science capabilities at european xfel · sample delivery methods nhigh rep rate, precise x-ray...

Topical workshop Research Opportunities at the European X-ray Free Electron Laser

Bologna, July 03 & 04, 2014

Thomas Tschentscher for European XFEL [email protected]

Science capabilities at European XFEL

Science capabilities provided by European XFEL

Thomas Tschentscher, European XFEL, Bologna 03/07/2014

Content

n Overview & status European XFEL

n Science capabilities

n Further developments

2



International user facility for FEL research by a multi-disciplinary sciencecommunity using soft & hard X-ray FEL radiation.

n Multidisciplinary: physics, chemistry, biology, materials sciences, geo-sciences, ...n Users propose experiments: peer-review, invitation, supportn Basic science: establish the foundations for future high tech applications

3European XFEL



X-ray Free-Electron Laser (X-ray FEL)

Properties of the x-rays lightn 103-104×shorter light pulsesn 106×higher flux densityn Full transverse coherence

èNew scientific applications

Electron-injector

Supra-conductingelectron accelerator

Undulator(periodic magnet arrangement)

X-ray FELbeam

BunchingElectron beamElectron

beam

Time

Inte

nsity

SynchrotronX-ray sources

X-rayFELs



New science capabilities

Imaging and structure determinationnUse high coherence & fluxnNano-scale objectsn Single molecules or cells

Ultrafast processesnUse extremely short x-ray pulsesn Photo- & reaction chemistrynCondensed-matter phase transitions

Non-linear processes and extreme statesnHigher order x-ray processesn X-ray excitation of matter

High peak & average flux applications

5

Au nanocrystalsClark et al.,

Science 341, 56 (2013)

Non-linear mixingGlover et al.,

Nature 488, 603 (2012)

Insulator-metal-transitionDe Jong et al., DOI: 10.1038/NMAT3718



6 science instruments 6



X-ray instrumentation

4 science instruments for hard x-ray FEL radiationn Femtosecond X-ray Experiments (FXE)è Ultrafast dynamics of liquids and solid matterè Combination of spectroscopic & scattering techniques

nMaterials Imaging & Dynamics (MID)è Coherent diffraction imaging from nano-structured samplesè X-ray photon correlation spectroscopy of nanoscale dynamics

n Single Particle & Bio-imaging (SPB)è Coherent diffraction imaging from single particles

nHigh Energy Density Physics (HED)è Ultrafast dynamics of highly excited matter (Solids, WDM, HDM)è Combinations of scattering, diffraction & spectroscopy techniques

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2 science instruments for soft x-ray FEL radiationn Small Quantum Systems (SQS)è Ultrafast dynamics of atoms, ions & clustersè Combination of spectroscopic & coherent scattering techniques

n Spectroscopy & Coherent Scattering (SCS)è Ultrafast dynamics of complex solids è Combination of high resolution inelastic spectroscopy & coherent

scattering techniques

Detector developmentnHigh rep rate, efficient, high dyn. range

Optical laser and synchronisationnHigh rep rate, synchronized, pulse-on-demand

Sample delivery methodsnHigh rep rate, precise

X-ray instrumentation 8



The first multi-user FEL facility

Operate several experiments in paralleln 5 scientific instruments can take beam in parallel (initially 3)n 5 further scientific instruments share the day – 12 hr operation (initially 3)n Further instrument are in change/set-up mode (initially 1 - 2)

Facility provisionsn Two electron beam lines allowing fast (few µs) switch from one to anothern Scheme altering e- trajectory fast (<100 ns) to stop/enable FEL processn Switching x-rays between instruments by means of mirrors (min)

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linac bunch traindump switch

beamline switch

beam line #2

beam line #1

dump XS1 BL2 & Inst BL1 & Inst feedback

Steer e- in one of2 beamlines

Stop/enable FELoperation



Photon energy ranges 10

200 eV 1 keV 10 keV

284

eV -

C K

410

eV -

N K

543

eV -

O K

12.4

keV

Elec

tron

ener

gyse

ts

Soft x-ray undulatorSASE 3 (68 mm)

20 k

eV

7112

eV

-Fe

K

25 k

eV

wat

erw

indo

w

Diff

ract

ion

(DA

C, e

tc.)

4992

eV

-TiK

4038

eV

-Ca

K

2470

eV

-S K

2145

eV

-P K

500-

1300

eV

2p T

M, 3

d R

E

500 -1300 6 -14 keV 18 - >25 keV

12.0 GeV8.5 GeV

17.5 GeV14.0 GeV

0.25 – ≥3 keV

Hard x-ray undulatorsSASE 1 & 2 (40 mm)

3.0 – ~25 keV



Status civil construction 11



Status civil construction 12



Accelerator Consortium



The electron acceleratorn Low electron beam emittances < 10-6 mnHigh peak currents ~5 kAn 100 Cryo-modules, each comprising 8 Nb cavities

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Status instrumentations - accelerator 15



16Accelerator components life cycle: modules



The FEL devicen Self-amplified spontanous emission in single passn 1000s of periods (few cm) to reach saturationn µm precision over 5 m length; >200 m total lengthnOut-of-vacuum technology; min. gap 10 mm

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X-ray systems: Undulator fabrication & testing

Design, construction, assembly, measurement , installation of SASE undulators, phase shifters & intersection units

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Undulator assembly & measurement (Bldg 36) Phase shifter measurement (IHEP)



X-ray systems: Optics & beam transport 19

9 flat mirrors (3 adaptive)• Key specs: 2 nm PV• Prototype tested • Delivery end 2014-2016

Mirror chambers need to be extremely stable and low-vibration

• Key specs: 20 nrad rms• First two chambers arrived



X-ray systems: Detectors

LPDn First beam tests with 2-tilen 0.25 MPx system in test

AGIPDn Full scale ASIC deliveredn First tests with beam

DSSCnRedesign for phase-I

Other developmentsnGotthard (1D) – MHz nMCP (2D, sX) – MHz n Fast-CCD not yet arrivedn pn-CCD to be tested

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1.0 ASIC P-III tests

v1

MCP Fast-CCD



Current activities & time schedule

2014 Start injector commissioning2016 Complete accelerator installation

Start accelerator commissioningFirst FEL light

2017 Start of early user program

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Content



è Recent results (LCLS, SACLA)

è Extrapolations


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Imaging nano-scale (biological) objects

Use intense, ultrashort and coherent X-ray pulses to determine the atomicand mesoscopic structure of single particlesn Principle: Structureà functionà new therapy/drug

Methodsn Nanocrystal diffractionn Coherent diffraction imaging from SPs

Apply ton Single molecules, cells, nanocrystals, clusters

23



Imaging nano-scale objects

Use ultrashort and coherent X-ray pulses to determine the atomic andmesoscopic structure & the dynamics of nano-scale structuresn Mounted condensed-matter objectsn Disordered materials

Methodsn Coherent diffraction imagingà structuren X-ray photon correlation spectroscopyà dynamics

Apply ton Nano-materials, metallic glasses, simple liquids

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Imaging and structure determination 25

Structure solution (mol. repl.) of Cathepsin B at 2.1 AL. Redecke et al., Science, DOI:10.1126/science.1229663 (2012)

Acoustic phonons in Au nanocrystalsClark et al., Science 341, 56 (2013)

Anomalous S scatteringIn Lysozyme à SAD, MAD

T.R.M. Barends et al., Acta Cryst. D69, 838 (2013)

Solving the orientation problemin single particle scattering

C. Hong Yoon et al., Opt. Exp. 17, 16542 (2011)



A recent highlight

Structure of supercooled watern Single-shot diffraction exp.s

from ~10 µm dropletsn Amorphous scatteringn Liquid H20 down to 227 K

26

J.A. Sellberg et al., Nature 510, 381 (2014)



Status and prospects (to structural biology)

Serial femtosecond crystallography (Nano-crystallography)n Technique largely masteredè Atomic resolution shownè Avoid radiation damage problem (e.g. metallo-proteins)n Improvement neededè Injection and sample preparation techniquesè Detectors with higher resolutionn Study time-dependent structure modificationsè Reactions (initiated by e.g. mixing)è Photo-reactions

èLarge number of proposals to use this techniqueèProposals to build dedicated apparatuses for European XFEL & LCLS

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Status and prospects (to structural biology)

Serial femtosecond crystallography (Nano-crystallography)n Technique largely masteredn Improvement neededn Time-resolved applications have startedèLarge number of proposals to use this techniqueèProposals to build dedicated apparatuses

Imaging single objects (molecules, clusters/molecular assemblies, cells)n First data sets have been collectedn Further R&D requiredè X-ray source propertiesè Sample injectionè Detection & hit identificationè Storage & data analysis algorythmsnDifferent techniques under investigationè Direct scattering and angular correlations

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Coherent imaging

SPBResponsible :

Adrian Mancuso

MIDResponsible :

Anders Madsen

SCSResponsible :

Andreas Scherz



Ultrafast processes

Study structural & electronic processes at the femtosecond time-scalenMaking the „molecular movie“nChemistry (Photo-chemistry, photo-synthesis, catalysis) n Solid state dynamics (Phase transitions, non-reversible processes)

Methodsn Scattering, diffraction & spectroscopyn fs-synchronized optical laser for excitation

Apply ton All kind of photo-sensitive materials (gas-, liquid-, solid-phases)

29

Courtesy: S. Techert



Ultrafast processes 30

tr-XAS spectra from Fe-bypyridinH. Lemke et al., J. Phys. Chem. A 117, 735 (2013)

tr-XES spectra from PS-IIJ. Kern et al., Science (2013)

DOI:10.1126/science.123473

THz streakingof photo-electrons

I. Grguras et al., Nat. Phot. 6, 852 (2012)

Speed limit of insulator-metal-transition in magnetiteDe Jong et al., Nature Mat. (2013)DOI: 10.1038/NMAT3718



A recent highlight

Complete look at solvation dynamicsnCombine x-ray spectroscopy with

x-ray diffuse scattering/diffractionnGet structural parameters to fix

conditions in dynamic reactions

31

C. Bressler et al., Faraday Discuss. 171, (2014)



Status and prospects

Diffraction techniques are applied successfullyn Atomic structures, short- and long-distance order, structural phasesn Single crystals, thin films, amorphous scattering (liquids)nResonant and non-resonantn Time resolution (>100 fs) in general not a problem

Spectroscopy techniquesn Electronic structures, short-range ordern Techniques have been successfully tested; instrumentation implementedn First applications done (under publication)n In general more complex and photon hungry

Instrumentation developmentn Variety of pump sources : THz, x-ray, multi-pulsen Improve time-resolution : shorter pulses, reduced jitter, on-line measurem.

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fs-time-resolution

FXEResponsible :

Christian Bressler

MIDResponsible :

Anders Madsen

SCSResponsible :

Andreas Scherz

SQSResponsible : Michael Meyer



Non-linear processes & extreme states 33

Non-linear mixing of opticalexcitation and x-ray probeGlover et al., Nature 488, 603 (2012)

Ionize Xe 35-fold by sequentialabsorption processes

B. Rudek et al., Nat. Phot.,DOI:10.1038/NPHOTON.2012.261

Ionize atoms and x-rayplasma formation in AlS. Vinko et al., Nature 482, 59 (2012)



Status and prospects

Non-linear x-ray processesn Still flux limitedn 2-color processesn Stimulated inelastic x-ray scatteringè See B. Patterson et al., SLAC-TN-10-026 & more recent …n Soft x-raysnRequire fully coherent beams

High excitation studiesn Atoms, molecules & clustersà high ionization statesn Solidsà x-ray generation of solid-density plasmasn Initally fundamental studies to explore physics processedn Proposed program on plasma physics instruments

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Non-linear conditions

SPBResponsible :

Adrian Mancuso

SQSResponsible : Michael Meyer



Isentropic compression to reach high pressure states at low temperaturesn Extend the know P-T diagram of phase spacen Fundamental knowledge for planetary physicsnNew materials ?

Studyn High pressures, temperatures and densitiesn High strain ratesn Dynamics : Reaction kinetics, diffusion/propagation, nucleation

Condensed matter at extreme excitation (I) 35

M. Koenig et al., HEDP (2010)

Temporal profile optical laserfor isentropic compression

accessibleby DACs



Ramp compression

Tight requirements to optical lasern ns pulse durationsn Temporal shapingn Pulse energies

36

D.E. Frantanduono et al., J. Appl. Phys. 110, 073110 (2011)

D.C. Swift et al., Astrophys. J. 744, 59 (2012)

HE optical lasers

HEDResponsible :

Thomas Tschentscher



Condensed matter at extreme excitation (II)

Structural studies of complex solids in ultrahigh magnetic fieldsn Fundamental knowledge of structural properties and phase diagrams

37

J. Billete et al., RSI 83, 043904 (2012)

Atacamite (Pnma, a = 6.030(2), b = 6.865(2), and c = 9.12(2) Å), T = 7 K, B = 30 T, 7 ms

O. Mathon et al., JSR 14, 409 (2007)

Re L2

Z. Islam et al., SRN 25(6), 5 (2012) Y. Narumi et al., SRN 25(6), 12 (2012)

Burst duration 600 µsà

pulsed B fields

Pulsed magnets

HEDResponsible :

Thomas Tschentscher

MIDResponsible :

Anders Madsen

SCSResponsible :

Andreas Scherz



Content




è Self-seeding schemes

è Circular polarization for soft x-rays

è Higher harmonic lasing

38



Towards fully coherent radiation: Self seeding

In absence of external coherent sources for seeding the FEL processnUse forward scattered part from Bragg diffraction (Geloni et al., JMO 58, 1391 (2011))

n Experimental proof at LCLS successful (Amann et al., Nature Phot. 6, 693 (2012))

39

SASE undulatorCrystal

monochromator

Weak chicane

Output undulator

Self-seededX-ray pulse

electrons



Circular polarization for soft x-rays

Generation of variable polarizationn ‘Afterburner’ provides variable polarization radiation with similar power level

than SASE3 @ saturation

40

Separation oflinear polarization



Higher harmonic lasing

Harmonic lasing is FEL instability developing independently of fundamen-tal lasing (and different than non-linear harmonic generation).n based on coherent micro-bunching at harmonic frequenciesn requires to disrupt fundamental gain processn saturation power scales with 1/h (h – harmonic order)n bandwidth scales with 1/hnSimilar intensity fluctuation and transverse coherence as fundamental

41

Simulation European XFEL100 pC, 21 keV in fundamental3rd harmonic lases at 62 keV

E. Shneydmiller et al., PRST AB 15, 080702 (2012)

Disruption of fundamental lasing by intro-ducing phase shifts of 2π/3 and 4π/3 along the gain curve



Improvement of radiation properties

These source developments will lead to improved radiation propertiessupporting the science program using FEL radiationn reduced fluctuationsn better coherencen higher pulse energiesn improved specific properties (polarization, photon energy, bandwidth, …)n…

42



Summary

Start-up of European XFEL in full swingnCivil construction completedn Installation of accelerator starts nown First light by end of 2016n Early user runs in 2017

Building an user facilitynRamp-up x-ray delivery to ~4.800 hrs per annumn Increase operation for users over 3 yrs to final 4.000 hrs per annumn Aim at operation of 3 science instruments in parallel à 12.000 user hrsnDedicated instruments and trained staff support users in complex FEL exp.

Science programn LCLS user program indicates huge interest (high over-subscription)nMain fields are ultrafast processes and structural biologyn All European XFEL instruments run regular user workshops

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Thank you for your attention

44



Additional slides

45



User group access

Due to the complexity of FEL experiments todate big collaborations haveformed to deal with the related challenges. This is a big change to the waySR experiments are performed.An alternative is to provide a high level of support enabling smaller andless experienced user groups to focus on their science problems. LCLS already achieved a good deal here. European XFEL attempts to go a step further:n Preparation phaseè Support in preparing and integrating specific requirements/setups

n Experiment phaseè Expert teams for the various subsystems are involvedè Permanent presence of European XFEL staff to monitor performanceè Ease of procedures

n Check-out & analysis phaseè Pre-screening of resultsè Data storage & access platforms providedè Scientific computing effort to implement best routines

46



International organisation 47

DASTIDASTI CEA +CNRSCEA +CNRS

DESYDESY NIHNIH NCBJNCBJ OJSCRusnano

OJSCRusnano

SlovakRepublicSlovak

RepublicKingdomof SpainKingdomof Spain

VRVR SwissConfed.Swiss

Confed.

Council (Chair: R. Feidenhans‘l, Vice-chair: P. Sovak))

European X-Ray Free-Electron Laser Facility GmbH (European XFEL)Construction phase (1.15 B€)- Constructing the facility- SC electron accelerator through In-kind contr.(coordinator and contributor DESY)

- X-ray systems mostly through in-house groups- Infrastructure (bldgs, technics)

European X-Ray Free-Electron Laser Facility GmbH (European XFEL)Construction phase (1.15 B€)- Constructing the facility- SC electron accelerator through In-kind contr.(coordinator and contributor DESY)

- X-ray systems mostly through in-house groups- Infrastructure (bldgs, technics)

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Operation phase (~100 M€/yr)- Operating the user facility- User program- Scientific exploitation- Accelerator operation & development by DESY - R&D program

Operation phase (~100 M€/yr)- Operating the user facility- User program- Scientific exploitation- Accelerator operation & development by DESY - R&D program



48

Thomas Tschentscher, European XFEL, 21 Mar 2010

Simultaneous operation of many instruments

Within the bunchtrainn 2 e--beamlinesn 5(+) undulatorsn 15(+) instruments

e-

e-

SQS SCS

SPB FXE

MID HED

Boxes only placeholders !Sophisticated electron bunch distributionn 27.000 bunches/sec to 5 beamlinesn in average 10-20 Hz and ~500 pulses/trainn using kicking methods to make bunches lase only in dedicated undulator

On trajectory à lasesOff trajectory à only SR



Overview European XFEL 49

Low emittance electron injectorLow emittance electron injector• 60 MV/m• 700 µs pulses

Scientific instruments & ancillary instrumentationScientific instruments & ancillary instrumentation

• 6 stations

Undulator systemsUndulator systems

• 3 systems• >450 m

X-ray optics & beam transport

X-ray optics & beam transport

• 3 systems• ~2000 m• 1m mirrors

Hamburg -Bahrenfeld

Superconducting electron acceleratorSuperconducting electron accelerator• 23 MV/m• 800 cavities• 17.5 GeV

Schenefeld

science capabilities at european xfel · sample delivery methods nhigh rep rate, precise x-ray...

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