for experiments at 40–110 keV, providing large penetration power for dense materials (metals) or high resolution in diffraction studies. EUXFEL in Hamburg is in contrast to the other facilities a free electron laser. It will be world-leading in peak flux for ultra-fast experiments allowing for example non-linear spectroscopy for atomic and molecular physics or diffraction from single particles or molecules. Both are areas in which Swedish scientists are very successful. Developing the MAX IV beamline portfolio over the next decade, the international complementarity must be considered. Complementarity also implies that international scientists will use MAX IV. They will come to profit from the unique features of brightness and coherence. Areas that will benefit from this influx of international expertise are imaging, spectroscopy and

MAX IV Strategy Report 2016–2026

diffraction on sub-micron crystals or from surfaces. Capacity With the present number of fourteen funded beamlines, MAX IV is not able to satisfy all beamtime requests from Swedish users. Having access to other facilities – also including those without Swedish funding like SLS, SOLEIL and Diamond – provides the capacity needed by the community. The usage of synchrotron radiation has grown all over the world. Over the last three decades the number of users at MAX-lab alone grew by an order of magnitude (see Figure 2). This growth in demand is expected to continue. The rampup of beamlines at MAX  IV, together with continued funding of sources outside Sweden, will provide the capacity needed by this growing Swedish community. Collaboration Lightsources all over the world collaborate on many aspects of both hardware and software. These collaborations have been essential for the MAX IV team to deliver the new facility within budget. Some examples or collaborations are: TANGO.74: control system for accelerators and beamlines at MAX IV; IcePAP75: the standard motor controller at MAX IV; NEG coating: ESRF and CERN coated chambers for the 3 GeV ring; MXCuBE76: software for protein crystallography experiments; Electron beam dynamics modelling: mandatory for the design of the 3 GeV ring; Undulator design: for soft and hard X-ray undulators at MAX  IV Laboratory; Sample environment and nano-positioning: in-situ experiments and nano-beams. Coupling to international community Working with other synchrotron radiation sources challenges MAX IV and increases our creativity. One reason for the world-wide success of synchrotron based science is that it has generated a critical mass of people who, in a profitable combination of collaboration and competition, move the field forward. MAX IV needs to stay part of this community to stay competitive. Through the new facility, MAX IV today has a leading role in the international community. To maintain this role we will need to constantly upgrade and expand beamlines and accelerators. This will involve many new and existing collaborations with other facilities to provide the best and most effective solutions for the users.

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NOTES AND ABBREVATIONS 1 Swedish Code of Statutes (SFS) 1994:946 2 E.S. Reich, Ultimate Upgrade for US Synchrotron, Nature News (2013) 501 (148–149). 3 D. Castelvecchi, Next-generation X-ray source fires up, Nature News (2015) 525 (15-16). 4 M. Eriksson, J. Friso van der Veen and C. Quitmann , Diffraction-limited Storage Rings – a Window to the Science of Tomorrow J. Synchrotron Rad. Special Edition – Special Issue on Diffraction Limited Storage Rings and New Science Opportunities (2014), 21, (837-842). 5 The MAX IV storage ring project, P. F. Tavares, S. C. Leemann, M. Sjöström and Å. Andersson, J. Synchrotron Rad. (2014). 21, 862-877, https://doi.org/10.1107/ S1600577514011503 6 https://ec.europa.eu/programmes/horizon2020/en/ h2020-section/societal-challenges 7 http://www.government.se/articles/2016/07/ innovation-partnership-programmes--mobilising-new-ways-to-meet-societal-challenges/ 8 Unpublished results Martin Obst 9 Electrochemical lithium ion intercalation in Li0.5Ni0.25TiOPO4 examined by in situ X-ray diffraction. R. Eriksson, K. Maher, I. Saadoune, M. Mansori, T. Gustafsson, K. Edström. Solid State Ionics, Volume 225, 2012, 547–550. http://dx. doi.org/10.1016/j.ssi.2011.11.001 10 Unpublished work and G. Lovric, PhD thesis, PSI 2016 11 Structure, Aggregation, and Activity of a Covalent Insulin Dimer Formed During Storage of Neutral Formulation of Human Insulin. Christian Fogt Hjorth et al, Journal of Pharmaceutical Sciences Volume 105, Issue 4, April 2016, Pages 1376–1386 12 http://www.government.se/press-releases/2015/12/ billion-kronor-investment-in-next-generation-biologics & https://www.astrazeneca.com/media-centre/press-releases/2015/astrazeneca-biologics-manufacturing-sodertalje-sweden-18052015.html 13 Discovery of a novel warhead against beta-secretase through fragment-based lead generation. Stefan Geschwindner et al. J. Med. Chem., 2007, 50 (24), pp 5903–5911 14 Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand. Philip D. Edwards et al J. Med. Chem. 2007, 50, 5912-5925 15 AstraZeneca and Lilly move Alzheimer’s drug into big trial MARKET NEWS | Mon Dec 1, 2014 |http://www. reuters.com/article/health-alzheimers-astrazeneca-eli-lillyidUSL6N0TL0ST20141201

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16 M. Gubitosi, S. Asaadi, M. Hummel, H. Sixta, U. Olsson, to be published 17 Graphene. Nobel prize in Physics 2010 to Andre Geim and Konstantin Novoselov “for groundbreaking experiments regarding the two-dimensional material graphene” http:// www.nobelprize.org/nobel_prizes/physics/laureates/2010/ 18 Topological insulators. Nobel prize in Physics, 2016 to David J. Thouless, F. Duncan M. Haldane and J. Michael Kosterlitz “for theoretical discoveries of topological phase transitions and topological phases of matter”. http://www. nobelprize.org/nobel_prizes/physics/laureates/2016/ 19 P. Dziawa, B. J. Kowalski, K. Dybko, R. Buczko, A. Szczerbakow, M. Szot, E. Tusakowska, T. Balasubramanian, B. M. Wojek, M. H. Berntsen, O. Tjernberg & T. Story. Topological crystalline insulator states in Pb1−xSnxSe. Nature Materials 11, 1023–1027 (2012) 20 Daniel Friebel, Venkatasubramanian Viswanathan, Daniel J. Miller, Toyli Anniyev, Hirohito Ogasawara, Ask H. Larsen, Christopher P. O’Grady, Jens K. Nørskov, and Anders Nilsson. Balance of Nanostructure and Bimetallic Interactions in Pt Model Fuel Cell Catalysts: In Situ XAS and DFT Study, J. Am. Chem. Soc. 2012 (134) p9664−9671 21 In situ X-ray diffraction investigation of thermal decomposition of wood cellulose. Journal of Analytical and Applied Pyrolysis react-text: 50 80(1):134-140 22 Comparative structure and biomechanics of plant primary and secondary cell walls. Daniel J. Cosgrove and Michael C. Jarvis Front Plant Sci. 2012; 3: 204 23 M. Muzamal, J. Arnling Bååth, L. Olsson, and A. Rasmuson: Contribution of structural modification to enhanced enzymatic hydrolysis and 3-D structural analysis of steam exploded wood using X-ray tomography. Bioresources, 11, 8509-8521, 2016 24 S. Sanchez, P. Tafforeau, J. A. Clack and P. E. Ahlberg Life history of the stem tetrapod Acanthostega revealed by synchrotron microtomography, Nature (2016) 537 (p.408-411) 25 Updated science cases for each of the 14 funded and the five project beamlines can be found on https://www. maxiv.se under respecitve beamline 26 MAX IV Detailed Design Report. Tech. rep. MAX-lab http://www.maxiv.lu.se/publications/ (2010) 27 M. Eriksson, J. Friso van der Veen and C. Quitmann, Diffraction-limited Storage Rings – a Window to the Science of Tomorrow J Synchrotron Rad. Special Edition – Special Issue on Diffraction Limited Storage Rings and New Science Opportunities (2014), 21, (837-842) 28 L. Lin et al, The Sirius Project, J. Synchrotron Rad. (2014), 21, (904-911)

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29 J-L. Revol et al, ESRF Upgrade Phase II Status, Proc. IPAC2014, p.209 30 S. Henderson, Status of the APS Upgrad Project, Proc. IPAC2015, p.1791 31 C. Sun et al, Optimization of the ALS-U Storage Ring Lattice, Proc. IPAC2016, p.2864 32 R. Nagaoka et al, Design Consideration of a 7BA-6BA Lattice for the Furutre Upgrad of SOLEIL, Proc. IPAC2016, p.2815. 33 E. Karanzoulis et al, Elettra Status and Upgrades, Proc. IPAC2016, p.2864 34 Y. Shimosaki et al, New Optics with Emittance Reduction at the SPring-8 Storage Ring, Proc. IPAC’13, p.133 35 G. Xu et al, Recent Physical Studies for the HEPS Project, Proc. IPAC2016, p.2886 36 R. Bartolini et al, Concepts for a Low Emittance-High Capacity Storage Ring for The Diamond Light Source, Proc. IPAC2016, p.2943 37 C. G. Shroer, Petra IV, Presentation at the DLSR Workshop, March 2016 38 E. S. Reich, Ultimate Upgrade for US Synchrotron, Nature News (2013) 501 (148-149) 39 map from: Public Domain, https://commons.wikipedia. org/w/index.php?curid=868126 40 Note that achieving the design stored beam current in the 3 GeV ring (500mA) with a full set of insertion devices depends on an upgrade of the storage ring RF system currently planned for 2021-2022 41 S. Werin et al, Towards An X-Ray FEL at The Max IV Laboratory, Proc. FEL 2014, p.549. 42 A. Nilsson et al, The Soft X-Ray Laser at MAX IV: a Science Case for a SXL, Workshop report, Stockholm, March 2016. 43 S. Sorensen et al, Workshop on Timing Modes for Low Emittance Storage Rings, Synchrotron Radiation News, Volume 28, Issue 5, p.12-15 (2015). 44 S. Sorensen et al, Preliminary Report on alternate bunch Schemes for the MAX IV storage rings and workshop (2015) 45 C. Stråhlman, Time-of-Flight Ion and Electron Spectroscopy: Applications and Challenges at Storage Ring Light Sources, PhD Thesis, Lund Univeristy, 2016. 46 S. C. Leemann and M. Eriksson, MAX IV emittance reduction and brightness improvement, Proc. of IPAC14, p.1615. 47 W. Wurtz, private communication: MOGA calculations for the MAX IV 3 GeV ring.

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48 S. C. Leemann, Interplay of Touschek scattering, intrabeam scattering, and rf cavities in ultralow emittance storage rings, Phys. Rev. ST Accel. Beams 17, 050705 (2014). 49 K-J. Kim, Optical and power characteristics of synchrotron radiation sources, Opt. Engin. (1995)Vol. 34 No. 2, p. 342. 50 S. C. Leemann and M. Eriksson, Coupling and brightness Considerations for the MAX IV 3 GeV Storage Ring, Proceedings of NA-PAC 2013, p.243. 51 R. Nagaoka and K. L. F. Bane, Collective effects in a diffraction-limited storage ring, J. Synchrotron Rad. (2014), 21, (937-960) 52 The beam coupling impedance, a quantity that describes the interaction of the beam with its environment, scales rather strongly with chamber aperture. For transverse resistive wall effects the impedance grows with the inverse third power of the radius. 53 P. F. Tavares, R. Nagaoka and T. F. Günzel, Collective Effects in the MAX IV 3 GeV ring, Proc. IPAC 2011, pp. 754–756. 54 M. Klein et al, Study of Collective Beam Instabilities ForThe MAX IV 3 GeV Ring, Proc. IPAC 2013, p.1730. 55 G. Skripka et al, Transverse Instabilities in the MAX IV 3 GeV Ring, Proc. IPAC2014, p.1689. 56 P. F. Tavares et al, Equilibrium bunch density distribution with passive harmonic cavities in a storage ring, Phys. Rev ST Accel. Beams (2014), 17, 064401. 57 G. Skripka et al, Simultaneous Computation of Intrabunch and Interbunch Collective Beam Motions in Storage Rings, NIMA 806 p. 221–230 (2016) 58 A. B. Temnykh, Delta undulator for Cornell energy recovery linac, PRST-AB 11, 120702 (2008) 59 Y. Ivanyushenkov, “A concept of a universal superconducting undulators”, Proceedings of IPAC14, p.2050. 60 G. C. Pappas et al, Prototyping For ALS-U Fast Kickers, Proc. IPAC 2016, p.3637. 61 T. Nakamura, Bucket-by-bucket on/off axis injection with variable field kicker, Proc. IPAC 2011, p.1230. 62 C. Yao et al, Development of Fast Kickers For The APS MBA Upgrade, Proc. IPAC 2016, p.3286. 63 G. C. Pappas, Fast Kickers for fhe Next Generation Light Source, Proc. IPAC201, p.3329 64 T. Naito et al, Multi-bunch Beam Extraction Using Stripline Kicker at KEK-ATF, Phys Rev. ST AB, 14, 051002 (2011). 65 D. Alesini et al, Design, Test, and Operation of New Tapered Stripline Injection Kickers for the e-p collider DAΦNE, Phys.Rev ST AB, 13, 111002 (2010).

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66 M. Aibi et al., Longitudinal injection scheme using short pulse kicker for small aperture electron storage rings, Phys. Rev. ST Accel. Beams 18, 020701 (2015)

70 A. Nilsson et al, The Soft X-Ray Laser at MAX IV: a Science Case for a SXL, Workshop report, Stockholm, March 2016.

67 M. Borland, Concepts and Performance for a Next Generation Storage Ring Hard X-ray Source, AIP Conference Proceedings 1234, 911 (2010);

71 MAX IV Laboratory Education Policy 2015 https://www. maxiv.lu.se/wp-content/plugins/alfresco-plugin/ajax/ downloadFile.php?object_id=6349a4fa-1dfd-4b2a-8ceac6b4a135eb30

68 P. F. Tavares, Preliminary Studies Towards a Diffraction-Limited Storage Ring (internal report) and presentations at the 2014 Beam Meets Magnets (BeMa) Workshop, Bad Zurzach, Switzerland and at the Conference The Future of X-Ray and Electron Spectroscopies, Uppsala, June 2016. 69 The MicroMAX, ForMAX, MedMAX, and DiffMAX beamlines are assumed to start user operation before the end of the next funding period in 2023. Thus their operations costs are included in the budget proposal (2019 – 2023).

72 http://liu.diva-portal.org/smash/get/diva2:358131/ FULLTEXT01.pdf 73 A. Nilsson et al, The Soft X-Ray Laser at MAX IV: a Science Case for a SXL, Workshop report, Stockholm, March 2016. 74 http://www.tango-controls.org/ 75 http://www.esrf.eu/Instrumentation/DetectorsAndElectronics/icepap 76 http://mxcube.github.io/mxcube/

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AMO

Atomic Molecular Optical

NEG

Non-Evaporable Getter

APXPS

NMR

Nuclear Magnetic Resonance

ARDS

Ambient-Pressure X-ray Photoemission Spectroscopy Acute Respiratory Distress Syndrome

RISE

Research Institutes of Sweden

ARPES

Angle Resolved Electron Spectroscopies

RIXS

Resonant Inelastic X-ray Scattering

CDR

Conceptual Design Report

RMS

Root-Mean-Square

COPD

Chronic Obstructive Pulmonary Disease

RF

Radio Frequency

DDR

Detailed Design Report

SAXS

Small Angle X-ray Scattering

ESRF

European Synchrotron Radiation Facility

SLS

Swiss Light Source

ESS

European Spallation Source

S/N

Signal-to-noise ratio

EUXFEL

European XFEL

SNIC

eV

Electron Volt

EXAFS

Extended X-ray Absorption Fine Structure

FEL

Free Electron Laser

SVS

Swedish National Infrastructure for Computing Scanning Transmission Soft X-ray Microscopy Science Village Scandinavia

FZP

Fresnel Zone Plate

SXL

Soft X-ray Laser

HERFD

Vacuum Ultraviolet

WAXS

Wide Angle X-ray Scattering

IBS

High Energy Resolution Fluorescence Detection Intrabeam Scattering

VUV URG

University Reference Group

ID

Insertion Device

UV

Ultraviolet

ILO

Industrial Liaison Office

XAS

X-ray Absorption Spectroscopy

KAW

Knut and Alice Wallenberg Foundation

XES

X-ray Emission Spectroscopy

KTH

XFEL

X-ray Free Electron Laser

Linac

KTH Royal Institute of Technology, Stockholm Linear Accelerator

XRD

X-ray Powder Diffraction

MBA

Multibend Achromat

XRT

X-Ray Tomography

MX

Macromolecular crystallography

STXM

MAX IV Strategy Report 2016–2026


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Strategy Report 2016-2026  

MAX IV Laboratory Strategy Report 2016-2026.