Scientific and Facility Functional Requirements for Optical Laser Systems at the

1. Operated by Los Alamos National Security, LLC, for the U.S. Department of Energy Scientific and Facility Functional Requirements for Optical Laser Systems at the Matter‐Radiation Interactions in Extremes (MaRIE) Facility Cris W. Barnes Los Alamos National Laboratory September 7, 2011 LA-UR-11-05162

2. 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 environments Dynamic & irradiation extremes coupled to directed synthesis via predictive theory Materials design & discovery

3. The needs for materials in extremes are many; the challenge is common: revolutionary advances in controlled functionality MATERIALS MATTER!! Slide 3

4. Anticipated advances in exascale computing, experimental tools with unprecedented resolution, and modeling put us on the verge of accessing critical phenomena at themeso(micron) scale Informing continuum modeling • THEORY/MODELS • Spatial & time • heterogeneity • Bridging scales CO-DESIGN MATERIALS DISCOVERY • COMPUTATION • Simulation Codes • Data analysis & • visualization • EXPERIMENT • Extreme fields • In-situ multiple • probes

5. Our Strategy: an Uncertainty Quantification (UQ) approach to Adaptive Physics Refinement Moving refinement window dt ≈ 0.001-.01 ps Atomistics dt ≈ 2 ns Velocity dt ≈ 0.1 ns dt ≈ 0.01-.1 ns Single crystal (1) Polycrystal (≈ 8X8X8) Continuum (≈> 8) Coarse-scale simulations spawn sub-scale direct simulations as needed.

6. MaRIE builds on the LANSCE facility to provide unique experimental tools to meet this need • 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 XFEL • Unique simultaneous photon-proton imaging measurements • Unique spallation neutron-based irradiation capability • Unique in-situ, transient radiation damage measurements • Unique materials design and discovery capability MaRIE will provide unprecedented international user resources

7. MaRIE science case forms the basis of a requirements-driven definition of the facility User Driven Science Functional Requirements Performance Gaps Facility Concept Preferred Alternative & Roadmap Alternatives Analyses Materiel Needs

8. MaRIE science agenda has matured over last 3 years through external workshops & formation of user teams (2011) 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) Slide 8

9. Compelling Applications of Decadal Challenges in Dynamic Extremes for MaRIE Drive Key System Requirements e-beam • Meso-scale Material Dynamics • Response of multi-granular material to dynamic deformation • Micron-scale insights towards predicting high explosives • Radiation-induced damage • Includes key earth science materials VISAR optical laser XFEL pRad optical laser • Multi-scale Fluid Dynamics • Measure 3D multi-scale mean flow and turbulence • Variable material turbulent flows for diverse applications • Ability to measure all relevant scales for validation XFEL Turbulent spray • Path Dependence and Variable Path Loading • High-repetition flexible means of dynamic loading • Capability to explore key regimes of stress-strain • Kinetics and time dependence on the frontier • Warm Dense Matter • Chemistry of a new periodic table • Controlling the performance of solids to plasmas

10. Example: Predicting and preventing materials damage Understanding the role of microstructure-based heterogeneity evolution in material 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 Slide 10 Team includes: Curt Bronkhorst et al. (LANL, UK AWE, BYU, CalTech, Ohio State, …)

11. Example of Science Requirements Driving Pre-Conceptual Reference Design Specs 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 resolution Phase 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 1st Experiment Science Requirements Dynamic experiment with theory, simulation, & information sciences to discover small-scale dynamic phase transformation & damage/failure events. Facility Requirements Electron Accelerator & XFEL Specifications Sample Size: 0.05-0.5 mm thin, up to 15 mm in the thick direction Flyer Plate Velocity: 100-1500 m/s X-Ray Source Coherent Diffraction Imaging: 1011 photons/pulse w/transverse & long. coherence Crystal 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)

12. MaRIE science case forms the basis of a requirements-driven definition of the facility Dynamic Extremes Microstructure Evolution Stochastic Explosive Microstructure & Detonation Fluid/Mineral Interactions in 3-D Measurements of Turbulent Radiation Extremes Irradiation Stability of Structural Nanocomposites Fission Gas Bubble & Swelling in UO2 Nuclear Fuel Mechanical Testing of Structural Materials in Fusion/Fission Environ. Measurements of Temperature, Microstructure & Thermal Transport Rad Damage in Passive Oxide Films & its Influence on Corrosion Control of Complex Materials & Processes Understanding Emergent Phenomena in Complex Materials Developing Practical Superconductors by Design Energy Conversion & Storage Achieving Practical High-Density Energy Storage Through New Support/Catalyst Electrode Systems Solar Energy Conversion w/ Fun-ctionally Integrated Nanostructures Process-Aware Materials Performance Nanostructured Ferritic Alloys Exploring Separate Effects in Pu User Driven Science Functional Requirements Performance Gaps Facility Concept Preferred Alternative & Roadmap Alternatives Analyses Materiel Needs Environments Dynamic pressure: 4 – 200 GPa Strain 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/fpy He(appm)/dpa ratios: 0.1-1, 9-13 Irrad Volume: 0.1 liter @ >35 dpa/yr Measurements Scattering • Defects: 1 nm res over 10 mm • Stress: 1-2 mm res over 100 mm • Lattice Strain: 10 nm res in 3D Density Imaging • 0.1-1 nm, <1-ps res over 10 mm • 10 nm, <1-ps over 50 mm • 0.1-1 mm, < 0.3 ns over 0.1-1 mm Spectroscopic • 3D chemistry mapping w/ 1mm res Themo-Physical Measurements • Temperature: 1 mm res • Thermal Conductivity w/ 1 mW/m-K res Synthesis with Characterization Organic, inorganic, biomaterials incl nanomaterials, HE & actinides Thin films with buried interface characterization 50 keV coherent x-ray source with 1011 photons in < 1psec focused to 1-100 mm Dynamic 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 VUV MW fast neutron source with 2x1015 n/cm2-s and >4000 h/yr operation with < 10 beam trips per day over 1 min Crystal growth with control of impurities & defects Deposition w/CVD, PVD, evaporation, ion beams Nanofab w/lithography, dry & wet etch, thermal processing Characterization w/ SEM, FE-SEM, AFM, SALVE, ion beams Data Visualization w/ 1MB-10TB available per expt. • 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

13. Science-driven Requirements Lead to Integrated Facility Needs Fulfilled by MaRIE Preferred Alternative & Roadmap Alternatives Analyses Materiel Needs User Driven Science Functional Requirements Performance Gaps Facility Concept

14. Variable Loading Path First Experiments set requirements for high-energy optical drive laser systems Dynamic Environment: Samples with load diameter <3 mm Stress 4->200 GPa Strain rate up to 107 sec-1 Load durations <2 microseconds Over 10 and up to 20 dynamic shots per 8-hour shift Measurements in Dynamic Environment: Stress and strain Internal 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 1stExperiments Science Requirements Variable strain-rate loading required to access path-dependence measurements of phase, strength, and other constitutive properties Facility Functional Requirements Optical Laser System Requirements 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 • 80 kJ IR in a ~125 ns pulse-width for direct-drive • 70 kJ IR in a > 100 ns, < 10 us pulse –width for plasma piston • 9 kJ IR in a 10 us pulse- width for flyer plate • OMEGA EP beamlines as basis-of-estimate P= KI nwhere 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.

15. Internal review committee evaluating dynamic environmental functional requirements (Robbins et al.) NIF Stress (GPa) ε LCLS-MEC ε (sec-1) Previous analysis of dynamic environments of interest based on Campaign 2 Strength and Damage workshop

16. 7 key materials physics drivers for the current U. S. matter-in-extremes efforts • 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 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

17. 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 Chamber 9 Large bore powder gun Trident HERCULES Omega SNL Z machine HE drive

18. Internal review committee evaluating dynamic environmental functional requirements (Robbins et al.) Evaluation criteria for dynamic drive systems Notional • 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 Benefit-to-cost for these and other intangibles?

19. Based on what I’ve heard at this workshop, at this point I open some issues for discussion: • 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.] • The current design is a (constantly evolving) trade-offs between: rep-rate, maximum stress, sample size, cost, project risk (technical readiness level) • MaRIE (well “beyond in time” EXFEL) is interested in multi-granular “real” materials, at multiple scales requiring multiple probes

20. 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 ns At 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

21. Short-pulse laser is needed to drive secondary radiation and create WDM: design depends on energy efficiency • 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 • 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

22. MaRIE science case forms the basis of a requirements-driven definition of the facility Preferred Alternative & Roadmap Alternatives Analyses Materiel Needs User Driven Science Functional Requirements Performance Gaps 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 materialsin extreme environments coupled to directed synthesis via predictive theory

23. Acknowledgments • MaRIE Core team leads: John Sarrao, Don Rej, John Tapia, MichelineDevaurs, Mike Stevens, Rich Sheffield, John Erickson, TurabLookman, 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, …

24. BACKUP

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

26. 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 Light Sources are differentiated by: • 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 A high-energy-photon (50-115 keV) XFEL allows multigranular sample penetration and multipulse dynamics without significant sample perturbation

27. 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, …

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