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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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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Thermal exchange-correlation functionals: Capturing quantum electron behavior in warm, dense plasmas

We summarize and give perspective upon recent progress in developing non-empirical constraint-based thermal (i.e., free energy) exchange-correlation (XC) density functionals essential for accurate description of the quantum behavior of electrons in warm, dense plasmas. After delineating the critical role of ground-state functionals for zero-temperature, time-dependent DFT, we outline the underpinnings of local density approximation, generalized gradient approximation (GGA), and meta-GGA XC free-energy functionals. Two basic thermalization principles for upgrading ground-state XC functionals to successful thermal ones are emphasized. Then, we turn to a long-standing challenge, assessment of the accuracy of well-founded functionals. Unlike the ground state, there are a few exact results for large T and P. An exception is path integral Monte Carlo (PIMC) data for dense H/D and He plasmas. For those, we did ab initio molecular dynamics simulations under selected thermodynamic conditions employing five thermal XC functionals: two approximate thermal GGAs, fully thermal GGA, an approximate meta-GGA, and fully thermal meta-GGA. Comparisons with the PIMC data show that functionals thermalized by augmenting a non-thermal functional with a lower-level thermal contribution are inferior to functionals with thermal XC and spatial inhomogeneity effects taken into account at the same level of refinement. We believe this and similar evidence should be convincing to the high-energy density physics community of the necessity of use of proper thermal XC functionals in simulation studies of finite-temperature quantum effects in warm, dense plasmas.

Ab-initio molecular dynamics↗
DOE OSTI2025

Unraveling electronic correlations in warm dense quantum plasmas

The study of matter at extreme densities and temperatures has emerged as a highly active frontier at the interface of plasma physics, material science and quantum chemistry with relevance for planetary modeling and inertial confinement fusion. A particular feature of such warm dense matter is the complex interplay of Coulomb interactions, quantum effects, and thermal excitations, making its rigorous theoretical description challenging. Here, we demonstrate how ab initio path integral Monte Carlo simulations allow us to unravel this intricate interplay for the example of strongly compressed beryllium, focusing on two X-ray Thomson scattering data sets obtained at the National Ignition Facility. We find excellent agreement between simulation and experiment with a very high level of consistency between independent observations without the need for any empirical input parameters. Our results call into question previously used chemical models, with important implications for the interpretation of scattering experiments and radiation hydrodynamics simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Group Conductivity and Nonadiabatic Born Effective Charges of Disordered Metals, Warm Dense Matter, and Hot Dense Plasma

The average ionization state is a critical parameter in plasma models for charged particle transport, equations of state, and optical response. The dynamical or nonadiabatic Born effective charge (NBEC), calculated via first principles time-dependent density-functional theory, provides exact ionic partitioning of bulk electron response for both metallic and insulating materials. The NBEC can be transformed into a “group conductivity,” i.e., the electron conductivity ascribed to a subset of ions. We show that for disordered metallic systems, such as warm dense matter (WDM) and hot dense plasma, the static limit of the NBEC is different from the average ionization states, but that the ionization state can be extracted from the group conductivity even in mixed systems. Here we demonstrate this approach using a set of archetypical examples, including cold and warm aluminium, low- and high-density WDM carbon, and a WDM carbon-beryllium-hydrogen mixture.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Ionization and temperature measurements in warm dense copper using x-ray absorption spectroscopy

We detail experimental results inferring ionization and temperature for warm dense copper plasmas at several times solid density (15–25 g/cm 3 ) and temperatures of 10–21 eV. Experiments performed at the OMEGA Laser Facility generate uniform warm dense matter conditions via symmetric shock compression of a buried copper layer. The plasma is probed with a laser-generated x-ray source to collect the K-shell x-ray absorption spectrum. Fitting bound-bound absorption contributions from constituent charge states of copper provides an estimated $\overline{Z}$ of approximately 4–7 for these warm dense copper plasmas. We find that these partially ionized plasmas have K-edge shifts of 12–30 eV and bound-bound resonance 1s → 3p absorption shifts of 4–26 eV with respect to the cold K edge. This study provides necessary experimental data to improve ionization and opacity models in the warm dense matter regime.

42 ENGINEERING↗
DOE OSTI2025

X-ray microscopy and talbot imaging with the matter in extreme conditions X-ray imager at LCLS

The last decade has shown the great potential that X-ray Free Electron Lasers (FEL) have to study High Energy Density (HED) physics. Experiments at FELs have made significant breakthroughs in Shock Physics and Dynamic Diffraction, Dense Plasma Physics and Warm Dense Matter Science, using techniques such as isochoric heating, inelastic scattering, small angle scattering and X-ray diffraction. In addition, and complementary to these techniques, the coherent properties of the FEL beam can be used to image HED samples with high fidelity. We present new imaging diagnostics and techniques developed at the Matter in Extreme Conditions (MEC) instrument at Linac Coherent Light Source (LCLS) over the last few years. We show results in Phase Contrast Imaging geometry, where the X-ray beam propagates from the target to a camera revealing its phase, as well as in Direct Imaging geometry, where a real image of the sample plane is produced in the camera with a spatial resolution down to 200 nm. Last, we show an implementation of the Talbot Imaging method allowing both X-ray phase and intensity measurements change introduced by a target with sub-micron resolution.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Roadmap for warm dense matter physics

This roadmap presents the state-of-the-art, current challenges and near future developments anticipated in the thriving field of warm dense matter (WDM) physics. Originating from strongly coupled plasma physics, high pressure physics and high energy density science, the WDM physics community has recently taken a giant leap forward. This is due to spectacular developments in laser technology, diagnostic capabilities, and computer simulation techniques. Only in the last decade has it become possible to perform accurate enough simulations & experiments to truly verify theoretical results as well as to reliably design experiments based on predictions. Consequently, this roadmap discusses recent developments of and contemporary challenges for theoretical methods and experimental techniques needed to describe, create and diagnose WDM. A large part of this roadmap is dedicated to specific WDM systems and applications in astrophysics, inertial confinement fusion and novel material synthesis.

dense astrophysical objects↗
DOE OSTI2025

Siegert-pseudostate formulation with B-splines

Siegert states (SSs) serve as a useful basis for studying quantum scattering from finite-range potentials. Since they form a discrete instead of continuous set of eigen-solutions, SSs are convenient for performing electronic structure calculations in atoms, molecules, and plasmas. Numerical instabilities may arise, however, in the computation of SSs if the potential vanishes for some extended region, a situation commonly occurring in plasma calculations. Here, in this paper, we identify the cause of these instabilities as the use of non-localized radial basis functions. We thus advocate the use of localized radial basis functions, in particular B-splines, for more robust computations of SSs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Speed of sound in methane under conditions of planetary interiors

We present direct observations of acoustic waves in warm dense matter. We analyze wave-number- and energy-resolved x-ray spectra taken from warm dense methane created by laser heating a cryogenic liquid jet. X-ray diffraction and inelastic free-electron scattering yield sample conditions of 0.3 ± 0.1 eV and 0.8 ± 0.1 g/ cm − 3 , corresponding to a pressure of ∼ 13 GPa. Inelastic x-ray scattering was used to observe the collective oscillations of the ions. With a highly improved energy resolution of ∼ 50 meV, we could clearly distinguish the Brillouin peaks from the quasielastic Rayleigh feature. Data at different wave numbers were utilized to derive a sound speed of 5.9 ± 0.5 km/s, marking a high-temperature data point for methane and demonstrating consistency with Birch's law in this parameter regime. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Comparing ab initio and quantum-kinetic approaches to electron transport in warm dense matter

Accurate knowledge of the electronic transport properties of warm dense matter is one of the main concerns of research in high-energy-density physics. Three modern approaches with vastly different levels of fidelity are reviewed and compared: the Kubo–Greenwood (KG) approach based on density-functional-theory molecular dynamics simulations (QMD), quantum kinetic theory based on average-atom models, and time-dependent density functional theory. Throughout, emphasis is placed on the connection between static properties of the electrons (e.g., density of states) and transport properties. Overall, it is found that whenever the conduction electrons can be modeled as being nearly free, fair to excellent agreement is found between QMD and kinetic theory approaches. Such a circumstance is required for modeling warm dense matter as a plasma of ions and free electrons, which is assumed in most kinetic theory approaches. The sensitivity of transport properties to the electronic structure is further highlighted by comparing different exchange–correlation approximations in QMD and KG calculations. It is found that the inclusion of exact exchange via thermal hybrid functionals can make a pronounced impact on electrical and thermal conduction in warm dense matter. We also investigate dynamic screening physics via kinetic theory and time-dependent density functional theory calculations of the mean free path of an electron in a hot dense plasma. In sum, we identify three axes along which to make progress in predicting electron transport in warm dense matter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Development of a broadband hard x-ray radiography platform for pulsed-power experiments

In this article, we develop and demonstrate a broadband hard x-ray radiography platform at the Zebra Pulsed Power Laboratory that integrates point-projection radiography, bremsstrahlung measurements, and hard x-ray pinhole imaging, designed to diagnose current-driven, cylindrically compressed matter. Initial laser-pulsed-power coupled experiments revealed that intense background radiation generated during 1 MA Zebra current shots overwhelmed laser-produced hard x-rays, obscuring radiographic images. Using combined spectral and spatial diagnostics, we identify energetic electrons accelerated by return currents as the dominant source of background hard x-rays, with electron energies inferred to be 3–4 MeV based on Monte Carlo simulations, and demonstrate mitigation through modifications to the radiation shielding and return-current configuration. The diagnostic platform was validated using a wire-pinch hard x-ray source, allowing radiographs of static 1-mm-diameter aluminum wires to be obtained while simultaneously measuring x-ray source spectra and spatial emission distributions within a single shot. Measured wire transmission profiles were quantitatively reconstructed using radiation transport simulations that incorporate an experimentally inferred two-temperature exponential x-ray spectrum from bremsstrahlung signal analysis and spatially distributed emission sources identified by pinhole imaging. Agreement between measured and simulated transmission profiles demonstrates the validity of the radiographic and x-ray source characterization approach, establishing this diagnostic platform as a promising tool for diagnosing magnetically driven, high-density plasmas relevant to warm dense matter and inertial fusion energy research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Microscopy X-ray imaging enriched with small angle X-ray scattering for few nanometer resolution reveals shock waves and compression in intense short pulse laser irradiation of solids

Understanding how laser pulses compress solids into high-energy-density states requires diagnostics that simultaneously resolve macroscopic geometry and nanometer-scale structure. Here we present a combined X-ray imaging (XRM) and small-angle X-ray scattering (SAXS) approach that bridges this diagnostic gap. Using the Matter in Extreme Conditions end station at LCLS, we irradiated 25 μm copper wires with 45 fs, 0.9 J, 800 nm pulses at 3.5 × 10 19 W/cm 2 while probing with 8.2 keV XFEL pulses. XRM visualizes the evolution of ablation, compression, and inward-propagating fronts with ∼ 200 nm resolution, while SAXS quantifies their nanometer-scale sharpness via the time-resolved evolution of scattering streaks. The joint analysis reveals that an initially smooth compression steepens into a nanometer-sharp shock front after t sh ≈ (18 ± 3) ps, consistent with an analytical steepening model and hydrodynamic simulations. The front reaches a velocity of c sh ≈ 25 k m / s and a lateral width of several tens of microns, demonstrating direct observation of shock formation and decay at solid density for the first time with few-nanometer precision. This integrated XRM–SAXS method establishes a quantitative, multi-scale diagnostic of laser-driven shocks in dense plasmas relevant to inertial confinement fusion, warm dense matter, and planetary physics.

Kluge, Thomas [Helmholtz-Zentrum Dresden-Rossendor↗
DOE OSTI2025

Generation of strong fields with subcritical density plasmas to study the phase transitions of magnetized warm dense matter

Warm dense matter (WDM) is a regime where Fermi degenerate electrons play an important role in the macroscopic properties of a material. Recent experiments have brought us closer to understanding unmagnetized processes in WDM, but magnetized WDM remains unexplored because kilotesla magnetic fields are required. Although there are examples of field compression generating such fields by imploding pre-magnetized targets, these existing methods give no independent control over the parameters of the magnetized plasma and result in limited laser access for sample creation and diagnosis. In this paper, numerical simulations show that kilotesla magnetic fields can be obtained by shining laser beams onto the inner surface of a cylindrical target, rather than on the outer surface. This approach relies on field compression by a low-density, high-temperature plasma, rather than a high-density, low-temperature plasma, used in the more conventional approach. With this novel configuration, the region of peak magnetic field is mostly free of plasma, hence, other beams can reach a sample placed in the region of the peak field to form WDM and diagnose it.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Collisional stopping power of ions in warm dense matter

Here, a model for the collisional stopping of ions on free electrons in warm dense matter is developed and explored. It is based on plasma kinetic theory, but with modifications to address the warm dense matter regime. Specifically, it uses the Boltzmann-Uehling-Uhlenbeck kinetic equation to incorporate effects of Fermi degeneracy of electrons. The cross section is computed from quantum scattering of electrons and ions occurring via the potential of mean force derived from an average atom model, which incorporates effects of strong Coulomb correlations. Predictions from this model show comparable accuracy to results from time-dependent density functional theory calculations for deuterium near solid density and a temperature of several electronvolts, at a fraction of the computational cost. Further, the model captures the transition of a plasma from the classical limit to the degenerate limit, including qualitative behaviors of solid state theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Quantum fluctuations in dense plasma simulations

Molecular dynamics (MD) simulations are a powerful tool for modeling warm and hot dense matter. Density functional theory (DFT) MD simulations are often preferred in dense plasmas in order to accurately model quantum electronic structure. However, DFT-MD simulations neglect interaction effects due to fluctuations in excited states. In this work, we present an MD approach that uses excited state method pseudoatoms to run dense plasma simulations with many different core-electron configurations at classical MD speeds. We also allow for transitions between different configurations in our simulations and find that these fluctuations are especially important for highly excited states. Our results suggest that finite configuration lifetimes that are comparable to the inverse ion plasma frequency need to be accounted for in order to accurately model ion distributions in dense plasma simulations. We also demonstrate that excited state fluctuations have a direct impact on ion plasma microfields, generate different plasma microfields for different excitation levels, and thereby induce absorption–emission line shape asymmetries even in steady-state plasmas.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Roadmap for warm dense matter physics

This roadmap presents the state-of-the-art, current challenges and near future developments anticipated in the thriving field of warm dense matter physics. Originating from strongly coupled plasma physics, high pressure physics and high energy density science, the warm dense matter physics community has recently taken a giant leap forward. This is due to spectacular developments in laser technology, diagnostic capabilities, and computer simulation techniques. Only in the last decade has it become possible to perform accurate enough simulations \& experiments to truly verify theoretical results as well as to reliably design experiments based on predictions. Consequently, this roadmap discusses recent developments and contemporary challenges that are faced by theoretical methods, and experimental techniques needed to create and diagnose warm dense matter. A large part of this roadmap is dedicated to specific warm dense matter systems and applications in astrophysics, inertial confinement fusion and novel material synthesis.

FOS: Physical sciences↗
DOE OSTI2024

A Platform for Ultra-Fast Proton Probing of Matter in Extreme Conditions

Recent developments in ultrashort and intense laser systems have enabled the generation of short and brilliant proton sources, which are valuable for studying plasmas under extreme conditions in high-energy-density physics. However, developing sensors for the energy selection, focusing, transport, and detection of these sources remains challenging. This work presents a novel and simple design for an isochronous magnetic selector capable of angular and energy selection of proton sources, significantly reducing temporal spread compared to the current state of the art. The isochronous selector separates the beam based on ion energy, making it a potential component in new energy spectrum sensors for ions. Analytical estimations and Monte Carlo simulations validate the proposed configuration. Due to its low temporal spread, this selector is also useful for studying extreme states of matter, such as proton stopping power in warm dense matter, where short plasma stagnation time (<100 ps) is a critical factor. The proposed selector can also be employed at higher proton energies, achieving final time spreads of a few picoseconds. This has important implications for sensing technologies in the study of coherent energy deposition in biology and medical physics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Experiments and Simulations of the Dusty Properties of Hypervelocity Impact Plasmas

Hypervelocity impacts, referring to impacts occurring at several times the speed of sound in the target, result in inertial stresses greatly exceeding the material strength and produce behavior that is not fully understood. These impact phenomena are seen in space through impacts of orbital debris and meteoroids on spacecraft and airless natural bodies but can also be produced in laboratory environments using light-gas guns and electrostatic dust accelerators. When a hypervelocity impact occurs, plasma is generated both from thermal ionization and from pressure ionization, producing a wide range of plasma densities depending on the impactor’s velocity. This plasma is initially formed in the warm dense matter (WDM) regime and governed by high energy density (HED) hydrodynamics before it rapidly expands and dissipates, spanning many orders of magnitude in density and length scale. The plasma can also contain a dust component, which is particularly relevant for the lower-velocity range of hypervelocity impacts with parameters that are particularly relevant to Tokamak plasmas. Therefore, the properties and dynamics of these plasmas cannot be fully characterized without considering dusty plasma effects, which are ubiquitous but poorly understood.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Measurement of turbulent velocity and bounds for thermal diffusivity in laser shock compressed foams by x-ray photon correlation spectroscopy

Experimental benchmarking of transport coefficients under extreme conditions is required for validation of differing theoretical models. To date, measurement of transport properties of dynamically compressed samples remains a challenge with only a limited number of studies able to quantify transport in high pressure and temperature matter. x-ray photon correlation spectroscopy utilizes coherent x-ray sources to measure time correlations of density fluctuations, thus providing measurements of length and timescale-dependent transport properties. Here, we present a first-of-a-kind experiment to conduct x-ray photon correlation spectroscopy in laser shock compression experiments. We report measurement of the turbulent velocity in the wake of a laser driven supersonic shock and place an upper bound on thermal diffusivity in a solid density plasma on nanosecond timescales.

High-energy-density plasmas↗