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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

New Design Yields Robust Large-Area Framing Camera

Manuscript to be submitted to Review of Scientific Instruments to determine interest in possible publication. Website: https://aip.scitation.org/rsi/authors/manuscript High-speed imaging is a core diagnostic capability for the Nevada National Security Site (NNSS). Data from experiments that measure the behavior of materials under extreme conditions are essential for the stockpile mission. For example, during subcritical experiments, materials that are shocked and compressed under high-explosive drive change behavior rapidly over timescales measured in millionths or even billionths of a second. Characterizing and understanding this behavior requires radiographic and/or optical imaging to track motion on these timescales. Framing cameras provide a discrete series of images over a short period of time in a manner that mimics a high-speed movie camera, but with individual shutter times that must be extremely short in order to capture freeze-frame images of rapidly evolving phenomena such as high-explosive shock-driven ejecta, dynamic compression of metals, and high-velocity fluid flow.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Enabling accurate chemical modeling of shocked energetic materials using a machine learning interatomic potential

Understanding the complex chemistry of organic materials under dynamic compression is important for many applications, but it is challenging due to the large number of reactions occurring at various time scales. Here, in this study, we develop a machine learning potential based on Chebyshev polynomials to study the insensitive energetic material 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) under detonation. We discuss a strategy for constructing diverse training data needed to capture the complex chemistry of TATB. Our potential demonstrates strong transferability across a wide range of thermodynamic conditions and other explosives, enabling accurate and reliable chemical modeling of organic materials under extreme conditions. The efficiency of our approach allows for simulations over several nanoseconds and for large system sizes, providing detailed insights into the chemistry of shocked TATB. The model accurately reproduces experimental Hugoniot equation of state data, and our simulations reveal the rapid formation of nitrogen-rich carbon clusters following shock. The methods and datasets developed here offer a robust framework for accurate chemical modeling of other shocked organic energetic materials.

Chemistry↗
DOE OSTI2022

Application of reference-free natural background–oriented schlieren photography for visualizing leakage sites in building walls

Air leakage in buildings can cause health and comfort concerns for occupants and can contribute to mold growth on building materials, or in extreme conditions, rot of building materials. Unwanted air leakage through the building envelope also contributes to approximately 4 quadrillion Btu (1172 TWh) of energy consumption per year in the building sector in the United States. Locating and sealing leakage sites can improve the energy efficiency, comfort, air quality, and moisture durability of the building stock. Typical methods of finding leakage sites, such as infrared imaging and smoke tracing, rely on concurrent blower door operation, which can also measure the total leakage rate of the building. Smoke tracing can be disruptive to occupants, and infrared imaging and smoke tracing cannot measure the contribution of individual leaks to prioritize sealing efforts. Here, an optical fluid flow imaging technique, reference-free natural background–oriented schlieren imaging, was adapted to visualize air exfiltration. This is the first step in developing a method to noninvasively locate and measure exfiltration or infiltration sites so that sealing efforts can be prioritized. Experimental results of this technique are presented, demonstrating the method's applicability to visualizing exfiltration through three common building claddings in an outdoor environment. Key variables impacting the performance of this technique when applied to building leakage are also discussed.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

The Design of Relativistic Ultrafast Electron Diffraction and Imaging (RUEDI) Facility for Materials in Extremes

Materials in extreme conditions in terms of temperature and pressure are of great interest where novel phenomena are expected for new science and materials design. A wide range of materials are of interest, including warm dense matter, particulate materials, liquid materials, fusion materials and geophysical materials. Their environments also range from liquid phase, gas phase and cryogenic temperatures. Here, the conditions often correspond to the level of the interiors of planets or stars. Such conditions are, however, typically not available in the laboratory. In addition, novel phenomena exist as transition structures that occur at an extremely short time scale in the harsh environments, which are often difficult to be modelled.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High-pressure and temperature neural network reactive force field for energetic materials

Reactive force fields for molecular dynamics have enabled a wide range of studies in numerous material classes. These force fields are computationally inexpensive compared with electronic structure calculations and allow for simulations of millions of atoms. However, the accuracy of traditional force fields is limited by their functional forms, preventing continual refinement and improvement. Therefore, we develop a neural network-based reactive interatomic potential for the prediction of the mechanical, thermal, and chemical responses of energetic materials at extreme conditions. The training set is expanded in an automatic iterative approach and consists of various CHNO materials and their reactions under ambient and shock-loading conditions. Further, this new potential shows improved accuracy over the current state-of-the-art force fields for a wide range of properties such as detonation performance, decomposition product formation, and vibrational spectra under ambient and shock-loading conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Ta compressibility to 20+ Mbar

Developing techniques for experimentally constraining equation of state (EOS) models for important programmatic materials under extreme conditions is vital for advancing our modeling and predictive capabilities. Tantalum is a frequently used standard material for both calibration and testing, and this report describes our work to both measure Ta compressibility to very high pressures and densities using the Ramp Compression Equation of State platform on the National Ignition Facility (NIF). Using a series of seven shots, increasing in peak pressure with each shot, we have made absolute measurements of the compressibility of Ta along the ramp compression path up to 2.3 TPa. Previous experimental measurements constrained the cold compressibility up to ~400 GPa, and there is a spread in the EOS models above that pressure. To improve communication and collaboration between the experimental team and the EOS development group, these new data, along with other experimental and theoretical constraints, were used to develop a Ta equation of state table, M73000. This report first describes the experimental measurements made at the NIF, and then discusses the construction of the EOS model. The ramp compression data can be found in tabular form in Appendix A. Appendix B contains some additional experimental details. In Appendix C we include some additional details on the EOS modeling. At the end of this document, we have attached a detailed report on the NIF ramp compression platform itself and in the main text referenced specific sections for additional details.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Information-entropy-driven generation of material-agnostic datasets for machine-learning interatomic potentials

In contrast to their empirical counterparts, machine-learning interatomic potentials (MLIAPs) promise to deliver near-quantum accuracy over broad regions of configuration space. However, due to their generic functional forms and extreme flexibility, they can catastrophically fail to capture the properties of novel, out-of-sample configurations, making the quality of the training set a determining factor, especially when investigating materials under extreme conditions. We propose a novel automated dataset generation method based on the maximization of the information entropy of the feature distribution, aiming at an extremely broad coverage of the configuration space in a way that is agnostic to the properties of specific target materials. The ability of the dataset to capture unique material properties is demonstrated on a range of unary materials, including elements with the FCC (Al), BCC (W), HCP (Be, Re and Os), graphite (C), and trigonal (Sb, Te) ground states. MLIAPs trained to this dataset are shown to be accurate over a range of application-relevant metrics, as well as extremely robust over very broad swaths of configurations space, even without dataset fine-tuning or hyper-parameter optimization, making the approach extremely attractive to rapidly and autonomously develop general-purpose MLIAPs suitable for simulations in extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Behavior of soda-lime silicate glass under laser-driven shock compression up to 315 GPa

Shock experiments give a unique insight into the behavior of matter subjected to extremely high pressures and temperatures. Understanding the behavior of materials under such extreme conditions is key to modeling material failure and deformation dynamics under impact. While studies on pure silica are extensive, the shock behavior of other commercial silicates that contain additional oxides has not been systematically investigated. To better understand the role of composition in the dynamic behavior of silicates, we performed laser-driven dynamic compression experiments on soda-lime glass (SLG) up to 315 GPa. Using the accurate pulse shaping offered by the long pulse laser system at the Matter in Extreme Conditions end-station at the Linac Coherent Light Source, SLG was shock compressed along the Hugoniot to multiple pressure-temperature points. Velocity Interferometer System for Any Reflector was used to measure the velocity and determine the pressure inside the SLG. The U s –u p relationship obtained agrees well with the previous parallel plate impact studies. Within the error bars, no transformation to the crystalline phase was observed up to 70 GPa, which is in contrast to the behavior of pure silica under shock compression. Our studies show that the glass composition strongly influences the shock compression behavior of the silicate glasses.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quasi-static to Dynamic Response and Microstructure Development of Tantalum-Tungsten Alloys

Lawrence Livermore National Laboratory (LLNL) has a need to understand the quasi-static to dynamic mechanical response and microstructure evolution of tantalum-tungsten (Ta-W) alloys made by conventional wrought processing and additive manufacturing (AM). This two-year work scope will be performed at the Colorado School of Mines (Mines) and will include quasi-static (e.g., 10 -3 s -1 ) mechanical testing in tension and compression, along with high strain rate (Kolsky) pressure bar testing in tension and compression (e.g., 10 3 s -1 ), without and with temperature variations. Gas gun experiments at higher strain rates (e.g., over 10 3 s -1 ) will also be pursued. Complementary microstructure characterization will be performed on undeformed and deformed samples to fundamentally understand the role of processing on the microstructure characteristics and resulting deformation mechanisms that dictate the mechanical response of these alloys with variations in strain rate, temperature, and strain state. Alloys of interest will be Ta-based, containing up to 10 wt.% W. LLNL will supply initial wrought-processed material for sample machining. LLNL will also supply samples built by AM during the project for testing. Arc melting and casting may also be performed at Mines to produce small quantities of different alloys for machining and exploratory testing on an as-needed basis. This project will support multiple postdocs and graduate students at Mines, training them with the knowledge, skills, and abilities needed to study materials under extreme conditions of interest to the National Nuclear Security Agency.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Inference of strength and phase transition kinetics in dynamically-compressed tin

Dynamic compression experiments in condensed matter are of interest in part because they provide opportunities to examine material response under extreme conditions; however, the inference of material behavior from dynamic experiments is challenging in the presence of phase transitions exhibiting kinetic processes. Demonstrating an approach to quantitative interpretation of such dynamic experiments, here we present a Bayesian model calibration of strength and phase transformation parameters to data drawn from pulsed power and gas gun shot experiments. The posterior predictions of the Bayesian model capture the experimental measurements and account for the various uncertainties in the experimental configurations. This holistic approach to model calibration utilizing multiple types of experimental data identifies important cross correlations among kinetics, strength, and the phase boundary. Improved insight into potential sources of current model form error is provided by comparing the differences between calibrations against different subsets of the experimental data.

42 ENGINEERING↗
DOE OSTI2025

Monitoring the Structural Health of the Stage-Four Gibbs Resistor In Order to Maintain a Functioning Pulse-Forming Network

The Dual-Axis Radiographic Hydrodynamic Test (DARHT) facility at Los Alamos National Laboratory (LANL) is a critical facility used for nuclear weapons research and development (Los Alamos National Laboratory). Its primary function is to provide high-resolution, real-time images of the behavior of materials under extreme conditions, specifically during the hydrodynamic testing of nuclear weapons surrogates. The facility uses advanced radiographic techniques, such as dual-axis X-ray imaging, to capture detailed snapshots of these materials as they react to high-pressure environments. DARHT plays a key role in maintaining the safety, security, and reliability of the U.S. nuclear arsenal, supporting the Stockpile Stewardship Program. The facility helps ensure that nuclear weapons perform as designed without the need for nuclear tests. Its dual-axis radiography provides more precise data than traditional single-axis imaging, offering a comprehensive view of the internal dynamics of a weapon's primary stage.

42 ENGINEERING↗
DOE OSTI2022

High-Throughput Nanoindentation Mapping of Additively Manufactured T91 Steel

Here, this work aims to adapt nanoindentation mapping combined with a k-means algorithm as a high-throughput technique to study the nano-scale spatial changes in mechanical properties for a heterogeneous material. This technique can also classify the individual data points based on their properties. Hundreds to thousands of indents were performed on additively manufactured T91 at room temperature, 300°C, 400°C, and 500°C across a square area with a side length of 120 μm to 400 μm. From this data, the hardness and reduced modulus at each point could be calculated and mapped. Using k-means clustering, we were able to arrange the data into three or four clusters corresponding roughly to the ferritic and martensitic phases as well as one or two intermediate clusters sampling both the phases. The hardness of these two phases appears to be quite stable as a function of temperature. Nanoindentation mapping and the k-means algorithm can therefore be used to rapidly assess the feasibility of heterogeneous materials under extreme conditions, such as nuclear reactor steels.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Multiplexed Hybrid Velocimeter

Optical velocimetry systems play a crucial role in studying the dynamic behavior of materials under extreme conditions. Two prominent systems used at the Nevada National Security Site are the velocity interferometer system for any reflector(VISAR) and the photon Doppler velocimeter (PDV) system. Their ability to accurately measure surface motion ranging from 0 to > 20km=s without interacting with material flow enables experimenters to construct thermodynamic equations of state for materials of interest. A number of modifications to VISAR and PDV have taken place over the past five decades, leading to improved performance, increased recording capacity, and a reduction in operational burden. Prior efforts to develop a hybrid velocimeter combining the advantages of both PDV and VISAR into a single diagnostic did not take into account progress in PDV technology or new optical components that had not been developed. This thesis describes the design and implementation of a multiplexed hybrid velocimeter (MHV) based on time-multiplexing techniques, an optical hybrid, and polarization-maintaining fiber and components. Data from experiments, compared with current velocity systems, serve to demonstrate the hybrid's performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

EFRC Materials Science of Actinides (Final Report)

The Energy Frontier Research Center Materials Science of Actinides (MSA) conducted basic research from 2009-2019. The scientific personnel and participating institutes changed several times during the evolution of the Center, and in total included 24 senior investigators, four national laboratories, and ten universities. Workforce development was a motivating goal of the university-led Center, which included many undergraduate, graduate, and post-doctoral researchers. The center focused on the actinide elements, which arise from the sequential filling of the 5f electron orbitals. Although the specific themes evolved during the Center’s history, the final research themes were: (1) Nanoscale Cage Clusters, (2) Complex Ceramic and Metallic Materials, and (3) Materials Under Extreme Environments. To date, the Center has produced 254 peer-reviewed journal publications and book chapters that acknowledged only the EFRC funding, and an additional 161 journal publications and book chapters that acknowledged funding from the EFRC and additional sources (a few manuscripts are still in preparation). Broad highlights include: (1) Development of an extensive family of actinide nanomaterials that self-assemble in aqueous solution, an understanding of their formation mechanisms and stabilities, and possible uses in nuclear fuel cycles; (2) Establishment of facilities and methodologies to conduct high-temperature calorimetry on transuranium materials, and extensive thermodynamic-based studies of uranium and thorium compounds important to the nuclear fuel cycle; (3) A vastly improved understanding of the behavior of actinide materials in extreme conditions, including high radiation fields, temperatures, and pressures, as well coupled effects of two or more of these; (4) Development of resonance ultrasound spectroscopy and direct measurement of aging of plutonium alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Tamped Richtmyer–Meshkov Instability Experiments to Probe High-Pressure Material Strength

Abstract Dynamic interface instabilities such as Rayleigh–Taylor, Kelvin–Helmholtz, and Richtmyer–Meshkov are important in a number of physical phenomena. Besides meriting study because of their role in natural events and man-made applications, they can also be used to study constitutive properties of materials in extreme conditions. Both RTI and RMI configurations have been used to study the strength of solids at high strain rates, though RMI has largely been limited to zero or ambient pressure. Recently, advances in imaging have allowed tamped RMI experiments to be performed in which the pressure is maintained above ambient. In this study, we examine the tamped RMI for determining material strength. Through simulation, we explore the behavior of the jetting material and examine the sensitivity of jetting to material properties. We identify simple scaling laws that relate the key physical parameters controlling jetting, which are compared to previous results from the literature. We use these scaling law and other considerations to examine issues associated with tamped RMI experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Pressure-induced spin crossover in a Fe 78 Si 9 B 13 metallic glass

The pressure effect on structures and properties of a Fe 78 Si 9 B 13 metallic glass was investigated by in situ high-pressure synchrotron Fe Kβ x-ray emission spectroscopy and x-ray diffraction, and electrical resistivity measurements up to ~51 GPa. The study reveals a reversible and continuous pressure-induced high- to low-spin crossover of Fe atoms in an amorphous structure. The changes of the local spin moment can be scaled to match its average atomic distance shrinkage very well during compression. The crossover of electronic spin states in the Fe 78 Si 9 B 13 metallic glass resembles that of typical crystalline Fe-bearing materials but without a sharp atomic volume collapse and an abrupt electrical resistivity jump. Furthermore, these findings could help guide applications of Fe-based metallic glasses as a soft ferromagnetic material at extreme conditions and also improve our understanding of magnetism and coupling of its changes with disordered atomic structures and other properties in metallic glasses.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Visualization of shocked material instabilities using a fast-framing camera and XFEL four-pulse train

Many questions regarding dynamic materials could be answered by using time-resolved ultra-fast imaging techniques to characterize the physical and chemical behavior of materials in extreme conditions and their evolution on the nanosecond scale. In this work, we perform multi-frame phase-contrast imaging (PCI) of micro-voids in low density polymers under laser-driven shock compression. At the Matter in Extreme Conditions (MEC) Instrument at the Linac Coherent Light Source (LCLS), we used a train of four x-ray free electron laser (XFEL) pulses to probe the evolution of the samples. To visualize the void and shock wave interaction, here, we deployed the Icarus V2 detector to record up to four XFEL pulses, separated by 1-3 nanoseconds. In this work, we image elastic waves interacting with the micro-voids at a pressure of several GPa. Monitoring how the material’s heterogeneities, like micro-voids, dictate its response to a compressive wave is important for benchmarking the performances of inertial confinement fusion energy materials. For the first time in a single sample, we have combined an ultrafast x-ray framing camera and four XFEL pulse train to create an ultrafast movie of micro-void evolution under laser-driven shock compression. Eventually, we hope this technique will resolve the material density as it evolves dynamically under laser shock compression.

fusion↗
DOE OSTI2023

Transonic dislocation propagation in diamond

Here, the motion of line defects (dislocations) has been studied for more than 60 years, but the maximum speed at which they can move is unresolved. Recent models and atomistic simulations predict the existence of a limiting velocity of dislocation motion between the transonic and subsonic ranges at which the self-energy of dislocation diverges, though they do not deny the possibility of the transonic dislocations. We used femtosecond x-ray radiography to track ultrafast dislocation motion in shock-compressed single-crystal diamond. By visualizing stacking faults extending faster than the slowest sound wave speed of diamond, we show the evidence of partial dislocations at their leading edge moving transonically. Understanding the upper limit of dislocation mobility in crystals is essential to accurately model, predict, and control the mechanical properties of materials under extreme conditions.

36 MATERIALS SCIENCE↗