Scientific and Facility Functional Requirements for Optical Laser Systems at the

Operated by Los Alamos National Security, LLC for NNSAU N C L A S S I F I E D

Scientific and Facility Functional Requirements for

Optical Laser Systems at the Matter‐Radiation Interactions in Extremes

(MaRIE) Facility

Cris W. BarnesLos Alamos National Laboratory

September 7, 2011

Operated by Los Alamos National Security, LLC,for the U.S. Department of Energy LA-UR-11-05162


Materials research is on the brink of a new era of science in which the traditional approach of observation & validation of performance is replaced by prediction & control of materials functionality

MaRIE builds on unique LANL capabilities to provide unique experimental tools needed to realize this vision:

In situ, dynamic measurements of real materials

Scattering & imaging simultaneously

in extreme environmentsDynamic & irradiation extremes

coupled to directed synthesis via predictive theory

Materials design & discovery

http://www.lanl.gov/orgs/adeps/VISTAS/docs/FINAL-LALP-10-059-reduced.pdf


The needs for materials in extremes are many; the challenge is common: revolutionary advances in controlled functionality

Slide 3

MATERIALS MATTER!!


Anticipated advances in exascale computing, experimental tools with unprecedented resolution, and modeling put us on the verge of accessing critical phenomena at the meso (micron) scale

THEORY/MODELS• Spatial & time heterogeneity• Bridging scales

CO-DESIGNMATERIALSDISCOVERY

EXPERIMENT• Extreme fields• In-situ multiple probes

COMPUTATION• Simulation Codes• Data analysis & visualization

Informing

continuum

modeling

Operated by Los Alamos National Security, LLC for NNSAU N C L A S S I F I E D Slide 5

Our Strategy: an Uncertainty Quantification (UQ) approach to Adaptive Physics Refinement

Moving refinement window

Polycrystal (≈ 8X8X8) Continuum (≈> 8)

Velocity

Single crystal (1)

dt ≈ 0.01-.1 nsdt ≈ 0.1 ns

dt ≈ 2 nsAtomistics

dt ≈ 0.001-.01 ps

Coarse-scale simulations spawn sub-scale direct simulations as needed.

- 4 - 3 - 2 - 1 0 1 2 3- 4

- 3

- 2

- 1

0

1

2

3


Slide 6

MaRIE will provide unprecedented international user resources

First x-ray scattering capability at high energy and high repetition frequency with simultaneous charged particle dynamic imaging

(MPDH: Multi-Probe Diagnostic Hall)

Unique in-situ diagnostics and irradiation environments beyond best planned facilities

(F3: Fission and Fusion Materials Facility)

Comprehensive, integrated resource for materials synthesis and control, with national security infrastructure (M4: Making, Measuring & Modeling Materials Facility)

Unique very hard x-ray XFELUnique simultaneous photon-proton imaging measurementsUnique spallation neutron-based irradiation capabilityUnique in-situ, transient radiation damage measurementsUnique materials design and discovery capability

MaRIE builds on the LANSCE facility to provide unique experimental tools to meet this need


MaRIE science case forms the basis of a requirements-driven definition of the facility

User Driven Science

PerformanceGaps

Functional Requirements

Preferred Alternative & Roadmap

Materiel Needs

Alternatives Analyses

Facility Concept


In 2009 we engaged more than 225 scientists from 80 institutions in 7 countries in a MaRIE-inspired dialogue (and we continue to host workshops)

(2011)

MaRIE science agenda has matured over last 3 years through external workshops & formation of user teams

Slide 8


Compelling Applications of Decadal Challenges in Dynamic Extremes for MaRIE Drive Key System Requirements

Meso-scale Material DynamicsoResponse of multi-granular material to dynamic deformationoMicron-scale insights towards predicting high explosivesoRadiation-induced damageo Includes key earth science materials

Multi-scale Fluid Dynamicso Measure 3D multi-scale mean flow and turbulenceo Variable material turbulent flows for diverse applicationso Ability to measure all relevant scales for validation

Path Dependence and Variable Path Loadingo High-repetition flexible means of dynamic loadingo Capability to explore key regimes of stress-straino Kinetics and time dependence on the frontier

XFEL

optical laser

Turbulent spray

pRad

VISAR

XFEL

e-beam

optical laser

Warm Dense Mattero Chemistry of a new periodic tableo Controlling the performance of solids to plasmas


Understanding the role of microstructure-based heterogeneity evolution in material damage

Team includes: Curt Bronkhorst et al. (LANL, UK AWE, BYU, CalTech, Ohio State, …)Slide 10

Example: Predicting and preventing materials damage

The goal :- Predict dynamic microstructure and damage evolution

The first experiment :- Multiple, simultaneous dynamic in situ diagnostics with resolution at the scale of nucleation sites (< 1 mm; ps – ns)

The model :- Accurate sub-grain models of microstructure evolution coupled to molecular dynamics


X-Ray SourceCoherent Diffraction Imaging: 1011 photons/pulse w/transverse & long. coherenceCrystal Grain Orientation: 108 photons/pulse with transverse coherence

Radiography<1-mm thick samples with <1 mm and <100-ps resolution

Photon Energy ³ 50 keV (optimum driven by sample materials size, x-ray absorption, sample temperature limits)

Example of Science Requirements Driving Pre-Conceptual Reference Design Specs

1st Experiment Science Requirements

Dynamic experiment with theory, simulation, & information sciences to discover small-scale dynamic phase transformation & damage/failure events.

Material Samples:Z values: from Be to Pu“Two-dimensional” 0.05-0.5-mm thick optimized w/X-ray probe, 1-5 mm in the shock direction, 3-15 mm in the thick direction

Dynamic Environment:Shock Front: 2–10 km/s (total event time ~ 1-2 ms)Stress Loading: £ 4–200 GPa

Measurements in Dynamic Environment:3D imaging with 1 mm resolutionPhase within a grain, with grain orientation to within ~1°Lattice strain with ~100 nm resolution Density: 1%, in both directions transverse to the shock front with 1 mm (thin direction) or 10 mm (thick) and <100-ps resolution; >5 measurements across region of interest Temperature: 300–2000 K, measured to within 10–30 K and 1 mm resolution

Sample Size: 0.05-0.5 mm thin, up to 15 mm in the thick directionFlyer Plate Velocity: 100-1500 m/s

Facility Requirements Electron Accelerator & XFEL Specifications



Dynamic ExtremesMicrostructure Evolution Stochastic Explosive Microstructure & DetonationFluid/Mineral Interactions in 3-D Measurements of Turbulent

Radiation ExtremesIrradiation Stability of Structural NanocompositesFission Gas Bubble & Swelling in UO2 Nuclear FuelMechanical Testing of Structural Materials in Fusion/Fission Environ.Measurements of Temperature, Microstructure & Thermal TransportRad Damage in Passive Oxide Films & its Influence on Corrosion

Control of Complex Materials & Processes

Understanding Emergent Phenomena in Complex MaterialsDeveloping Practical Superconductors by Design

Energy Conversion & Storage Achieving Practical High-Density Energy Storage Through New Support/Catalyst Electrode SystemsSolar Energy Conversion w/ Fun-ctionally Integrated Nanostructures

Process-Aware Materials Performance

Nanostructured Ferritic AlloysExploring Separate Effects in Pu

User Driven Science

50 keV coherent x-ray source with 1011 photons in < 1psec focused to 1-100 mmDynamic charged particle imaging with 20-GeV electrons High-power optical laser systems (Omega EP-like)Tunable ultrashort x-ray source for excitation: 5-35 keV, 100 fs, focused to 10 nm Ultra short pulse lasers for spectroscopy: THz to VUVMW fast neutron source with 2x1015 n/cm2-s and >4000 h/yr operation with < 10 beam trips per day over 1 minCrystal growth with control of impurities & defects

Deposition w/CVD, PVD, evaporation, ion beamsNanofab w/lithography, dry & wet etch, thermal processingCharacterization w/ SEM, FE-SEM, AFM, SALVE, ion beamsData Visualization w/ 1MB-10TB available per expt.

PerformanceGaps

EnvironmentsDynamic pressure: 4 – 200 GPaStrain rate = 10-3 – 107 s-1

Temperature = 4 – 3000 K ± 0.2 – 1%High Explosives < 500g (w/<30g SNM)Pu isotope samples < 3 mm thick Irradiation rate < 35 dpa/fpyHe(appm)/dpa ratios: 0.1-1, 9-13Irrad Volume: 0.1 liter @ >35 dpa/yr

MeasurementsScattering

Defects: 1 nm res over 10 mm Stress: 1-2 mm res over 100 mmLattice Strain: 10 nm res in 3D

Density Imaging0.1-1 nm, <1-ps res over 10 mm 10 nm, <1-ps over 50 mm0.1-1 mm, < 0.3 ns over 0.1-1 mm

Spectroscopic3D chemistry mapping w/ 1mm res

Themo-Physical MeasurementsTemperature: 1 mm resThermal Conductivity w/ 1 mW/m-K res

Synthesis with Characterization

Organic, inorganic, biomaterials incl nanomaterials, HE & actinidesThin films with buried interface characterization



Materiel Needs


Facility Concept

Build upon $B LANSCE site credits by adding:• Accelerator Systems

Electron Linac w/XFEL

LANSCE power upgrade

• Experimental Facilities

Multiprobe Diagnostic Hall (MPDH)

Fission-Fusion Materials Facility (F-cubed)

Making, Measuring, & Modeling Material Facility (M4)

• Conventional Facilities


Science-driven Requirements Lead to Integrated Facility Needs Fulfilled by MaRIE

User Driven Science

PerformanceGaps


Facility Concept


Materiel Needs


Slide 13


Variable Loading Path First Experiments set requirements for high-energy optical drive laser systems

Dynamic Environment:Samples with load diameter <3 mmStress 4->200 GPaStrain rate up to 107 sec-1

Load durations <2 microsecondsOver 10 and up to 20 dynamic shots per 8-hour shift

Measurements in Dynamic Environment:Stress and strainInternal shock velocities (2-15 km/sec to 1%)Surface velocities (0.2-15 km/sec to 1%)Density to 1% at sub-grain (<<10 micron) resolution

Optical Laser System Requirements

1st Experiments Science Requirements

Variable strain-rate loading required to access path-dependence measurements of phase, strength, and other constitutive properties

High Explosives (up to XXX g)5 mm gas gun (up to 15 [?] km/sec flyer)Optical Drive Laser:

• Direct-drive• Plasma-Piston• Flyer-Plate

Facility Functional Requirements80 kJ IR in a ~125 ns pulse-width for direct-drive70 kJ IR in a > 100 ns, < 10 us pulse –width for plasma piston9 kJ IR in a 10 us pulsewidth for flyer plateOMEGA EP beamlines as basis-of-estimate

P= KI n where P is the pressure in Mbars, I is the laser intensity ( for a 1 um laser wavelength) in units of 10^14 W/cm2 and n is an exponent between 0.4 and 0.66 ( experimentally determined). K is usually a small number between 1 and 10 which is somewhat Z dependent.


NIF

LCLS-MEC

ε (sec-1)

ε

Stre

ss (G

Pa)

Internal review committee evaluating dynamic environmental functional requirements (Robbins et al.)

Previous analysis of dynamic environments of interest based on Campaign 2 Strength and Damage workshop


• Equations of state• solid-solid phase transformations• solid-liquid (melt), liquid-liquid transitions• explosives, organic materials, chemistry• “dynamic” phase diagrams

• Strength under extreme conditions• metals, polymers• elastic limits, plastic deformation

•High explosives science• Initiation, hot spots, chemistry• Strength• Detonation propagation

• Shock-induced chemistry• explosives initiation• material reactions under weapons conditions• new materials discovery

• Dynamic Damage • Ejecta

• how much,what phase• function of drive conditions• reaction with environment

• Warm dense matter

7 key materials physics drivers for the current U. S. matter-in-extremes efforts

What are the relevant time and length scales of the physics of interest and how do we get there with the most cost-effective dynamic drive systems?

<1 – 100s ns

0.01 – 1000s ns

10s – 1000s ns


Over 15 dynamic drive systems were evaluated

• Gas and powder guns• Single stage• Large bore single stage• Large bore two stage• High performance two stage• Small diam., high perf. Two stage

• Lasers• Laser-driven mini-flyer, table-top• Laser-driven flyers on TRIDENT• Table-top laser direct drive • Intermediate-scale laser direct drive• Large scale laser direct drive• MaRIE laser

• Ramp compression• Veloce• NHMFL• Z-pinch

• High explosive drive• Direct and through attenuators• HE-driven flyer plates

Omega

Trident

HERCULES

Chamber 9

Large bore powder gun

HE drive

SNL Z machine


Internal review committee evaluating dynamic environmental functional requirements (Robbins et al.)

• Minimum and maximum shock (ramp) pressures• Shocked sample size• Shock (ramp) pulse duration• Strain rate• Flexibility of drive (complex loading conditions)• Repetition rate (per 24 hr period)• Repetition rate limitation• Operational advantages and disadvantages• Cost

Evaluation criteria for dynamic drive systems

Benefit-to-cost for these and other intangibles?


Based on what I’ve heard at this workshop, at this point I open some issues for discussion:

1. I believe in “secondary radiation” both as a pump as well as a probe. [It may not be clear what the best applications are yet.]

2. The current design is a (constantly evolving) trade-offs between: rep-rate, maximum stress, sample size, cost, project risk (technical readiness level)

3. MaRIE (well “beyond in time” EXFEL) is interested in multi-granular “real” materials, at multiple scales requiring multiple probes


Pre-conceptual design uses OMEGA EP beam-line(s) but also running “long-pulse” (microsecond)EP is based on NIF design with some changes to amplifier design to use water-cooled flashlamps.Total cavity length is 47 m- however- due to rise and fall times of the PEPC, 4- pass pulsewidth is limited to 20-30 nsAt lower Technical Readiness Level (TRL), can run 2-pass for longer pulses (under study)

Overall scale length of the laser is set by spatial filters. Folded, 2-level design minimizes total footprint


Short-pulse laser is needed to drive secondary radiation and create WDM: design depends on energy efficiency A 3 kJ- 30 fs laser is well beyond the

present state of the art The current thought is to use a large

aperture OPCPA ( Optical Parametric Chirped Pulse Amplifier) design• OPCPA’s are large non-linear crystals

pumped by 1-2 ns green laser pulses A 3 kJ 30 fs laser would use two

stages of amplification- each stage requiring several kJ of green light at 1-2 ns

Two additional 4-pass beamlines would provide the pump pulses

Assume 66% efficiency in the compressor• 4.5 kJ in to get 3 kJ out

Assume 40% efficiency in the OPCPA’s• This would require 11.25 kJ in the

green

Assume 75% conversion efficiency from the IR to the green• This would require 15 kJ in the IR• This would be above the damage

threshold for 1.5 ns pulses

It would be best to have two beamlines at 7.5 kJ each to pump the OPCPA’s• This is within the capabilities of a

four-pass EP-like beamline



User Driven Science

PerformanceGaps



Materiel Needs


Facility Concept

A Pre-Conceptual Design has been developed for optical lasers for MaRIE that meet the Functional Requirements that deliver the science case for a

unique facility for In situ, dynamic measurements of real materials in extreme environments coupled to

directed synthesis via predictive theory


Acknowledgments

MaRIE Core team leads: John Sarrao, Don Rej, John Tapia, Micheline Devaurs, Mike Stevens, Rich Sheffield, John Erickson, Turab Lookman, Mark Bourke, Mark McClesky, …

Laser requirements and design: John Benage, Juan Fernandez, Manuel Hegelich, Sam Letzring

Multi-Probe Diagnostic Hall Board of Directors, leadership and review committee: Mike Stevens, David Robbins, Dana Dattelbaum, Juan Fernandez, …


BACKUP


A refresher: The design energy of needed photons is a trade-off between coherent scattering (elastic signal) and incoherent (inelastic heating)


A high-energy-photon (50-115 keV) XFEL allows multigranular sample penetration and multipulse dynamics without significant sample perturbation

MaRIE photon needs can be met by an XFEL that is technically feasible and affordable and provides unique scattering and imaging capabilities to bridge the micron gap in extreme environments

Slide 26

Energy Peak Brightness Average Brightness Hutches (beam lines)MaRIE is a very-hard x-ray (50-keV) FEL

(high peak) with several (~5) hutches but low average brightness

It is aimed at mesoscale material dynamics and radiation damage and in-situ measurements of multi-granular stochastic samples whose performance is determined by rare events

Light Sources are differentiated by:


MaRIE will uniquely provide multiple probes simultaneously providing data at multiple scales

Proton radiography provides imaging through thicker directions of samples, over longer durations: often a “survey” instrument of experimental conditions, providing vital “support” for interpretation of more focused diagnostics.

Electron radiography provides high-resolution in space and time imaging with high accuracy on density.

The x-ray laser can provide:• Phase-contrast imaging especially of interfaces• Diffractive imaging of defects and grain development• Region-localized (down to sub-granular) diffractive information providing phase

change, orientation, and strain information• Spectroscopic information, possibly including impurities, temperature• And more…

Fast optical diagnostics provide surface information, including displacement, velocity, shear, temperature, …


Slide 28

To Minimize Impact On End Station Requirements And To Reduce Linac Risk, We Have Decided On An Pre-Conceptual West To East Reference Design For CD-0

Scientific and Facility Functional Requirements for Optical Laser Systems at the

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