Operated by Los Alamos National Security LLC LAUR11

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

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 Ma. RIE 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 Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

The needs for materials in extremes are many; the challenge is common: revolutionary advances in controlled functionality MATERIALS MATTER!! Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED Slide 3

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-DESIGN MATERIALS DISCOVERY EXPERIMENT • Extreme fields • In-situ multiple probes COMPUTATION • Simulation Codes • Data analysis & visualization Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED g in um rm nu o f i In ont ling c de o m

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. 01 -. 1 ns Single crystal (1) dt ≈ 0. 1 ns Polycrystal (≈ 8 X 8 X 8) Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED Continuum (≈> 8) Slide 5 Coarse-scale simulations spawn sub-scale direct simulations as needed.

Ma. RIE 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 (F 3: Fission and Fusion Materials Facility) Comprehensive, integrated resource for materials synthesis and control, with national security infrastructure (M 4: 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 Ma. RIE will provide unprecedented international user resources Slide 6 Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

Ma. RIE science case forms the basis of a requirements-driven definition of the facility User Driven Science Materiel Needs Functional Requirements Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED Alternatives Analyses Performance Gaps Preferred Alternative & Roadmap Facility Concept

Ma. RIE 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 Ma. RIE-inspired dialogue (and we continue to host workshops) Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED Slide 8

Compelling Applications of Decadal Challenges in Dynamic Extremes for Ma. RIE Drive Key System Requirements e-beam n Meso-scale Material Dynamics optical laser VISAR XFEL o Response of multi-granular material to dynamic deformation o Micron-scale insights towards predicting high explosives p. Rad o Radiation-induced damage optical laser o Includes key earth science materials n Multi-scale Fluid Dynamics o Measure 3 D multi-scale mean flow and turbulence o Variable material turbulent flows for diverse applications o Ability to measure all relevant scales for validation n Path Dependence and Variable Path Loading o High-repetition flexible means of dynamic loading o Capability to explore key regimes of stress-strain o Kinetics and time dependence on the frontier n Warm Dense Matter o Chemistry of a new periodic table o Controlling the performance of solids to plasmas Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED XFEL Turbulent spray

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) Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED The model : - Accurate subgrain models of microstructure evolution coupled to molecular dynamics Slide 10 Team includes: Curt Bronkhorst et al. (LANL, UK AWE, BYU, Cal. Tech, Ohio State, …)

Example of Science Requirements Driving Pre-Conceptual Reference Design Specs 1 st Experiment Science Material Samples: Z values: from Be to Pu Requirements “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 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 ke. V (optimum driven by sample materials size, ray absorption, sample temperature limits) Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED Measurements in Dynamic Environment: 3 D 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 x-

Ma. RIE science case forms the basis of a requirements-driven definition of the facility User Driven Science Materiel Needs Dynamic Extremes Microstructure Evolution Stochastic Explosive Microstructure & Detonation Fluid/Mineral Interactions in 3 -D Measurements of Turbulent Radiation Extremes Functional Requirements Environments Dynamic pressure: 4 – 200 GPa Strain rate = 10 -3 – 107 s-1 Temperature = 4 – 3000 K ± 0. 2 – 1% High Explosives < 500 g (w/<30 g 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 Irradiation Stability of Structural Nanocomposites Fission Gas Bubble & Swelling in UO 2 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 Measurements Control of Complex Materials & Processes Density Imaging 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/ Functionally Integrated Nanostructures Process-Aware Materials Performance Alternatives Analyses Scattering Defects: 1 nm res over 10 mm Stress: 1 -2 mm res over 100 mm Lattice Strain: 10 nm res in 3 D 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 3 D chemistry mapping w/ 1 mm res Themo-Physical Measurements Temperature: 1 mm res Thermal Conductivity w/ 1 m. W/m-K res Synthesis with Characterization Organic, inorganic, biomaterials incl nanomaterials, HE & actinides Nanostructured Ferritic Alloys Thin films with buried interface Exploring Separate Effects in Pu characterization Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED Performance Gaps Preferred Alternative & Roadmap Facility Concept 50 ke. V coherent x-ray source with 1011 photons in < 1 psec focused to 1 -100 mm Dynamic charged particle imaging with 20 -Ge. V electrons High-power optical laser systems (Omega EP-like) Tunable ultrashort x-ray source for excitation: 5 -35 ke. V, 100 fs, focused to 10 nm Ultra short pulse lasers for spectroscopy: THz to VUV MW fast neutron source with 2 x 1015 n/cm 2 -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, FESEM, AFM, SALVE, ion beams Data Visualization w/ 1 MB 10 TB available per expt. Build upon $B LANSCE site credits by adding: • Accelerator Systems Ø Electron Linac w/XFEL Ø LANSCE power upgrade • Experimental Facilities Ø Multiprobe Diagnostic Hall (MPDH) Ø Fission-Fusion Materials Facility (F-cubed) Ø Making, Measuring, & Modeling Material Facility (M 4)

Science-driven Requirements Lead to Integrated Facility Needs Fulfilled by Ma. RIE User Driven Science Materiel Needs Functional Requirements Alternatives Analyses Performance Gaps Preferred Alternative & Roadmap Facility Concept Slide 13 Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

Variable Loading Path First Experiments set requirements for high-energy optical drive laser systems 1 st Experiments Science Dynamic Environment: Requirements 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 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) 80 k. J IR in a ~125 ns pulse-width for direct-drive 70 k. J IR in a > 100 ns, < 10 us pulse –width for plasma piston 9 k. J IR in a 10 us pulse- width for flyer plate OMEGA EP beamlines as basis-of-estimate 5 mm gas gun (up to 15 [? ] km/sec flyer) Optical Drive Laser: • Direct-drive • Plasma-Piston • Flyer-Plate 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/cm 2 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. Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

Internal review committee evaluating dynamic environmental functional requirements (Robbins et al. ) Stress (GPa) NIF ε LCLSMEC ε (sec-1) Previous analysis of dynamic environments of interest based on Campaign 2 Strength and Damage workshop Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

7 key materials physics drivers for the current U. S. matter-inextremes 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 Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED 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 – 100 s ns 0. 01 – 1000 s ns 10 s – 1000 s 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 • Ma. RIE 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 Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

Internal review committee evaluating dynamic environmental functional requirements (Robbins et al. ) Evaluation criteria for dynamic drive systems • 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 Operated by Los Alamos National Security, NNSA U N LLC C L for AS S I F I E Dand 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. Ma. RIE (well “beyond in time” EXFEL) is interested in multi-granular “real” materials, at multiple scales requiring multiple probes Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

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 watercooled 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 Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

Short-pulse laser is needed to drive secondary radiation and create WDM: design depends on energy efficiency n n A 3 k. J- 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 • n n OPCPA’s are large non-linear crystals pumped by 1 -2 ns green laser pulses n • n n This would require 15 k. J 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 k. J each to pump the OPCPA’s • Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED This would require 11. 25 k. J in the green Assume 75% conversion efficiency from the IR to the green • • n 4. 5 k. J in to get 3 k. J out Assume 40% efficiency in the OPCPA’s • A 3 k. J 30 fs laser would use two stages of amplification- each stage requiring several k. J of green light at 1 -2 ns Two additional 4 -pass beamlines would provide the pump pulses Assume 66% efficiency in the compressor This is within the capabilities of a fourpass EP-like beamline

Ma. RIE science case forms the basis of a requirements-driven definition of the facility User Driven Science Materiel Needs Functional Requirements Alternatives Analyses Performance Gaps Preferred Alternative & Roadmap Facility Concept A Pre-Conceptual Design has been developed for optical lasers for Ma. RIE 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 Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

Acknowledgments n Ma. RIE Core team leads: John Sarrao, Don Rej, John Tapia, Micheline Devaurs, Mike Stevens, Rich Sheffield, John Erickson, Turab Lookman, Mark Bourke, Mark Mc. Clesky, … n Laser requirements and design: John Benage, Juan Fernandez, Manuel Hegelich, Sam Letzring n Multi-Probe Diagnostic Hall Board of Directors, leadership and review committee: Mike Stevens, David Robbins, Dana Dattelbaum, Juan Fernandez, … Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

BACKUP Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

A refresher: The design energy of needed photons is a trade-off between coherent scattering (elastic signal) and incoherent (inelastic heating) Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

Ma. RIE 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: n Energy n Peak Brightness n Average Brightness n Hutches (beam lines) A high-energy-photon (50 -115 ke. V) XFEL allows multigranular sample penetration and multipulse dynamics without significant sample perturbation Ma. RIE is a very-hard x-ray (50 -ke. V) 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 multigranular stochastic samples whose performance is determined by rare events Slide 26 Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

Ma. RIE will uniquely provide multiple probes simultaneously providing data at multiple scales n 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. n Electron radiography provides high-resolution in space and time imaging with high accuracy on density. n The x-ray laser can provide: • • • n 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, … Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED

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 Slide 28 Operated by Los Alamos National Security, NNSA U N LLC C L for AS SIFIED