German Committee for Research with Radiation Research with Light for the Future

2 3 Contents Perspectives and recommendations 2

Research 4

Requirements 6

Synchrotron sources 8

Research with photons in numbers 10

User community 12

Innovation 14

Young talent 16

Digital opportunities 18

Live research 20

Research fields

Materials 22

Health 24

Information 26

Energy and environment 28

Conclusion 30

Glossary and picture credits 32

Sources and imprint 33

4 1 Perspectives Recommendations German Committee for Research Solving Developing Advancing with Synchrotron Radiation challenges sources digitalisation Synchrotron radiation is the light that gives us a better understanding of the material world. A fundamental understanding Germany has a leading role in The KFS sees great potential of matter and functional ma- synchrotron radiation based in strategies for data manage­ These photons provide insight into the microscopic structure of terials is the basis for solving­ research. To maintain this ment, analysis, storage and materials and the relationship between structure and function. This the great challenges of our position, the KFS recommends availability. The dialogue knowledge is essential for tackling the key challenges of our time, time. Therefore, the KFS sees investing in further develop­ initiated in preparation for the such as the generation of clean and affordable energy, protecting the the need to provide a broad ment of the synchrotron BMBF‘s ErUM-Data action environment, improving health and well-being, as well as information range of synchrotron radiation radiation sources. The KFS plan and with other funding and data science where tailored materials are at the heart of a sus- methods. p. 4, 22 therefore supports the projects agencies should be continued tainable future. PETRA IV and BESSY III. and deepened. p. 18 p. 6/8 Synchrotron radiation is extremely brilliant electromagnetic radiation reaching all the way from the far infrared to the X-ray regime. It is generated at large-scale research facilities, such as storage rings or free- , where charged particles, accelerated to almost the speed of light, emit highly brilliant and intense radiation.

The broad spectrum of applications provides unique insight into materials, living matter, and the processes they are subjected to. This renders synchrotron radiation indispensable both for fundamen- tal research and applied science. Owing to a world class portfolio of outstanding radiation sources, German research with synchro- tron radiation is world-leading and researchers in Germany are fully embedded in the national and international research landscape. This leading position should be strengthened by the continuing success- ful collaboration between Helmholtz Centers, universities, and other research organisations, facilitated e.g. by the action plan „ErUM-Pro“ of the Federal Ministry for Education and Research (BMBF). Strengthening Attracting Involving The German Committee for Research with Synchrotron Radiation innovation bright minds users (KFS) is the elected body to represent the synchrotron radiation user community in Germany and at international institutions with German The KFS recommends that co- Embedding universities in Excellent researchers with participation. The KFS provides a framework for the German operation with industry should synchrotron-based research an active scientific network science community to help shape the future of the field. In order to be further strengthened. The enables the training of next- are the driving force in quantify the needs of the broad and diverse user community, the KFS framework for this can be generation specialists and synchrotron science. The recently conducted a survey, the results of which are integrated into created through more automa- managers at the highest level. successful and close integra- the recommendations presented here. tion, special sample environ- It is the opinion of the KFS tion of the user community ments, by strengthening that academic career paths with radiation sources should The German KFS represents an interdisciplinary community using expertise at universities and based on the use of syn- be further intensified and a broad range of techniques. The common denominator is the tools and databases freely chrotron radiation should be structurally promoted. p. 12 need for world class sources for top-level research. The upgrade available at the synchrotron attractive and plannable. programmes for the radiation sources (PETRA IV, BESSY III) are radiation sources. p. 14 p. 16 the best path into the future.

2 3 Research on a broad basis “Synchrotron radiation enables a very broad spectrum of scientific research - ranging from basic research in and the life sciences to the analysis of art and cultural artefacts. Basic research provides the under- standing of the structure, dynamics and interaction of matter that we need to shape our living environment. Thus, fundamental findings can bear unexpected fruitful applications.“

GHealthGGGesundheitesundheitesundheitesundheit NachhaltigkeitNachhaltigkeit GGesundheitesundheit NachhaltigkeitNachhaltigkeitNachhaltigkeitNachhaltigkeit PD Dr. Bridget M. Murphy, CAU Kiel UUEnvironmentUmUmmmwwwweltelteltelt Chair of the 11. KFS

MMMMaterialsMaaattaetettererialienialienrialienrrialienialienialien “Application-oriented questions are as much in the focus of research with synchrotron radiation as EneEneEneEnergyEnerrgrgrrgieiegieieieie fundamental research. A few examples: Structural elucidation of biochemical processes for the develop- IIInformationInnIIInfnfofofforormrmrrmmmaaationationationtiontion ment of new pharmaceuticals, the development of catalysts for more efficient chemical processes and the production of sustainable fuels or materials for solar panels - in all cases important future topics. This is only possible with excellent instrumentation and a suitable infrastructure.“ orschung orschung orschung orschung orschung orschung orschung orschung

Prof. Dr. Jan-Dierk Grunwaldt, KIT Karlsruhe Vice chair of the 11. KFS Basic Research Grundlagen f Grundlagen f Grundlagen f Grundlagen f Grundlagen f Grundlagen f Grundlagen f Grundlagen f

“Research with photons at large research facilities KKAARRAA PPPEPEETETTRTRRARAAA now generates huge amounts of data. Evaluating and KKKAKAARARRARAAA PELBEETRA PETRA archiving these data streams and making the results DEDEDEDELLTLTLATATAA DELTA available to all researchers and the public in databases FLASHFLASHFLASH are current challenges for us. Here, we as users have XFELXFELXFELXFEL FLASHFLASHFLASHFLASH EuXFELXFEL FLASH to cooperate intensively with the research institutions ESRFESRFESRFESRF ESRF in order to create a modern research data management BESSY system. In this way, digitalisation can really transform our scientific work“.

Prof. Dr. Christian Gutt, Universität Siegen KFS Portfolio Instrumentation and Data Management Basic research bears applied fruits. The large scale facilities are an ideal nurturing ground. 4 5 Requirements Infrastructure for research

Synchrotron radiation offers unique possibilities to researchers. Its high intensity over a broad energy range allows experiments, which are not possible in a normal laboratory. Germany hosts several excellent synchrotron facilities. In order to stay competi- tive on the international level, continuous modernization pro- grammes for hardware and software are necessary. Also, optimal beam parameters and modern infrastructure are essential.

What do we need for future research?

Infrastructure Resolution Intensity Coherence Complementary Sources

We need dedicated laboratory Different areas of research re- In nature, processes occur The highest possible intensity In order to study the This complex field of facilities for experiments under quire not only distinct but also on different time and length is required to enable real-time smallest objects and their parameters can only be realistic conditions and with variable wavelength/photon scales. Therefore, methods studies on smallest volumes properties, the -like covered by a suite of comple- complementary methods along energy ranges. and measuring equipment with tailored X-ray beams coherence of the mentary synchrotron radiation with setups for automated covering the smallest detail which allow us to follow synchrotron sources. measurements. up to the ‘big picture’ - both processes in real time. radiation is spatially and temporally - are needed. needed.

6 7 Synchrotron sources Basis of research Future projects

Staying at the top development of instrumenta- The ESRF (Grenoble, France) Hit the limit KFS recommendations Germany is one of the tion (ErUM-Pro). Naturally, is Europe‘s leading synchro- DESY is planning the new The future projects of the world leaders in research the contribution of the Helm- tron radiation source. Twenty- PETRA IV source PETRA IV with ultra- radiation sources are the right with synchrotron radiation. holtz Centres and other non- five years ago it was the first small emittance, which is way into the future of research Researchers use synchrotron university research institutes is third-generation source, and expected to reach the physi- with synchrotron radiation. radiation for basic research of great importance. since 2020 ESRF-EBS, a cal limits in terms of smallest PETRA IV and BESSY III will and applications on the one fourth-generation source, is achievable source size of syn- cover different parameter hand and for further devel- now in operation. With a focus chrotron radiation in the range ranges. Their multi-bend- oping sources and methods on high-energy and nano- of energies of about 10 keV. achromat lattice technology on the other. Most sources focused radiation, its capa- This unique gain in brilliance will allow completely new worldwide are upgrading to bilities go beyond those of the would make PETRA IV the types of experiments. At the multibend achromatic storage national synchrotron sources. ultimate X-ray microscope for FELs, the development is ring technology with much the observation of chemical moving towards fully coherent finer bundling of the electron and physical processes from X-ray pulses. We need these BESSY II at HZB (Berlin) is a bunches. In order to maintain to visible objects on a new sources for a profound third-generation 1.7 GeV ring their leading position, German time scale ranging from nano- understanding of matter. source focusing on soft and sources also require upgrading seconds to hours. medium-energy X-rays. in the near future. The follow- ing points should be pursued in the process: The user-friendliness of the Since 2017, the European Soft, but extremely instruments for industry XFEL (Hamburg/Schenefeld) • First-class infrastructure brilliant and research should be has been generating ultra- BESSY III • Wide range of applications The successor source further improved in the short, coherent and intense • Complementary sources BESSY III will create com- course of the upgrade X-ray FEL pulses for the study • Qualified user support pletely new analytical capa- programmes, also by • Educating the next of the dynamics of atomic bilities. The research facility Currently PETRA III at DESY means of increasing generation and electronic structure. First will focus on soft and medium (Hamburg) is one of the digitali­sation of the experiments have revealed X-rays and on in-situ and world‘s most brilliant ring infrastructure. The successful implementa- possibilities for research that operando spectroscopy and sources producing high-energy tion of these points should be represent a quantum leap for microscopy methods. High- photons. The KFS explicitly sup- achieved through participa- science with photons. est beam stability and unique ports the plans for the tion of the universities in the spatial, spectral and temporal new radiation sources resolution will be the key pa- BESSY III and PETRA IV, rameters of this new source. as well as FLASH2020+ and the expansion of the European XFEL. Top research needs Thanks to the superconducting top sources. Smaller radiation sources accelerator technology, FLASH such as DELTA (Dortmund), FLASH and European XFEL at DESY is still the only free- KARA (Karlsruhe) and ELBE Developments in super- ible combination of FELs the European XFEL to realise Sources with complementary electron laser (FEL) covering (Dresden) play an important conducting FELs are mov- and lasers of various wave- many of the aspects men- beam properties offer the the ultraviolet and soft X-ray role due to their easier avail- ing towards extremely short lengths, and in the medium tioned before in accordance user community the required range at a high repetition rate ability and specialized in- attosecond photon pulses term also towards so-called with the wishes of the broad broad spectrum of methods. even after 15 years of opera- strumentation - not least for tion. with properties similar to continuous wave (cw) opera- user community. training and industry. those of optical lasers due tion. Upgrade programmes to seeding, as well as a flex- are planned for FLASH and 8 9 Research with photons Total of 9 sources in Germany or in numbers (per year in Germany) with German partnership, thereof

The numbers here are typical annual aver- 7 facilities with user operation ages. They have been carefully collected, but are nevertheless to be understood as 2000 estimates. participants of 21 sources in Europe, user meetings at 60 across the world the facilities 3000 experiments

28 PB (28x1015 bytes) data

from 25 companies, Gesundheit Nachhaltigkeit Umwelt 85 universities, 1500 publications 115 research institutions Materialien Gesundheit Nachhaltigkeit Umwelt 4000 Gesundheit Nachhaltigkeit Umwelt Energie Gesundheit Nachhaltigkeit Umwelt Gesundheit Nachhaltigkeit users Umwelt Information 150 patents Gesundheit Materialien Nachhaltigkeit in EuropeUmwelt Materialien Materialien Energie Materialien MaterialienEnergie Information Energie Energie Information 10 Information 11 Gesundheit Nachhaltigkeit Energie Information Umwelt Information

MaterialienGrundlagenforschung

KARA Energie PETRA DELTA Information Grundlagenforschung XFEL FLASH Grundlagenforschung

ESRF Grundlagenforschung KARA BESSY PETRA Grundlagenforschung DELTA PETRA

KARA Grundlagenforschung KARA PETRA DELTA FLASH DELTA KARA PETRAXFEL DELTA KARA XFEL ESRF FLASHPETRA BESSY XFEL FLASH DELTA ESRF FLASH BESSY ESRF XFEL BESSY ESRF XFEL FLASH BESSY Grundlagenforschung ESRF BESSY

KARA PETRA DELTA

XFEL FLASH ESRF BESSY Topic others information User community 3 % 7 % health materials Interdisciplinary requirements 13 % 38 % 15 % Broad spectrum User community Sources are the basis technology Research from physics, The largest proportion of the Availability and further 24 % and biology, medi- user community is located at development of the synchro- cine, engineering and geo- universities and state research tron and FEL sources in their energy sciences to research on art institutions. Industry also bandwidth is essential for Scientific field The results of the 2019 and cultural assets requires a makes use of the unique this diverse user community. geo & KFS survey clearly show wide variety of X-ray methods. research opportunities at Through their infrastructure, environment arts and culture the broad range of research The user community of syn- synchrotron sources, but often the centres provide the only engineering 1 % with synchrotron radiation: chrotron and FEL sources en- remains invisible to the public possibility for a substantial 4 % 8 % researchers from all natural compasses a very broad spec- due to the confidential nature part of the user community to biology 37 % physics science areas are searching trum of scientific research, as of the results. pursue their research ques- 11 % for answers to questions a recent survey by the KFS tions. concerning materials, explicitly showed. Changing needs 17 % methods for energy, technology, health The methodological demands Internationality 22 % and information. The Sociatal challenges on the sources also reflect Science at large-scale research research with photons trend is to investigate real Due to its diversity, our this diversity. The KFS survey facilities is particularly inter- processes in real time. research addresses important shows: In the future, dynamic nationally oriented. At present, chemistry social issues including energy measurements on complex 40% of the users of German Studied systems conversion, storage and use, objects in operation and in and FELs come warm dense health, information technol- real time will play an even from abroad - and researchers others matter ogy, as well as climate and greater role than at present. from Germany experiment The KFS recommends 1 % environmental protection. A For medical and biological in other countries. Excellent liquids 6 % that the successful, close deeper understanding of the research, high-resolution science can thus build bridges 8 % atoms, solids cooperation of researchers properties of matter forms the imaging techniques and auto- and open dialogues where molecules, 9 % 34 % at universities and other basis. mated experiments are of par- political contacts have become gas phase research institutions with ticular importance. Together, demanding. 10 % the sources continue to they create the growing need soft be funded intensively and for data management in the matter 14 % 18 % structurally. user community. biological systems interfaces

„The questions and needs within the user community are very diverse. This concerns both technical requirements and the ser- vice at the research institutions. Some have their own expertise and others need full support for experimentation. As the con- tact person for user issues in the KFS, I try to keep an eye on all of them and include them in the strategy discussion.“

Prof. Dr. Birgit Kanngießer, TU Berlin KFS Portfolio of User Affairs

12 13 Innovation Rewards of research

Long-standing tradition Cooperation and service Companies benefit from: Examples of companies The use of synchrotron radia- for success From the approximately tion in industry has a long- In order to overcome the Basic understanding 300 companies using German standing tradition. Over many hurdles for companies, Fundamental knowledge is sources, that have been decades it has proven to be a cooperation between large- the driver for creativity and involved in research with valuable, practical and reliable scale facilities, companies, enables knowledge-based synchrotron radiation visible tool. The fields of application research institutions and uni- design of pharmaceuticals, by means of publications, range from physics, ana­ versities needs to be strength- catalysts, functional participation in workshops or lytics or chemistry to biology ened. Industrial use that does ma­terials, etc. patents, some examples are and pharmacy. Around one not take place within the listed below: hundred publications per year framework of cooperations Spin-offs “Research with synchrotron radiation is an important tool for underline the tremendous is particularly dependent on • Airbus Operations GmbH New technology is created in us to improve our products. In the development of lightweight interest shown by industry in service on-site at the sources. (aircraft technology) the design and construction materials for electromobility, we benefit from non-destructive large-scale research facilities Also automated measurements • AstraZeneca of synchrotron equipment, investigations under real conditions that are only possible at the - an attractive opportunity for are very important. In the (pharmaceuticals) e.g. production facilities, mir- synchrotron. The cooperation with experts in science opens up Germany as a business loca- coming years, such opportuni- • BASF AG rors or new detectors. new possibilities for us.” tion. ties should be systematically (chemical industry) expanded and customised to • Carl Zeiss AG Recruitment of talented Dr. Astrid Wollenberg relevant applications. (optics, semiconductor scientists technology) Volkswagen Group Innovation Companies recruit young, • Dassault Systemes Center of Innovation | Battery and Materials highly qualified graduates Deutschland GmbH Head of Metals who preferably have expe- (software) rience and training in an • Volkswagen AG interdisciplinary work envi- (automobiles) ronment. The KFS recommends the following measures: Potential through Strengthening capabilities • Extension of research and data infrastructure upgrades The new methods created by • Promoting start-ups upgrades or improved detec- • Initiating projects between sources, researchers and tors allow a much deeper industry insight. Some functional Bicycle frame: Cell phone: materials can only be under- Carbon fiber materials Semiconductor Facilitating industrial research stood by “watching“ them Drugs: components • Deepening cooperation Air purification: at work. This opens up new Development of • Strengthening service Catalysts Photovoltaics: fields of research and appli- pharmaceuticals • Extending remote access Semiconductors cation. • Enabling rapid access Textiles: Polymers Car paint: Encouraging application Nano­ • Organizing workshops on specialised topics particles/ • Initiating lighthouse projects Resins • Involving the user community Digital camera: Electric car battery: Glasses and coatings: CCD-Chip Storage materials Optical materials

14 15 Young talent Young researchers of today are the future of science

Career development responsibility for novel experi- infrastructure and diverse Research for a better world ments at an early stage in an funding opportunities is ideal needs young investigators. interdisciplinary environment for setting up junior research Science with photons at is the perfect preparation for groups. The BMBF‘s open large-scale research facilities leading positions in science programmes promote close creates a pool of talent for the and industry. cooperation between universi- next generation in universities ties and research centers. This and industry. In Germany in International networking also allows the latest scientific particular, universities and Summer schools and confer- methods to be quickly inte- therefore PhD students and ences organized by the KFS grated into university study postdocs are strongly involved together with the Committee programmes. Internships and in method development at Research with Neutrons experiments at the large-scale photon sources through BMBF (KFN), the photon and neutron research facilities motivate funding programmes. Thereby, sources and the universities students at the various levels young researchers receive are particularly attractive to of education. a unique training in how young scientists. These events to both design and execute combine basic research and Generation change experiments and evaluate application, and create excel- It is very important for the “The conversion of light to electricity in semiconductors is deter- data and write publications. lent international network- future that expertise in instru- mined by excitons - bound electron-hole pairs. They move un­ Additionally they learn how ing opportunities for doctoral ment development is passed imaginably fast and on extremely small length scales. That‘s why to develop innovative hard- students and postdocs. on from the current to the the ultrafast X-ray flashes of an X-ray laser are the perfect way to ware and software solutions. next generation of users, as see the movement of excitons. A precise understanding of these The opportunity to assume Bright minds for research a generation change is immi- processes is the prerequisite for the development of new efficient Clear career paths and nent. energy materials. In my research group, which I am currently successful support pro- setting up as part of a Freigeist Fellowship from the Volkswagen From the perspective of the grammes are the key to Foundation, I intend to push the limits of what is possible.” KFS, academic career paths attracting the best talents based on the use of for a scientific career af- Dr. Daria Gorelova, Universität Hamburg synchrotron radiation should ter the postdoc phase. The be attractive and plannable. combination of cutting-edge research questions, excellent

“As a student, exciting measurement campaigns with synchrotron “During my PhD, by combining measurements at BESSY with radiation in Europe and the USA attracted me to heterogeneous time-resolved experiments on a laser-driven soft X-ray light catalysis. During my diploma and doctoral theses, I expanded source at the MBI, I was able to investigate the reaction of mag- this work together with partners from industry, such as Umicore netic systems to ultra-short light pulses. Synchrotron radiation GmbH. The responsibility in these projects, which closely linked also plays a key role in my current research on magnetically basic research with technical application, was fascinating and is ordered materials, because it enables me to observe the atomic a good basis for my new tasks and challenges at Audi AG today.” subsystems in complex samples separately.”

Dr. Andreas Gänzler, Audi AG Dr. Felix Willems, Max-Born-Institut Berlin

16 17 Digital opportunities and challenges

Data for science Added value Progress through imple- The quantity of data is in- At the same time, digitalisa- mentation “The introduction of FAIR principles, in particular the devel- creasing rapidly in the syn- tion is rapidly gaining impor- The implementation of these opment of standards for data formats and metadata, will sig- chrotron and FEL radiation tance for areas such as model- recommendations through the nificantly accelerate the routine use of research with photons. science area, due to improved ling, simulation, for example BMBF’s ErUM-Data action Especially users from other disciplines will benefit from the easier source brilliance and with digital twins, data plan and in coordination with access to data. This opening to a broader user community is an develop­ment of fast 2D X-ray management, automated data our European partners and invitation to our partners in industry to exploit the potential of detectors. The data rates of analysis, machine learning other projects, such as the synchrotron radiation: FAIR principles represent uniform, stand- modern detectors range from a methods and artificial intel- national research data infra- ardized data access.” few GB/second up to 100 GB/ ligence. structure, remains a challenge second. for the coming years, which Dr. Alexander Rack, ESRF (Grenoble) KFS recommendations the KFS will continue to The KFS has identified the support. digitalisation needs together with the user community in Collecting a series of events and a pro- Important topics for the Finding posal was submitted for the digital future Experiment NFDI programme. In addi- tion, a White Paper describing • Guidelines: Proces- Data cycle required measures for the • FAIR principle (see box “As a frequent user of synchrotron radiation, I find that handling Sharing sing Publication next ten years was submitted left), metadata standards and treatment of experimental data is one of the greatest to the BMBF in collaboration • Amount of data: challenges. Datasets are not only increasing in size but also in Analy- with user representatives from Increasing data rates complexity. As a community, we could benefit greatly from inno­ sing Storing other science areas at large- • Standard formats vative methods, such as machine learning and artificial intelli- scale research facilities. The • Evaluation on the fly gence, for data evaluation. It is important that the KFS promotes proposed measures range from • Data reduction this concern at national and international level.” a tenure-track programme for • Data from “intelligent junior professorships to hard- experiments“ Dr. Thomas Sheppard, KIT (Karlsruhe) ware and include the applica- • State-of-the-art analytics tion of artificial intelligence • Archiving, databases and and machine learning for the curation. analysis of extremely large KFS recommends the amounts of data. implementation of the FAIR Principles. New digital approaches will Data should be: improve research and have an impact on society. The Findable KFS recommends that the Accessible necessary measures are Interoperable funded. Above all, human Reusable resources are crucial.

18 19 Live research from ideas to results

by light, she has to thoroughly mental setup to the software. Magnetic memory Modern prepare for the measurement Ant fossil The burning question here Magnetic The goal of their research is campaign at home in the was whether we could detect to increase the efficiency of medicine laboratory. In amber organic carbon in an amber materials magnetic data storage. To this An ant trapped in amber matrix,” says Dr. Christoph end, extremely fast processes Controlling membranes Characterization 53 million years ago was the Sahle, instrument scientist at Large amounts of data in quantum materials with the Svenja Hövelmann, Master‘s She uses a Langmuir-trough to topic investigated by an inter­ ID20, see photos above. Even during his experiment at highest spatial resolution are student at Kiel University, is investigate phase transitions national research team on the European XFEL with Dr. investigated at the SCS instru- investigating basic mecha- of her membrane-forming the ESRF’s ID20 instrument, Experiment David Lomidze, Prof. Dr. Stefa- ment. nisms of drug transport into phospho­lipids in order to char- on the other hand, focused Following two weeks of final no Bonetti (Stockholm Univer- human cells. acterise her freshly prepared more on measurement, as preparation at the beamline, sity / Ca’ Foscari University of Evaluation the sample has been kindly Venice) was busy with evalu- sample before it is measured the actual measurement lasted The data is compressed prepared by nature in a rather ation, see photo below. „400 Preparation in the lab at the synchrotron. just 12 hours. „What was and analysed so that a real durable state. terabytes of experimental data Before she and her colleague particularly exciting was the image of the sample is visible are a great challenge,“ says Jonas Warias can measure Key to success interdisciplinary work with at different points in time. Stefano Bonetti. „The analysis at P08, PETRA III at DESY „It‘s all about preparation - Organic carbon experts from very different re- Data analysis is the most of the large amounts of data (see photo below) how the measurement time is request- “We use 3D X-ray Raman search areas,“ says Christoph time-consuming part of this requires powerful computing layer thickness and the lateral ed long in advance and cannot imaging to determine the Sahle. „Our results were pub- research and it takes several along with efficient and struc- structure of a cell membrane be extended if problems pop chemical composition. We had lished in Science Advances,“ months to a year to reach final tured data management.“ changes when certain azoben- up,“ says Svenja Hövelmann. developed this method over he adds smiling. conclusions. zene glycolipids are switched four years - from the experi-

20 21 Research fields Examples from research

Gesundheit NachhaltigkeitMaterials Umwelt From structure to properties

StructureMaterialien is the Composite Understanding Learning from Water is

keyEnergie structures fractures spider silk exceptional Real structure Material fatigue Bionic materials Decoding dynamics Information Materials Research The discovery of X-ray diffrac- Most technical materials are The importance of structure Spider silk is a natural, Water is the basis of all life. tion by Laue, Friedrich and composites, i.e. they are analysis becomes clear when biodegradable material with Biological processes cannot Knipping in 1912 can be seen composed of microscopi- considering the ICE derail- mechanical properties far function without water. In as the starting point of modern cally small grains of differ- ment at Enschede in 1998. superior to man-made fibres. the cells of living organisms, on the ent crystallographic phases The cause of this German rail Using synchrotron radiation, proteins work in a liquid atomic level. X-ray diffraction and orientation. Although the disaster was a fatigue crack the response of the structure environment. In oceans, rivers reveals the 3D structure of grain structure can be visual- in a single wheel tyre. Such of these protein fibres to and glaciers, water shapes our materials, which is determined ized using light microscopes, wheel tyres are made of du- mechanical stress was inves- planet and its climate - and by the periodic arrangement real structure determination plex steel, consisting of mi- tigated. It was shown that the water is essential for current of atoms in the crystal lattice. requires the use of synchrotron cron-sized grains of ferrite and arrangement of the proteins and future technologies. Physical properties of materi- radiation. Beamlines deliver- austenite, two crystallographic in the thread is even more Hydrogen, for example, has als such as rigidity, thermal ing X-ray radiation, focused phases of iron. In the course important than their chemi- great potential as an energy and electrical properties etc. down to a spot size of 100 nm of cyclic loading, dislocation cal composition. This under­ carrier and can in principle be are closely linked to the crys- and even smaller, allow the networks are formed in aus- standing on a molecular level produced directly from water Grundlagenforschung tallograhic structure. There- analysis of single grains. X-ray tenite, creating high stress at has paved the way for the and sunlight with the aid of fore, understanding structure- energies up 100 keV give ac- the interfaces towards ferrite development of artificial spi- a suitable catalyst. Never- property relations is a key in cess to grains located deep grains. As a result of this ten- der silk, which is now being theless, many extraordinary KARA thePETRA search for new materials inside the bulk of the mate- sion, micro-cracks appeared in produced industrially. The first properties of this unique sub- DELTA with tailored properties. rial, which is impossible with the much more brittle ferrite, applications range from cos- stance are still not understood visible light. which ultimately led to frac- metics to medical products, in detail. To understand them, FLASH ture. Stress and microcrack clothes and light building ma- researchers must decipher the XFEL formation at the ferrite to aus- terials. The potential of bionic complex interplay between ESRF tenite interfaces as function of materials points far beyond the structure and dynamics of BESSY cyclic load could be clarified this. water molecules. using micro-focussed X-ray radiation at the ESRF.

22 23 Health Molecular structures and processes

Gesundheit Nachhaltigkeit Umwelt

Understanding Materialien Developing Mapping the biomolecules novel drugs brain Energie Structural biology Protein Data Bank New synchrotron sources Rational drug design Inhibiting enzymes Grasping Alzheimer‘s InformationToday‘s understanding of The enormous wealth of The new and planned light The three-dimensional struc- FEL X-ray pulses have recently A better understanding of life at the molecular and information of all these struc- sources (European XFEL, tures of surface receptors and paved the way for the targeted the microscopic structure of atomic level would not have tures is archived in the Protein ESRF EBS, PETRA IV and enzymes are ideal starting development of drugs against the brain can help to fight been achieved without X-ray Data Bank and an analysis BESSY III) will allow the points for the development of African sleeping sickness. diseases such as multiple scle- crystallography, involving of the structures archived analysis of ever smaller crys- new pharmaceuticals. Ration- Hope rests on blocking an rosis or Alzheimer‘s disease, in particular synchrotron there (~161,000 entries at tals with the ultimate goal of al drug design is an iterative enzyme that is vital for the in which morphological chang- sources. It all started in 1958 present) reflects the impor- visualizing individual macro- process involving an intense causative parasite Trypano- es in the neuronal architecture with the elucidation of the tance of synchrotron radiation. molecules. Serial crystallo­ interplay between structural soma brucei. The structure occur. X-ray tomography, also first structure of a biological Almost 90% of the deposited graphic methods are in- biologists, pharmacologists of the enzyme has now been known as computer tomogra- macromolecule: The oxygen- structures were determined creasingly being used. The as well as theoretical and deciphered with great ac- phy (CT), is pretty much the binding protein myoglobin by X-ray crystallography with extremely short pulses of the synthetic chemists. Based on curacy, so that one can use only way to visualize intact was decoded in 1958. In the the overwhelming majority of free-electron laser sources the three-dimensional struc- rational drug design to con- biomedical samples without following decades, ever more these structures relying on the (upgrade to cw operation) will ture of a protein in complex struct an inhibitor that specifi- preparing thin tissue slices. complex macromolecules and high brilliance of synchrotron allow monitoring of chemical with a low-molecular weight cally binds to this enzyme and At today‘s synchrotron radia- tion sources, individual nerve even the structure of Grundlagenforschung complete sources. At the same time, the reactions with high spatial and compound, this starting ligand thus inhibits proliferation of viruses were deciphered using tunable wavelength at these temporal resolution. is optimized until a high- the pathogen. This approach cells can be resolved. At the this method. Very recently, the sources allowed the develop- affinity drug candidate has is also promising for the fight planned, extremely brilliant structure of the main protease been generated. sources, one could even visu- KARA ment ofPETRA new approaches to against other parasites. of the causative agent of solve the phase problem. alize their connection points COVID-19 was DELTAdetermined at and thus the entire network BESSY II allowing the develop- architecture of the brain. XFELment of a suitable inhibitor, an FLASH important step on the way ESRFto a drug againstBESSY SARS-CoV-2.

24 25 Gesundheit Nachhaltigkeit Umwelt Information Materialien on atomic length scales

Energie Information Materials Technological for nano­ Storing insight electronics information

Information age Quantum world High performance Electronics, photonics, They enable us to understand pulses rather than magnetic Microelectronics turned into In the future, will we compute electronics spintronics – what is the the extremely fast processes fields. X-rays from synchro- nanoelectronics – many years not just using but To maintain the trend towards next step? involved. tron radiation sources and free-electron lasers make it of research with synchrotron also via spin currents and light higher performance electronic Electronic methods for data possible to quantify and image radiation have led to miniaturi­ pulses? Will we be able to devices such as smartphones transfer have long been im- Novel data storage the magneti­zation of extremely sation of semiconductor chips process information more effi­ or computers, new concepts portant, but increasingly data devices small structures, thus contri­ as they can now be written ciently and thus save energy? and materials beyond the is transmitted with light and Due to the explosion of data Grundlagenforschung buting enormously to future with soft X-ray radiation. We The use of quantum effects classic semiconductor sili- stored in small magnetic use in society, there is now research in this field. have reached the scale where in computers is in its infancy, con are required. One of the structures. In order to improve a need to store tremendous we require control over single with huge potential for future most promising platforms are information technology, it is amounts of data. “Big data” KARA atoms and need to understand applications.PETRA Modern, brilliant quantum materials. Here, important not only to develop does not float in a cloud, but their quantum properties to synchrotron radiation sources the interaction between myri- DELTA existing concepts but also is physically stored on hard further improve performance. are key instruments for the ads of electrons generates a to search for entirely new drives in large data centres. It is not just about shrinking future development of informa- huge variety of exotic proper- FLASH approaches. XFELsystems - instead we have to tion technology: They provide ties. Synchrotron- and FEL- Up to now, research with search for entirely new effects ESRFan atomic resolution view on radiation enable us to record In the field of spintronics, for synchrotron radiation has and methods allowingBESSY us to increasingly smaller systems movies of these “dancing example, researchers investi- helped to increase the process and store data faster and faster processes, zooming electrons” in real time. Such gate how the spin of an elec- storage density continu- and more efficiently than into the quantum world. studies lay the foundation tron instead of its charge can ously: Today, a single bit on a today. for smaller, faster and more be used as the elementary unit hard disk drive is only about efficient devices, for quantum for computation. Combining 40 nm x 15 nm x 15 nm in computers featuring tremen- this approach with new func- size! Researchers work on dous computing power or for tional materials promises an making even smaller struc- superconductors which can increase of both performance tures. Constructing novel data transport current without loss- and efficiency. storage architectures with es under realistic con­ditions. magnetic skyrmions allows The integration of spintronics data storage and moving with light-driven manipula- and writing bits via current tion of information is a good example. The ultrashort X-ray flashes generated in synchro- tron radiation sources and X-ray lasers are an indispen- sable tool in this research.

26 27 Gesundheit Nachhaltigkeit Umwelt Energy and environment Materialien Efficient processes and energy carriers

Energie

Information Hydrogen Rational Catalysis Batteries for Wind and solar as an energy design live the future energy source

New Efficient processes Example air purification Understanding the mode Storage capacity Clean energy source possibilities Today, 95 % of all chemical A classic application of cata- of operation Besides batteries, the elec- The only product in the con- Watching real products are produced in an lysts is the treatment of ex- Lithium-ion batteries are the trolysis of water is very at- version of hydrogen is water, processes energy-efficient way and with haust gases. More than 60 % best known high-performance tractive for storing solar and whereby the energy can be at work low emissions using catalysts. of all noble metals go into batteries. The deep knowl- wind energy. To understand retrieved from a fuel cell in (“operando”) These will continue to play a this sector - a major resource edge of their mode of op- the method of operation, the form of electricity. Al- has become central role in the future, e.g. problem. Using the latest eration gained by using the model electrodes for the though hydrogen-powered increasingly in the development of energy- X-ray methods, it was recently latest synchrotron radiation oxygen gener­ation reaction fuel cell cars or buses are in Grundlagenforschung possible with saving processes or in the shown that pollutants such as X-ray methods can increase have recently been studied in use already, the technology is recent advances energy transition. carbon monoxide or hydrocar- their stability and lifetime. In detail by surface diffraction. not yet ready for the general in synchrotron radia- bons can be removed more addition, the element lithium Thanks to the BMBF research market. PETRA KARA tion. Beginning with X-ray Operando methods efficiently if they are treated needs to be replaced, and programme in ErUM-Pro, a DELTA absorption spectroscopy, a How can you watch catalysts alternately in an oxygen-rich sodium-based batteries are device could be developed for Scattering methods large toolbox of methods for at work? In recent years there and a reducing atmosphere, a promising candidate. X-ray this purpose that examines By developing scattering has been enormous progress thus optimizing particle size. diffraction measurements have structural changes in grazing methods using extremely XFEL FLASH this purpose has been de- veloped in recent years. For in operando methods. Higher This principle can even be recently identified relevant incidence. In this way, univer- high-energy X-rays, structural ESRF intensities and specially used to regenerate catalysts phase transformations during sity research and the excellent changes in electrodes for fuel BESSY example, processes in the environment and in energy developed monochromators that have aged. charge and discharge cycles. infrastructure of Helmholtz cells and electrolytic hydrogen materials can be understood accelerate the measurement These findings can be used to large-scale facilities come production can be monitored and rationally improved, e.g. of X-ray absorption spectra. develop even more powerful together and help to develop on the atomic scale - an the charging and discharging Spatially resolved and X-ray batteries in the future. important future technologies. important step on the way to of batteries, the operation of micros­copic measurements in- more efficient fuel cells. semiconductors in photocell creasingly allow us to capture light absorption or the func- the entire structural diversity tion of fuel cells, hydrogen of catalysts under reaction production during the elec- conditions. trolysis of water, and energy- efficient processes in the chemical industry.

28 29 Conclusion Preservation and progress

What does top quality research with synchrotron radiation in Germany require?

Solving challenges Developing sources Advancing digitalisation Strengthening innovation Attracting bright minds Involving users The German Committee for The KFS expressly The KFS recommends promot- We advocate strengthening Scientific career paths must In the future, as today, we Research with Synchrotron supports the plans for ing digitalisation by allocating cooperation with industry. become more predictable and need funding measures Radiation (KFS) is convinced the new radiation sources necessary resources. Research Innovative research with syn- attractive. Only then can the such as the very successful that a wide range of experi- PETRA IV and BESSY III, with synchrotron radiation is chrotron radiation offers enor- young scientists of today take ErUM-Pro, which involves ments must be available to as well as FLASH2020+ at the forefront of digitalisa- mous potential for technology on the leading positions in universities and other research solve the major challenges and the expansion of the tion due to the extra­ordinary transfer, e.g. in materials re- society, industry and research institutes in instrumental and facing our society. Research- European XFEL. Our large- quantities of data that are search and health. The current of tomorrow. To this end, we methodological advance­ment ers from all areas of the scale research facilities should generated and evaluated. We challenge is to bring universi- advocate sustainable funding at large research facilities. natural sciences have specific continue to provide the infra- are working on strategies to ties, research institutes and programmes that open up Not only will both partners questions that only research structure needed to meet the speed up evaluation, facilitate industrial partners together attrac­tive career paths and profit directly from this ac- with synchrotron radiation requirements of our users in the exchange of data with for research with synchrotron make them easier to plan. tive exchange, but also the can answer. Many different the future and support the co- the research community and radiation. Communication and entire community of all experimental approaches are operation between universities provide further training for tailored funding of coopera- of synchrotron radiation necessary to find the answers. and research institutions. This users. Our goal of making data tion may be a solution to this researchers. This requires a broadly diver- should lead to new experimen- freely available and usable challenge. sified portfolio of beamlines tal methods, but also pre- (“Open Data“) can be a model and complementary radiation serve successful established for society. sources. methods.

PD Dr. Bridget Murphy, KFS chair On behalf of the KFS

30 31 Glossary • ESUO: European Synchro- • HZG: Helmholtz-Zentrum Sources Imprint tron and FEL User Organi- Geesthacht • BESSY: Berlin electron sation This brochure is based on Publisher storage ring at HZB • KARA: Karlsruhe Research a preparatory research and 11. Committee Research with Synchrotron Radiation • EuXFEL: European X-Ray Accelerator at KIT content analysis by Dr. Dirk (2017-2020) • BMBF: Federal Ministry of Free-Electron Laser, Rathje. Education and Research Hamburg / Schenefeld • KFS: Committee for Re- Chair: PD Dr. Bridget Murphy search with Synchrotron The figures on pages 10-11 Institute for Experimental and Applied Physics • CAU Kiel: Kiel University • FAIR: Findable, Accessible, Radiation, elected user are based on the number and Kiel University Interoperable, Reusable representation affiliation of users registered Leibnizstraße 19 • DELTA: Dortmund Electron with the KFS and information 24098 Kiel Accelerator, TU Dortmund • FEL: Free-Electron Laser • KIT: Karlsruhe Institute of from the synchrotron radia- E-mail: [email protected] (X-ray laser) Technology tion sources. The figures for • DESY: Deutsches Elek- publications in Germany and Vice chair: Prof. Dr. Jan-Dierk Grunwaldt tronen-Synchrotron, Ham- • FELBE: “FEL with high • NEXUS is a data format patents in Europe were deter- Karlsruhe Institute of Technology (KIT) burg Brilliance and Low Emit- mined by literature searches. Institute for Chemical Technology and Polymer Chemistry tance“ at Helmholtz- • NMR: Nuclear Magnetic Engesserstr. 20 • ELBE: Cen­ter for High- Zentrum Dresden-Rossen- Resonance The results of the KFS survey, 76131 Karlsruhe power Radiation Sources dorf in which almost 900 resear- E-mail: [email protected] at Helmholtz-Zentrum • PB: Petabyte, 1015 Bytes chers participated in the end Dresden-Rossendorf • FLASH: Free-electron laser of 2018 and the beginning of Editing, Layout and Typesetting in Hamburg at DESY • PETRA: Positron-Elektron- 2019, are published on the Dr. Karin Griewatsch • ErUM: Research on Uni- Tandem-Ring-Anlage at KFS website at https://www. Helmholtz-Zentrum Geesthacht at verse and Matter, frame- • FLASH2020+: Upgrade DESY sni-portal.de/en/files/kfs-user- Institute for Experimental and Applied Physics work programme of the of the Free-electron laser in survey-2018-2019. Kiel University BMBF Hamburg at DESY • RACIRI: Summer School of Leibnizstraße 19 Röntgen-Ångström-Cluster 24098 Kiel • ESRF: European Synchro- • HDF5: Hierarchical Data (RÅC) and Ioffe-Röntgen- E-mail: [email protected] tron Radiation Facility in Format Institut (IRI) Grenoble, France Adopted by the KFS on August 10, 2020 • HZB: Helmholtz-Zentrum Copy deadline: December 10, 2020 • ESRF-EBS: Extremely Bril- Berlin liant Source of the ESRF Print Gut Gedruckt GmbH & Co. KG, Kiel p. 9: DESY, HZB Heiner Müller-Elsner Picture credits p. 10: freepic.com (map) p. 22: picture alliance/dpa/ p. 12: Martin Weinhold H. Hollemann Cover image and p. 3: p. 13: HZB/Michael p. 23: top: Karin Griewatsch, ESRF/C. Argoud Setzpfandt bottom DESY/Caroline Arnold Cover image back cover: p. 15 top: VW INC, p. 24: University of Lübeck/ European XFEL/Heiner Müller- bottom: Fotolia/tatoman Rolf Hilgenfeld Elsner p. 16: Gänzler private p. 25: top: CFEL/Karol Nass, p. 1: TUM/W. Schürmann p. 17 top: Volkswagen Foun- bottom: ag visuell - p. 4: PT DESY/Britta von dation/Philip Bartz, bottom: Fotolia/Tim Salditt Heintze ESRF/Chantal Argoud p. 26: MBI/Moritz Eisebitt p. 5: DESY/Marta Mayer, KIT, p. 19 top: ESRF/ Chantal p. 27: Quantum Flagship/ Gutt private Argoud, bottom: KIT/ H. Ritsch p. 6/7: ESRF/S. Cande, bot- Amadeus Bramsiepe p. 28: University of Pader- tom: European XFEL/Option Z p. 20: bottom: Karin Grie- born/Roland Schoch, p. 8: HZB, DESY, ESRF, watsch, top: ESRF/S. Cande bottom: davis - Fotolia European XFEL p. 21: European XFEL/ p. 29: HZG/Christian Schmid 32 33