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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
6 science instruments 6
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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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Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
Status civil construction 11
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
Status civil construction 12
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
Accelerator Consortium
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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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Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
Status instrumentations - accelerator 15
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
16Accelerator components life cycle: modules
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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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Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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)
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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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Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
Content
n Overview & status European XFEL
n Science capabilities
è Recent results (LCLS, SACLA)
è Extrapolations
n Further developments
22
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
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Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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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Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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)
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
A recent highlight
Structure of supercooled watern Single-shot diffraction exp.s
from ~10 µm dropletsn Amorphous scatteringn Liquid H20 down to 227 K
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J.A. Sellberg et al., Nature 510, 381 (2014)
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
27
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
28
Coherent imaging
SPBResponsible :
Adrian Mancuso
MIDResponsible :
Anders Madsen
SCSResponsible :
Andreas Scherz
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
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C. Bressler et al., Faraday Discuss. 171, (2014)
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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)
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
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
è Self-seeding schemes
è Circular polarization for soft x-rays
è Higher harmonic lasing
38
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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…
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Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
43
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
Thank you for your attention
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Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
Additional slides
45
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
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Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
Science capabilities provided by European XFEL
Thomas Tschentscher, European XFEL, Bologna 03/07/2014
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
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