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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Room temperature sodium diffusion in sodium iron phosphate investigated with neutron scattering

Sodium iron phosphate, Na x FePO 4 , is currently one of the most promising cathode materials for sodium ion batteries. Here we employ a systematic approach using three neutron scattering techniques to investigate temperature dependent properties with a focus on the charge transfer processes. Two distinct Na + diffusive motions are observed with quasielastic neutron scattering, including room temperature motion. These processes correspond to rapid double jumps through extrinsic vacancy sites of ∼6 Å along with the more fundamental nearest neighbor jumps of 3.1 Å. Experimental observations of room temperature ionic diffusion are highly desirable, as the diffusion pathways are naturally well suited for efficient transport. Inelastic neutron scattering was used to probe the vibrational density of states that assist in the ionic and electronic (polaronic) transport processes, which are further supported with density functional theory. Neutron diffraction examines the disordering of the sodium sublattice upon transition to the solid-solution phase, which is believed to enhance the overall kinetics during sodium insertion/extraction. Finally, 57 Fe Mössbauer spectroscopy measurements probes polaron hopping and the local structural evolution that modifies the electron density surrounding the redox active iron sites. This study sheds light on the temperature induced atomic scale dynamics that occur in olivine Na x FePO 4 .

Novak, Eric [Swarthmore College, Swarthmore, PA (U↗
NASA NTRS1994

A Note on the Wave Action Density of a Viscous Instability Mode on a Laminar Free-shear Flow

Using the assumptions of an incompressible and viscous flow at large Reynolds number, we derive the evolution equation for the wave action density of an instability wave traveling on top of a laminar free-shear flow. The instability is considered to be viscous; the purpose of the present work is to include the cumulative effect of the (locally) small viscous correction to the wave, over length and time scales on which the underlying base flow appears inhomogeneous owing to its viscous diffusion. As such, we generalize our previous work for inviscid waves. This generalization appears as an additional (but usually non-negligible) term in the equation for the wave action. The basic structure of the equation remains unaltered.

Balsa, Thomas F.↗
DOE OSTI2025

Close-up view of the interplay between lattice distortions and charge density waves: Case study on rare-earth nickel carbides

Using variable temperature total x-ray scattering and large-scale structure modeling, we study the temperature and composition evolution of lattice distortions and charge density waves (CDWs) in the archetypal strongly correlated system RENi⁢ C 2 (RE=Dy, Tb, Gd, and Sm). Joint analysis of reciprocal and real space data reveals the presence of strong lattice distortions that, depending on the RE species and temperature, appear periodic or remain local, forming a complex CDW phase diagram. Apparently, the CDWs in RENi⁢ C 2 materials arise from a common to the system lattice instability involving diverse distortion modes that persist when magnetic order also sets in at very low temperature. In conclusion, the results support the notion that intrinsic lattice distortions are important to the emergence of exotic electronic phases in strongly correlated systems and call for their further investigation using the advanced approach adopted here.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Direct estimation of the density of states for fermionic systems

Simulating time evolution is one of the most natural applications of quantum computers and is thus one of the most promising prospects for achieving practical quantum advantage. Here, we develop quantum algorithms to extract thermodynamic properties by estimating the density of states (DOS), which is a central object in quantum statistical mechanics. We introduce several key innovations that significantly improve the practicality and extend the generality of previous techniques. First, our approach allows one to estimate the DOS only for a specific subspace of the full Hilbert space. This is crucial for fermionic systems, since both canonical and grand canonical ensemble thermal equilibrium properties depend on subspaces of fixed number. Second, in our approach, by time evolving very simple, random initial states, such as randomly chosen computational basis states, we can exactly recover the DOS on average. Third, due to circuit-depth limitations, we only reconstruct the DOS up to a convolution with a Gaussian window—thus all imperfections that shift the energy levels by less than the width of the convolution window will not significantly affect the estimated DOS. For these reasons, we find the approach is a promising candidate for early quantum advantage as even short-time, noisy dynamics can yield a semiquantitative reconstruction of the DOS (convolution with a broad Gaussian window), while early fault-tolerant devices will likely enable higher-resolution DOS reconstruction through longer time evolutions. We demonstrate the practicality of our approach in representative Fermi-Hubbard and spin models and indeed find that our approach is highly robust against algorithmic errors in the time evolution and against gate noise. We further demonstrate that our approach is compatible with noisy intermediate-scale quantum (NISQ) computing NISQ-friendly variational techniques, introducing and leveraging a technique for variational time evolution.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Vortex paradigm for shock-accelerated density-stratified interfaces

Numerical simulations are reported that capture the observations of Haas and Sturtevant (1985) when a planar shock accelerates an inclined planar interface between two media. A vortex paradigm is presented for interpreting the evolution of shock-accelerated density-stratified interfaces beyond early times. The simulations illustrate the paradigm and are in good agreement with the results of Haas and Sturtevant. Color images of space-time diagrams of the one-space integrated vorticity function are given to show the primary and secondary features of the emerging vortex structures.

Hawley, John F.↗
NASA NTRS1990

Small-scale plasma, magnetic, and neutral density fluctuations in the nightside Venus atmosphere

The evolution of the Venus small-scale waves as they propagate into the nightsite is examined, and the small-scale structures are compared with the waves in the three components of the magnetic field, magnetic dip angle, and neutral density. It is demonstrated that the small-scale fluctuations evolve between the transterminator and antisolar regions. It is shown that atmospheric gravity waves may also be producing some of the fluctuations observed at longer wavelengths. The electron temperature and density are shown to be approximately 180 deg out of phase and exhibiting the highest correlation of any pair of variables. Waves in the electron and neutral densities are found to be correlated moderately on most orbits, while the average electron temperature is higher when the average magnetic field is more horizontal.

Hoegy, W. R.↗
NASA NTRS1994

Cluster evolution and microwave source counts

We present the modeled counts for the expected Sunyaev-Zel'dovich microwave sources associated with clusters of galaxies, predicted for experiments with arcminute-scale spatial resolution, assuming self-similar cluster evolution, for different spectra of the primordial density fluctuations and values of the cosmological density parameter Omega. Our simulations show that the source counts should be a powerful test of the evolution of very high redshift clusters. Experiments with 1 - 2 min spatial resolution, with moderate sensitivity but covering a large area of the sky, would be most effective for studying the SZ source population. Recent arcminute-scale radio experiments, the Owens Valley Radio Observatory (OVRO) RING experiment and VLA deep imaging, achieved sensitivity and sky coverage close to that needed for the detection of negative sources associated with very distant clusters. From the absence of cluster detections in these experiments, we rule out, with 90% confidence, models with Omega less than 0.3 and n = +1 as predicting too many bright sources; or there is no hot gas in clusters more distant than z(sub max) = 5 in such models. If the single negative source detected in the RING experiment is a distant cluster, the Omega = 1, n = -2 model also may be ruled out as it predicts too few sources. The new generation of telescopes, including the new SUZIE and Ryle instruments, will soon be able to detect distant clusters. The cluster population in the past has been modeled by scaling the observed present-day sample of X-ray clusters back to high redshifts, an approach which makes the best use of the observed cluster gas parameters, and makes the simulations robust to the assumed evolution at very early epochs. Although the pure self-similar model may be incompatible with the variety of observed evolutionary effects, we show that reasonable modifications to the intracluster gas history in that model, proposed to reconcile the self-similar evolution of cluster mass and the observed evolution of their X-ray luminosity, do not considerably change our microwave predictions made using the pure self-similar model. That is, the results of our simulations are applicable to the wide class of evolutionary models in which the cluster gas mass times gas temperature evolves as the dark mass times cluster virial temperature.

Markevitch, M.↗
DOE OSTI2025

Minimizing Inter‐Lattice Strain to Stabilize Li‐Rich Cathode by Order–Disorder Control

Li-rich Mn-based layered (LMR) cathodes with anionic redox chemistry show great potential for next-generation sustainable Li-ion battery (LIB) applications due to the low cost and high energy density. However, the asynchronous structural evolutions with cycling in the heterogeneous composite structure of LMR lead to serious lattice strain and thus fast electrochemical decay, which hinders the commercialization of LMR cathodes. Here, in this study, an order–disorder coherent LMR cathode is demonstrated that exhibits a higher average voltage (by 0.25 V), negligible voltage decay (97.6% voltage retention after 100 cycles at 100 mA g −1 ), and enhanced cycling stability (98% capacity retention after 200 cycles at 100 mA g −1 ) compared to its layered oxide counterparts. It is proposed that this order–disorder coherent structure design can promote a more synchronous and homogeneous structure evolution during charge and discharge, thus minimizing lattice strain, which significantly prevents layer collapse and collective degradation at high voltage, improving the electrochemical stability. The study displays the feasibility of optimizing the performance of Li-rich cathode materials through a dedicated order–disorder structure control for sustainable energy storage.

Xu, Shenyang [Peking University, Shenzhen (China)]↗
DOE OSTI2025

Continuum laser absorption spectroscopy of C 2 (a 3 Π u ) in a sublimating cloud of carbon black

A direct optical absorption diagnostic has been developed for rotationally resolved measurements of diatomic carbon (a 3 Π u →d 3 Π g (0,0) and (1,1)) at a repetition rate of 525 kHz and resolution of 7.3 pm over the range of 511.1–514.1 nm. The diagnostic utilizes a high-power pulsed continuum laser light source dispersed in a spectrograph and imaged by a high-speed camera. Measurements have been performed that capture the temporal evolution of C 2 number density and temperature of a cloud of carbon black sublimating in shock heated gas at high temperature and pressure (T = 5500 K, P = 3.7 atm). A simultaneous light absorption measurement of the condensed phase enables comparisons of the gaseous C 2 number density to the condensed phase mass. The continuum laser absorption diagnostic is applied to C 2 in this work but shows promise in being a simple “drop-in” system for absorption spectroscopy in the visible range at rapid repetition rates and high dispersion, filling an important gap for laser diagnostic systems.

Willhardt, Colton Dean [Univ. of Illinois at Urban↗
DOE OSTI2024

Revisiting the electrochemical reduction of CO 2 on Au 25 (SR)$\overline{_{18}}$ nanocluster

Experiments show that Au25(SR)$\overline{_{18}}$ is a potential electrocatalyst for the electrochemical reduction of CO 2 , but elucidation of the reaction mechanisms remain challenging experimentally. We evaluate key steps in the active site formation, CO 2 reduction, and H 2 evolution on the nanocluster employing density functional theory coupled with an explicit solvent model of the electrochemical interface to calculate activation barriers. The predicted preferred pathway for activating the nanocluster involves dethiolation, resulting in an exposed Au site that is both active and selective for CO 2 reduction. Finally, the alternative S site is found to be kinetically prohibitive and does not facilitate CO 2 reduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Pseudorapidity distributions of charged hadrons in lead-lead collisions at $\sqrt{S_{NN}}$ = 5.36 TeV

The pseudorapidity (η) distributions of charged hadrons are measured using data collected at the highest ever nucleon-nucleon center-of-mass energy of $\sqrt{S_{NN}}$ = 5.36 TeV for collisions of lead-lead ions. The data were recorded by the CMS experiment at the LHC in 2022 and correspond to an integrated luminosity of 0.30 ± 0.03 μb -1 . Using the CMS silicon pixel detector, the yields of primary charged hadrons produced in the range |η| < 2.6 are reported. The evolution of the midrapidity particle density as a function of collision centrality is also reported. In the 5% most central collisions, the charged-hadron η density in the range |η| < 0.5 is found to be 2032 ± 91(syst), with negligible statistical uncertainty. This result is consistent with an extrapolation from nucleus-nucleus collision data at lower center-of-mass energies. Comparisons are made to various Monte Carlo event generators and to previous measurements of lead-lead and xenon-xenon collisions at similar collision energies. These new data detail the dependence of particle production on the collision energy, initial collision geometry, and the size of the colliding nuclei.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Characterizing Electrode Materials and Interfaces in Solid-State Batteries

Solid-state batteries (SSBs) could offer improved energy density and safety, but the evolution and degradation of electrode materials and interfaces within SSBs are distinct from conventional batteries with liquid electrolytes and represent a barrier to performance improvement. Over the past decade, a variety of imaging, scattering, and spectroscopic characterization methods has been developed or used for characterizing the unique aspects of materials in SSBs. These characterization efforts have yielded new understanding of the behavior of lithium metal anodes, alloy anodes, composite cathodes, and the interfaces of these various electrode materials with solid-state electrolytes (SSEs). This review provides a comprehensive overview of the characterization methods and strategies applied to SSBs, and it presents the mechanistic understanding of SSB materials and interfaces that has been derived from these methods. This knowledge has been critical for advancing SSB technology and will continue to guide the engineering of materials and interfaces toward practical performance.

25 ENERGY STORAGE↗
DOE OSTI2025

Analysis of streaked images of x-ray self-emission in laser-driven spherical implosions

Imaging of x-ray self-emission provides a powerful in situ measurement of the spatial and temporal evolution of high-energy-density plasmas. However, interpretation of these measurements requires detailed understanding of the data-generating process. This work presents a case study in the interpretation of x-ray self-emission data for the specific application of streaked one-dimensional slit imaging of spherical laser-driven implosions. A comprehensive generative model of the streaked slit-imaging diagnostic is developed including detailed treatments of the radiation transfer, photometrics, and photostatistics associated with the measurement. The model is used to generate realistic synthetic streaked images and to analyze experimental streaked images to extract important physical quantities of interest. An example analysis of streaked images from implosion experiments on the OMEGA laser is presented, where the model developed in this work is used to constrain the trajectory and peak velocity of the implosion using Bayesian inference.

Bayesian inference↗
DOE OSTI2024

Simulations of classical three-body thermalization in one dimension

One-dimensional systems, such as nanowires or electrons moving along strong magnetic field lines, have peculiar thermalization physics. The binary collision of pointlike particles, typically the dominant process for reaching thermal equilibrium in higher-dimensional systems, cannot thermalize a 1D system. We study how dilute classical 1D gases thermalize through three-body collisions. We consider a system of identical classical point particles with pairwise repulsive inverse power-law potential V ij ∝ 1/|x i –x j | n or the pairwise Lennard-Jones potential. Using Monte Carlo methods, we compute a collision kernel and use it in the Boltzmann equation to evolve a perturbed thermal state with temperature T toward equilibrium. We explain the shape of the kernel and its dependence on the system parameters. Additionally, we implement molecular dynamics simulations of a many-body gas and show agreement with the Boltzmann evolution in the low-density limit. For the inverse power-law potential, the rate of thermalization is proportional to ρ 2 ⁢T$\frac{1}{2}$ – $\frac{1}{n}$, where ρ is the number density. Furthermore, the corresponding proportionality constant decreases with increasing n.

1-dimensional systems↗
DOE OSTI2025

Novel scalings of neutron star properties from analyzing dimensionless Tolman–Oppenheimer–Volkoff equations

The Tolman–Oppenheimer–Volkoff (TOV) equations govern the radial evolution of pressure and energy density in static neutron stars (NSs) in hydrodynamical equilibrium. Using the reduced pressure and energy density with respect to the NS central energy density, the original TOV equations can be recast into dimensionless forms. While the traditionally used integral approach for solving the original TOV equations require an input nuclear Equation of State (EOS), the dimensionless TOV equations can be anatomized by using the reduced pressure and energy density as polynomials of the reduced radial coordinate without using any input nuclear EOS. It has been shown in several of our recent works that interesting and novel perspectives about NS core EOS can be extracted directly from NS observables by using the latter approach. Our approach is based on intrinsic and perturbative analyses of the dimensionless (IPAD) TOV equations (IPAD-TOV). In this review article, we first discuss the length and energy density scales of NSs as well as the dimensionless TOV equations for scaled variables and their perturbative solutions near NS cores. We then review several new insights into NS physics gained from solving perturbatively the scaled TOV equations. Whenever appropriate, comparisons with the traditional approach from solving the original TOV equations will be made. In particular, we first show that the nonlinearity of the TOV equations basically excludes a linear EOS for dense matter in NS cores. We then show that perturbative analyses of the scaled TOV equations enable us to reveal novel scalings of the NS mass, radius and the compactness with certain combinations of the NS central pressure and energy density. Thus, observational data on either mass, radius or compactness can be used to constrain directly the core EOS of NS matter independent of the still very uncertain nuclear EOS models. As examples, the EOS of the densest visible matter in our Universe before the most massive neutron stars collapse into black holes (BHs) as well as the central EOS of a canonical or a 2.1 solar mass NS are extracted without using any nuclear EOS model. In addition, we show that causality in NSs sets an upper bound of about 0.374 for the ratio of pressure over energy density and correspondingly a lower limit for trace anomaly in supra-dense matter. We also demonstrate that the strong-field gravity plays a fundamental role in extruding a peak in the density/radius profile of the speed of sound squared (SSS) in massive NS cores independent of the nuclear EOS. Finally, some future perspectives of NS research using the new approach reviewed here by solving perturbatively the dimensionless TOV equations are outlined.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1972

Quantum-mechanical transport equation for atomic systems.

A quantum-mechanical transport equation (QMTE) is derived which should be applicable to a wide range of problems involving the interaction of radiation with atoms or molecules which are also subject to collisions with perturber atoms. The equation follows the time evolution of the macroscopic atomic density matrix elements of atoms located at classical position R and moving with classical velocity v. It is quantum mechanical in the sense that all collision kernels or rates which appear have been obtained from a quantum-mechanical theory and, as such, properly take into account the energy-level variations and velocity changes of the active (emitting or absorbing) atom produced in collisions with perturber atoms. The present formulation is better suited to problems involving high-intensity external fields, such as those encountered in laser physics.

Berman, P. R.↗
NASA NTRS1976

Solar cycle evolution of high-speed solar wind streams

Large amplitude high-speed solar wind streams and streams with maximum speeds in excess of 700 km/sec are far more common in years of declining and minimum solar activity than near solar maximum. Further, the broadest solar wind streams observed directly with space probes during the years 1962-1974 occurred near solar minimum in 1974. Changes in the frequency and nature of solar wind stream structures at the orbit of earth appear to be directly related to the long-term evolution of regions of low density in the solar corona.

Bame, S. J.↗