X-ray Free Electron Laser
Part-2 Photon Beamline andExperiments
XFEL Utilization Division, JASRI
Kensuke Tono

1

Contents
1. XFEL sciences
2. Photon beam properties
3. Photon beamline
4. Experimental stations
5. Experiments at SACLA

2

Contents
1. XFEL sciences
2. Photon beam properties
3. Photon beamline
4. Experimental stations
5. Experiments at SACLA3

XFEL properties and sciences• Short pulse (<10 fs)• High peak power (>30 GW)• Coherent
Ultrafast observation beyond the speed of atomic motion• Beyond static image
 Imaging functions (motion pictures of chemical
reaction, phase transition, etc.)• Beyond statistical image
 Imaging fluctuations, rare events
Ultrahigh intensity opens new regime of
X‐ray‐matter interactions• Beyond linear response(Image from Wikipedia)

4Ultrafast observation“See before destruction”

First demonstration at FLASH
Test patternSingle pulse FELSingle pulse FEL

Chapman et al., Nature Physics 2, 839 (2006)

5

Femtosecond snapshot of a live cell

Kimura et al., Nature Communications 5, 3052 (2013).

6

High intensity application
K. Tamasaku et al, PRL Vol.111 (2013)

Emission from double core hole atoms• 100 uJ/10 fs = 10 GW (after 1‐μm KB)• Focusing size: ~1x1 μm2

1 μm focusing• 10 GW/(1 μm)2~ 1018 W/cm2
Double core hole of Kr

7

Contents
1. XFEL sciences
2. Photon beam properties
3. Photon beamline
4. Experimental stations
5. Experiments at SACLA

8

Properties of SASE XFEL beam
Low emittance & short pulse••••

Source size ~30 μm@10 keV
Divergence ~2 μrad@10 keV
Bandwidth ~5x10‐3
Pulse duration <10 fs

Coherent
Transverse only
Multimode in longitudinalHigh intensity••

Pulse energy ~0.5 mJ @10 keV(~3x1011 photons)
Peak power >50 GW@10 keV

100intensity (a.u.)

•
•

120

80
60
40
20
0

-2

-1

0

1

2

Relative photon energy (eV)

Shot‐by‐shot fluctuation
9

Coherent (transverse only)Interference between scatteringwaves from two particles

Inoue (U. Tokyo) et al.,in preparation

6 keV

Total degree of coherence: ~0.6

~80% of the total power is in the dominant mode (TEM00)
10

Multimode
Spectrum of single XFEL pulse consists of thousands of spikes
due to multi optical modes.
Si(111)Si(555)
120

0x10

100

intensity (a.u.)

120
Intensity (a.u.)

290 meV

3

100
80
60

80
60
40

40
20

20

0

9.90

9.95

10.00

10.05

Photon energy (keV)

10.10

-2

-1

0

1

2

Relative photon energy (eV)Y. Inubushi et al., Phys. Rev. Lett. 109, 144801(2012)

11

Spectraat different
pulse
durations
Evaluationof pulse
duration using
XFEL simulation
Inubushi (JASRI) et al.
PRL 109, 144801 (2012)(a) ΔE=110 meV(b)ΔE=290 meV(c) ΔE=600 meV(d) t=31 fs(e) t=8.9 fs(f) t=4.5 fs(FWHM)(FWHM)

MeasuredSpectraSimulated
spectra12

Shot‐by‐shot fluctuation
Intensity/position

Spectrum

Photon‐beam parameters and experimental data
should be collected in a shot‐by‐shot manner.
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Contents
1. XFEL sciences
2. Photon beam properties
3. Photon beamline
4. Experimental stations
5. Experiments at SACLA

14

Design concept• Main optics & diagnostics are centralized in
Optics Hutch‐> Transport & online diagnostics of a photon beam withlow emittance, short pulse, and high coherence.
‐> Fine electron‐beam tuning with X‐ray optics &diagnostics.

• Experimental stations provide only basic
infrastructure (e.g., optical laser, focusing system)‐> Enough space for various experimental instruments
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SACLA Photon Beamline
BL1：SX
BL2: HX (From 2015)
BL3: HX

BL3
OH: Common optics& diagnostics

BL1

BL2

EH1: Beam diagnostics(Spectrum, timing)
EH2: Pump & Probe
w/ unfocused beam
EH3: 1-um focusing(Imaging, crystallography)
EH4: 1-um focusing(Nonlinear,
Pump & Probe )Laser booth(CPA, OPA)SACLA-SPring-8
Experimental Facility
EH6: HEDS

EH5:
nanometer
focusing

High power laser

Beamline optics
Transport XFEL beam & filter out unnecessary lights• Double plane mirrors (2 sets): Low‐pass filter (Bandwidth of output
beam ~5x10‐3)• Double crystal monochromator (DCM, Si 111): Band‐pas filter (~1x10‐4)< 7.5 keV
< 15 keV

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Optical elements for XFELXFEL features

Damage on a mirror material

Demands

Short pulse (<10 fs)
High peak power (>30 GW)
Coherent

Damage freeSpeckle free
Koyama et al., Opt. Exp. 21 (2013)

Typical Be window Speckle‐free Be window

Goto et al., Proc. of SPIE 6705 (2007)

Ultraprecise mirror finished by
Elastic Emission Machining

Mimura et al., Rev. Sci. Instrum. 79, (2008)18

GeometryOn‐line photon diagnostics:
Beam monitor (intensity/position)yyCompton
ScatteringUx

X-raysL

K. Tono et al. RSI 82, 023108 (2011)

R

Diamond thin film

Intensity
Position

Hamamatsu, S3590-09(10 x10 mm2)I  I L  I R  IU  I D 

IL  IRx  Kx
 K x I x
IL  IRIU  IDy  Ky K y I y
IU  ID

Slope: 1/Kx

Ix

PhotodiodeD
Quadrant-photodiodes

Alkire et al., J. Syn. Rad. 7, 61 (2000). 19

Shot‐by‐shot measurement of pulse
energy20

Wavelength (photon‐energy) monitor
Wavelength

CCD

Diffracted beam
2θXFEL
Measurable range: 6 - 20 keV

Nano diamond film
70
60
50
2 (deg)

Wavelengths (λ) are calculated frompositions of Debye‐Scherrer rings on
MPCCD.

40
30
Dia(111)Dia(220)
Dia(311)20

2dsinθ = nλ100Inubushi ‐san

6

8

10

12

14

16

photon energy (keV)

18

21

20

Shot‐by‐shot measurement
photon energy

Trendphoton energy (keV)

10.0

Peak position
9.747±0.012 keV

9.9
9.8
9.7
9.6
9.5
0

50

100

150

200

shot number

shot number
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Contents
1. XFEL sciences
2. Photon beam properties
3. Photon beamline
4. Experimental stations
5. Experiments at SACLA

23

Single‐shot measurement is mandatory.
• Even a single pulse destroys a sample.

Neutze et al., Nature 406,
752 (2000)• Pulse‐by‐pulse fluctuation of XFEL pulses.

Difficult to repeat measurementin the same condition.
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Instrumentation for single‐shotmeasurement• High photon flux
 Focusing• Fast sample exchange Injectors
 Fixed targets with a fast scanning system• Fast & sensitive X‐ray detection
 High performance detectors
 High sensitivity, high frame rate, high dynamic range, large
area, …

• Fast & reliable data acquisition (DAQ) High performance computers High speed network
 Large storage system
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Focusing

Yumoto et al Nature Photon. 7, 43 (2013)

1‐um focusing mirrors

1.1
0.9

First derivativeI / I0

0.7
0.5

40 µm
4 µm

0.3
0.1
‐0.1
0

10

20

30

Wire position /a.u.

40

50

Koyama et al, OE 21, 15382 (2013)26

Detector
Kameshima (JASRI), Hatsui et al.,Rev. Sci. Instrum. 85 (2014)• Multi‐port CCD (MPCCD)– High sensitivity– Low noise

Specification
Frame rate

• (single‐photon detection capability) Pixel size

– Fast (60 fps)
– Large area（□100 mm）

Octal Sensor Detector (100 x 100 mm)
2048 x 2048 pixels≥60 fps
50 μm

Noise

300e‐

Q.E.

~70 % @ 6 keV~20 % @ 12 keV

Dynamic range

14 bits

System noise< 0.2 ph.@ 6 keVFull well~ 3000 ph. @6keV~ 1500 ph. @12keV
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Data acquisition (DAQ) Joti, Kameshima (JASRI)
Hatsui (RIKEN) et al.

Data stream
4 GbpsContents
1. XFEL sciences
2. Photon beam properties
3. Photon beamline
4. Experimental stations
5. Experiments at SACLA––––

Coherent diffraction imaging (CDI)
Femtosecond protein crystallography
Time‐resolved X‐ray absorption spectroscopy (XAS)
Nonlinear X‐ray optics
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User experiments in FY2012&2013
Term 2012A&B (280 shifts)
HEDS
11%

XQO
15%

MI
0%

Term 2013A&B (257 shifts)
XQO 13%HEDS 7%

BIO&CDI32%

MI 5%

BIO&CDI20%
PX 14%

MAT
11%

CHM&
AMO
21%

PX
10%

MAT 20%
CHM&
AMO
21%

BIO&CDI:

Imaging biology & Coherent diffraction imaging

PX:

Protein crystallography

MAT:

Ultrafast materials science

CHM&AMO: Ultrafast chemistry & AMO science
HEDS:

High energy density science

XQO:

X‐ray quantum optics

MI:

Methods and instrumentation

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XFEL as a probe, as a trigger• Observation in the “see‐before‐destruction”
scheme.
– Coherent diffraction imaging (CDI)– Femtosecond protein crystallography• Observation of ultrafast phenomena– Time‐resolved measurements• Light‐matter interaction under intense X‐ray
irradiation: XFEL as a trigger of novel opticalphenomena– Nonlinear X‐ray optics, X‐ray amplification

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“See before destruction” (1)CDI for single‐particle structure analysis
Differential scatteringcross section

Diffraction pattern

Structure factor

Electron density

Phase retrieval

SampleFourier transform

Sample-image
reconstruction

Real-space image
Y. Nishino et al., Phys. Rev. Lett 102, 018101(2009).

32

Typical setup for CDI
Detector 2

Detector 1

Sample loader
Sample chamber

Focusing optics

XFEL

Filter

Detector 2

Detector 1
Kameshima et al., Rev. Sci. Instrum 85, 033110 (2014)

33

CDI of nanomaterials
Takahashi et al., Nano Lett. 13, 6028 (2013)

Resolution ～7 nm

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CDI of live cell
Kimura et al., Nature Communications 5, 3052 (2013).

35

And more“Macromolecular structures probed by
combining single‐shot free‐electron laser
diffraction with synchrotron coherent X‐
ray imaging,”
M. Gallagher‐Jones et al., Nature
Commun. (2014)“Single‐shot three‐dimensional structure
determination of nanocrystals withfemtosecond
X‐ray free‐electron laser pulses,”
R. Xu et al., Nature Commun. (2014)36

“See before destruction” (2)Femtosecond protein crystallography• Damage free
– Room temperature measurement• Dynamics– Pump‐probe capability• Two major methods– For large, high‐quality crystals– For small crystals

37

Femtosecond crystallography
Hirata et al., Nature Methods 7, 735 (2014).

Damage‐free structure38

Serial femtosecond crystallography (SFX)
Sample loading

Diffraction pattern

Injector

Micro crystals

2D detector &Data acquisition(DAQ) system

10 μm(room temp.)

Focusing

Data analysis
High performancecomputer

XFEL
Structure

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DAPHNIS (Diverse Application Platform for Hard x‐ray
diffractioN In SACLA )Versatile platform for SFX (diffraction/scattering)• Components are separated to be
X‐ray CCD
handled easily.
KB mirrors
Sample• Operated under atmosphericchambeXFELrpressure (He atmosphere)• Flexible system adaptable to
VacuumHe
various sample injectors• Extensible to pump‐probe
Polyimide Be window
Bewindowmeasurement
windows
Injector
SampleAlso applicable to diffraction & scatteringexperiments for variety of solution andsolid samples with P&P capability.

Samplechamber
X‐ray CCD

solution scattering

powder diffraction

Fluid injectors
Continuous beam

High‐viscosity sample

Droplets～0.5 μL/min～0.1 μL/min

He

30 μm

Flow rate = ～ 0.4 mL/min
Proteins：～100 mg

Proteins：～0. 1 mg

Proteins：<0.1 mg

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Single‐shot diffraction patterns of Lysozyme
Lysozyme（Average crystal size: ~5 μm）
Electron density map

Resolution <2Å

Statistics
Shot number: 70,000
Number of Images with diffraction spots : 21723 (Hit rate： 31%)
Indexable images: 13,912 (20%)
Measurement time: 1 hour (20 Hz)
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Time‐resolved measurements forprobing ultrafast phenomena• Time‐resolved X‐ray absorption/emission
spectroscopy (XAS/XES)• Time‐resolved X‐ray diffraction/scattering• Time‐resolved photoelectron spectroscopy• Ultrafast probe for high energy density
sciences– Laser shock compression of materials– Ultrafast probe of plasma
43

Time‐resolved XAS for ultrafast chemistry

Katayama et al,
APL 103,131105
Obara et al, OE
22, 1105 (2014Differential spectrum

Temporal evolution

Light‐matter interaction under intense
X‐ray irradiation• Nonlinear X‐ray optics– Multi‐photon processes– Novel optical responses in the X‐ray region– X‐ray amplification

45

Nonlinear phenomena via interaction with intense XFELIntense XFEL pulse interacts with atoms within a time scalecomparable to a core‐hole lifetime.
• Multi‐photons can be involved.
• Core‐holeatoms can contribute to optical phenomena.
E
0
L
X‐ray

K

L
K

Lifetime: fs ~ asNonlinear phenomena associated with core‐hole atoms
・ Double core‐hole generation
・ Two‐photon absorption
・ Saturable absorption
・ Amplification of x‐ray pulseTo obtain enough XFEL intensity for nonlinear phenomena
XFEL intensity

E
I
S 
Focal spot
~10‐10 cm2 (= 100 nm x 100 nm)

Pulse energy~10‐4 J

(W/cm2)

Pulse duration~10‐14 s

Focusing XFEL down to < 100 nm, an intensity reaches 1020 W/cm2

2‐stage focusing for creating nanometer spot
Simple focusing

WD becomes short

2 stage focusing
Focusing with enough NA
and enough WD

XFEL
Beam size enlargement

Focusing
About 70m
Between EH4 and EH5

Focal point

Results
Mimura et al,
Nature Comm., DOI: 10.1038/ncomms 4539 (2014)
Beam profile
Wire scan profile
Gaussian 45nm(FWHM)

Beam profile
Wire scan profile
Gaussian 55nm(FWHM)

1.0
Intensity (arb. unit)

Intensity (arb. unit)

1.01020 W/cm2@ 10 keV

Vertical

0.8
45nm(FWHM)

0.6
0.4

Horizontal

0.8
0.6
0.4

0.2

0.2

0.0

0.0

-600

-300
0
300
Position (nm)600

〜10 nm55nm(FWHM)

Protein

-600

-300
0
300
Position (nm)60049Application: Two‐photon absorption
50 nm focusing ⇒ ~1020 W/cm2
K‐shell core‐hole of Ge (absorption
Tamasaku‐sanedge: 11. 1 keV) is created by
Nature Photon
absorption of two 5.6‐keV photons (2014)
Intensity dependence: close toquadratic

Summary• Novel properties and sciences of XFEL– Ultra‐brilliant, ultra‐short, and coherent– Beyond static, statistical, perturbative pictures• Beamline for XFEL
– Damage‐free & speckle‐free optics– Single‐shot, nondestructive diagnostics• Experimental instrumentation for single‐shot measurement– focusing optics, sample injectors, detectors, DAQ system, femtosecond
laser• Experiments at SACLA– Femtosecond snapshots of samples– Damage‐free crystallography– X‐ray‐matter interaction under ultra‐high photon flux
– Pump‐probe measurement53

Outlook• Upgrade of SACLA– Self seeding– Multi‐beamline operation (BL1, BL2, BL3)

• New instruments– Ultimate focusing– High power lasers– Detector upgrade

54