Workshop Overview & Charge,
Science Examples,
Instrumentation R&D
Bill Schlotter
Feb. 9, 2015
Outline
 Workshop Charge
 Workshop Format
 Breakout activities
 Scientific Opportunity Example
 From workshops to transformational science at LCLS-II
 Planning for Instruments at LCLS-II
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Our Charge
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Ensuring LCLS-II will be useful for our science
 The strength of the Scientific Opportunities we develop
and refine over the next two days will guide the
capabilities developed for LCLS-II
 X-ray Parameters
 Instrumentation
 Methods
 Our workshop will form the basis for a document
describing the most important Scientific Opportunities
at LCLS-II.
 Our workshop will inform the instrumentation
developed for LCLS-II
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Workshop Charge
(Identifying Science)
 To identify the most important science opportunities
(transformational, grand challenge level) that can uniquely be
addressed using capabilities of LCLS-II (high rep rate <5 keV, 1-25
keV at 120 Hz)
 Near-term science consistent with LCLS-II baseline
 Future science consistent with potential LCLS-II upgrades
 Succinct statement of why this science is transformational
 What are important outstanding questions in your field?
 Why have they not been answered (what is impeding
progress, why now, why LCLS-II)?
 What is the potential broader impact if we can answer
these questions (why are they important)?
Plenary speakers will outline selected important science areas
setting the stage for the breakout discussions.
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Workshop Charge
(Experiments, Parameters, Alternatives?)
 Map out experimental approach and key requirements for:
 Beamline optics, endstation(s), detectors, lasers, sample injectors
etc.
 Identify key capabilities, consistent with nominal LCLS-II baseline (and
upgrades – secondary)
 Photon flux, pulse duration, rep rate, tuning, polarization, etc.
 Compare experimental approach to current state-of-the art & assess
alternative approaches
 Can the experimental approach leverage existing
instrumentation/expertise? What R&D is required?
 Can the science be done with other existing sources? (e.g.
diffraction-limited synchrotrons, table-top HHG, etc.)
Breakout sessions will identify priority science opportunities linked
to LCLS-II & outline experimental approaches and parameters
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Workshop Format
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Material Physics Workshop Format
Day 1 (Monday)
Day 2 (Tuesday)
Morning:
Morning:
Introduction
Plenary Speakers
Plenary Speakers
Breakout Sessions
Afternoon:
Afternoon:
Lunch
Lunch
Plenary Speakers
Breakout Sessions
Breakout Sessions
Breakout Closeout
Dinner
Depart
Homework
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Breakouts:
 All are encouraged to
present ideas –
template provided
 Each breakout will
deliver a summary at
the closeout session
 Scribes will take
notes and collect
presented materials
for internal use only.
Breakout List
Topics
Co-Leaders
Magnetism & spin dynamics
Hermann Durr, Peter Fischer
Correlated materials &
charge-collective modes
Z.X. Shen, Tom Devereaux, Zahid Hussain
Materials physics –
nanoscale structure,
domains, grain boundaries
Aymeric Robert, David Reis, Steve Kevan
 Each breakout will be introduced in more detail this afternoon
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Breakout Contribution Template
• Everyone is encouraged to contribute a scientific opportunity for
LCLS-II
• Template slides provide a guide for input.
• It’s not to late to start!
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Breakout Deliverables
• Summary slides for closeout that address the charge
• Written notes addressing the charge with respect to scientific impact
and relevance to LCLS-II
• Answers to the LCLS-II parameters questions
• Notes from breakout discussion (scribe)
• Collection of slides (on a memory stick) presented at the
breakout. (scribe)
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Breakout discussion FAQ
Q: LCLS-II sounds great, but it can’t answer the most important questions in
my field...should I go home?
A: You should stay. Focus on the key pieces where LCLS-II can provide
unique insight.
Q: I have this great idea, but it requires 10fs synchronization between the
optical and x-ray pulses, and the spec is <20fs.
A: Requirements outside of the nominal should provide a clearly justified
scientific opportunity. Develop meaningful scientific advances starting with
<20 fs (nominal) synchronization and working toward the target
synchronization.
Q: I can do my experiment at LCLS today. At LCLS-II, I would do the same
thing just a 1000 time faster. Is that really unique?
A: It depends, but if you need one year of LCLS-I beamtime—which you
obviously can’t get—to make progress on your experiment and one shift at
LCLS-II would do the same then YES that is unique.
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Build from previous work!
2012
SLAC/LBNL 2008
BES 2009
2007
Document are available on the workshop website
LCLS-II Scientific Opportunities Workshop, Feb. 2015
2012
2009
2009
2010
Scientific Opportunity
An Example
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Understanding Multi-electron Photo-Catalytic Systems
Science Challenge/Opportunity
Important “grand challenge
level” scientific question
• Understanding natural and artificial photo-catalysts on natural
time scales and under operating conditions
• Critically missing is a complete characterization of the electronic
and atomic structure of rare/transient intermediate states
responsible for key steps in catalysis (e.g. water splitting)
O2
S0
S1
hn
e-
hn
S4
Significance & Impact
• Deeper understanding of natural photo-catalysts is essential to
design efficient, robust, chemically selective catalytic systems
from earth-abundant elements
• Optimization of artificial systems requires characterization of
their dynamics under operating conditions
Challenges & LCLS-II Strengths
H+, e-
hn
hn
H+, e-
S3
S2
H+, e-
LCLS-II connection
• Sub-nm resolution, chemical specificity, dynamics.
O2 Evolving Catalyst
• Tunable ultrafast soft X-rays at high rep rate will enable
Mn4CaO5
chemically-specific characterization of rare transient
intermediate states (occupied, unoccupied and collective states)
4-photon, 4-electron catalyst with dynamics
Baseline
and future
via time-resolved RIXS.
spanning sub-psec to msec. Critical S4 state is
metastable and has eluded characterization
• Two-color, tailored laser excitation, wet RIXS endstation upgrade
with present methods/sources.
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Your Name
Workshop (Chemistry, Materials, life Sciences)
Breakout Session
Experimental Approach
Time resolved RIXS, two1MLCT
color spectroscopy….
3MLCT
• Techniques(s)
– Dynamic electronic structure of transition-metal catalysts. Chemical
specificity to transition-metal and ligand(s)
– Time-resolved RIXS, two-color spectroscopy, stimulated Raman,
multidimensional spectroscopy
DE
hνout
• Tools
N-1s
• Alternatives
– Synchrotron approaches rely on largely static measurements of crytrapped states. Not all intermediates can be cryo-trapped, and fixed
samples are susceptible to damage as significant accumulated
photons are required.
energy loss (eV)
– High-resolution (100 meV), high-throughput RIXS spectrometer for
solution-phase samples (jets or droplets for shot-to-shot sample
Resonant Inelastic X-ray Scattering
replacement. Suitable designs are presently available that represent (RIXS, X-ray Raman)
Specific and
quantitative
• Occupied
& unoccupied states
a modest advance beyond current instruments.
transfer
parameter•• Charge
requirements
– Two-color and multidimensional spectroscopy requires
Multi-particle excitations
independently tunable pulses from FEL (DE ~0-500 eV), and optics
for manipulating them.
incident energy (eV)
Alternatives discussion
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Your Name
Take Credit!
static N K-edge RIXS map - So
(BESSY – Wernet, Huse et al.)
From this workshop
Through instrumentation
To important science at LCLS-II
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Toward Science at LCLS-II …
 Delivering effective capabilities for science requires
parallel effort 
Science
• Scientific opportunities are identified through the
workshop, and through ongoing activities of science
working groups, and captured in a science document
R&D
• R&D and planning for LCLS-II instrumentation is
ongoing at the LCLS facility, and will be guided and
prioritized in large part by science opportunities and
needs identified for LCLS-II
LCLS-II
• LCLS-II beam parameters are optimized by the
LCLS-II project with guidance from scientific
drivers.
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Input for R&D
• The LCLS operating facility will guide instrumentation for LCLS-II.
R&D is underway in many areas
•
•
•
•
X-ray Detectors
Pump Lasers
Data Acquisition
Sample Delivery
• LCLS-II accelerator
parameters being developed
and priorities
• Bi-weekly discussion
between with LCLS & LCLSII to inform and drive
progress in these areas.
LCLS-II Scientific Opportunities Workshop, Feb. 2015
•
•
Polarization Control
Seeding
LCLS-II & Instrumentation
LCLS-II Scientific Opportunities Workshop, Feb. 2015
LCLS-II Operating Facility Layout
FEH
NEH
Cu Linac
H4
H4.5
H3
H1
0.25-1.3 keV (120kW) H4
H2
4 GeV, 0.3 mA, 1.2MW
H3
H4.5
H5
• Polarization currently under evaluation
• Soft x-ray undulator is linear horizontal. Option for elliptical
polarization control requires strong scientific support
• Hard x-ray undulator has option for either linear vertical or linear
horizontal.
LCLS-II Scientific Opportunities Workshop, Feb. 2015
H6
FEH
NEH
SC Linac
H5
H6
Soft x-ray instrumentation at LCLS-II
 As part of the LCLS-II project , a single soft x-ray
beamline (200eV-1250eV) will be built.
 The current soft x-ray beamlines in hutches 1 and 2 will
be removed.
 Scientific opportunities will drive additional
instrumentation





Monochromatic beamline
High resolution x-ray emission spectrometers
Reaction-microscope system
Pulsed magnetic field systems
Upgraded or new end station systems
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Instrumentation plan for LCLS-II
 Space for instruments at LCLS-II is constrained by the layout of
the Near and Far Experiment Halls.
 Significant reconfiguration and development of the NEH
instruments is expected.
Control Rooms
Future
Instrument
Space
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Future
Instrument
Space
Hard x-ray instrumentation
 The hard x-ray instruments will remain in the same
location for LCLS-II with ancillary upgrades necessary for
LCLS-II compatibility
 All four hard x-ray instruments can use the LCLS-II beam
 XPP, XCS and MEC can operate at photon energies as
high as 25keV at lower repetition rates because a mirror
upgrade project that is currently underway.
 Because of a mirror upgrade the CXI instrument will be
capable of delivering focused beam at higher repetition
rate.
 Future detector, pump laser and DAQ upgrade options
are part of the current LCLS facility development.
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Summary
We are charged to develop important science
opportunities unique to LCLS-II at the startup of
LCLS-II and beyond.
Breakout group deliverables will develop into the
Scientific Opportunities Document
The R&D on instrumentation at LCLS along with
the development of the LCLS-II project are
underway in parallel—now is the time to begin
refining the instrumentation plan.
LCLS-II Scientific Opportunities Workshop, Feb. 2015
Questions & Discussion
LCLS-II Scientific Opportunities Workshop, Feb. 2015
END
LCLS-II Scientific Opportunities Workshop, Feb. 2015