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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Generalizing Similarity Laws for Radio-Frequency Discharge Plasmas across Nonlinear Transition Regimes

We generalize similarity theory based on the scaling and solution invariance of the Boltzmann equation, coupled with the Poisson equation, and demonstrate similarity laws for radio-frequency (rf) discharge plasmas across three nonlinear transitional regimes, namely, the alpha-gamma mode transition, the stochastic-Ohmic-heating mode transition, and the bounce-resonance-heating mode transition. Fundamental plasma parameters, e.g., the electron power absorption, under similar discharge conditions are examined via fully kinetic particle-in-cell simulations, and electron-kinetic invariance is exemplified in similar rf discharge plasmas. The results unambiguously confirm the applicability of similarity laws for rf plasmas in extended operating regimes, and strengthen the foundations and framework of similarity physics with universality.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Magnetism and magnetotransport in the kagome antiferromagnet Mn 3 Ge

We perform classical Monte Carlo and stochastic Landau-Lifshitz-Gilbert simulations to study the temperature-dependent magnetism of the kagome antiferromagnet Weyl metal Mn3Ge, and we find that a long-range chiral order sets in at a transition temperature well below the Neel temperature (T N ). Based on the crystalline symmetries imposed by the chiral magnetic order, we argue for the presence of multiple isoenergetic Weyl nodes (nodes that are at the same energy and with a congruent Fermi surface around them) near the chemical potential. Using the semiclassical Boltzmann equations, we show that the combined contribution to the net longitudinal magnetoconductance (LMC) and the planar Hall conductance (PHC) from tilted Weyl nodes can lead to signatures that are qualitatively distinct from that of a single pair of Weyl nodes. In particular, we show that magnetic orders with different chiralities can give rise to different periods in LMC and PHC as a function of the in-plane magnetic field direction. As a result, this is ultimately related to differences in the symmetry-imposed constraints on the Weyl nodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Anomalous Hall effect in conical helimagnetic crystals

Spin-spiral texture can substantially change charge transport properties in helimagnets. Here we find the anomalous Hall effect (AHE) exhibiting the dramatic behavior with respect to chemical potential μ in conical magnetic structures. The direct conductivity demonstrates kinks, and the anomalous Hall current exhibits minima and maxima changing the sign. We analytically derive the expression for energy bands and eigenstates in the most general case. Because of the conical potential, the energy bands are split into two nonparabolic bands where the lower band can have one- or two-minima shapes in the k z direction ($\hat{z}$ is a direction of the spiral axis). We prove that the origin of the anomalous Hall effect is not topological and is due to the interplay between the asymmetry of energy bands in the x and z directions and spin restrictions in the phase space due to the conical potential. We also investigate the dependence of transport properties on cone half- angle θ, and find that the effects are most pronounced at θ=π/2 (a helical state). Electric current is calculated using the Boltzmann equation where the relaxation is caused by electron-acoustic phonon interaction. The transition probability is found to be a 2×2 matrix with nonvanishing off-diagonal elements indicating the strong interband transitions. The origin of interband transitions is because of the nature of the conical potential where conduction electron spins interact with localized magnetic moments. To verify the proposed theory, we calculate the temperature dependence of resistivity for MnSi crystals and find the discontinuity at the phase transition between conical and paramagnetic phases. The calculations are in the excellent agreement with the experimental data. In addition, we predict the discontinuity behavior for the anomalous Hall resistivity at the phase transition where the resistivity exhibits the abrupt change at T=T C , (a) to zero if the relativistic effects for the conduction electrons are small or (b) to a nonzero value if Rashba/Dresselhaus effects are taken into account.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Prehydrodynamic evolution and its impact on quark-gluon plasma signatures

State-of-the-art hydrodynamic models of heavy-ion collisions have considerable theoretical model uncertainties in the description of the very early prehydrodynamic stage. Here we add a new computational module, K T Iso, that describes the prehydrodynamic evolution kinetically, based on the relativistic Boltzmann equation with collisions treated in the isotropization time approximation. As a novelty, K T Iso allows for the inclusion and evolution of initial-state momentum anisotropies. To maintain computational efficiency K T Iso assumes strict longitudinal boost invariance and allows collisions to isotropize only the transverse momenta. We use it to explore the sensitivity of hadronic observables measured in relativistic heavy-ion collisions to initial-state momentum anisotropies and microscopic scattering during the prehydrodynamic stage.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Fast neutrino flavor conversion modes in multidimensional core-collapse supernova models: The role of the asymmetric neutrino distributions

A dense neutrino gas, such as the one anticipated in the supernova environment, can experience fast neutrino flavor conversions on scales much shorter than those expected in vacuum probably provided that the angular distributions of ν e and $\bar{v}_e$ cross each other. We perform a detailed investigation of the neutrino angular distributions obtained by solving the Boltzmann equations for fixed matter profiles of some representative snapshots during the postbounce phase of core-collapse supernovae in multidimensional calculations of a 11.2 M ⊙ and a 27 M ⊙ progenitor model. Although the 11.2 M ⊙ model features ν e - $\bar{v}_e$ angular crossings and the associated fast modes at different time snapshots, the 27 M ⊙ model does not show any crossings within the decoupling region. We show that this can be understood by studying the multipole components of the neutrino distributions. In fact, there is a higher chance for the occurrence of ν e - $\bar{v}_e$ angular crossings for the zones where the multipole components of the neutrino distributions are strong enough. We also show that there can exist more than one crossing between the angular distributions of ν e and $\bar{v}_e$. In addition, apart from the crossings within the neutrino decoupling region, there is a class of ν e - $\bar{v}_e$ angular crossings that appears very deep inside the protoneutron star.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Perturbative approaches in relativistic kinetic theory and the emergence of first-order hydrodynamics

Hydrodynamics can be formulated in terms of a perturbative series in derivatives of the temperature, chemical potential, and flow velocity around an equilibrium state. Different formulations for this series have been proposed over the years, which consequently led to the development of various hydrodynamic theories. In this work, we discuss the relativistic generalizations of the perturbative expansions put forward by Chapman and Enskog, and Hilbert, using general matching conditions in kinetic theory. This allows us to describe, in a comprehensive way, how different out-of-equilibrium definitions for the hydrodynamic fields affect the development of the hydrodynamic perturbative series. We provide a perturbative method for systematically deriving the hydrodynamic formulation recently proposed by Bemfica, Disconzi, Noronha, and Kovtun (BDNK) from relativistic kinetic theory. The various transport coefficients that appear in BDNK (at first-order) are explicitly computed using a new formulation of the relaxation time approximation for the Boltzmann equation. Assuming Bjorken flow, we also determine the hydrodynamic attractors of BDNK theory and compare the overall hydrodynamic evolution obtained using this formulation with that generated by the Israel-Stewart equations of motion and also kinetic theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Modeling stochastic fluctuations in relativistic kinetic theory

Using the information current, we develop a Lorentz-covariant framework for modeling equilibrium fluctuations in relativistic kinetic theory in the grand-canonical ensemble. The resulting stochastic theory is proven to be causal and covariantly stable, and its predictions do not depend on the choice of spacetime foliation used to define the grand-canonical probabilities. As expected, in a box containing N > 5 particles, Boltzmann’s molecular chaos postulate is broken with (almost exact) probability N -1/2 , leading to a breakdown of the Boltzmann equation in small systems. Here, we also verify that, in ultrarelativistic gases, transient hydrodynamics already accounts for at least 80% of the equilibrium fluctuations of the stress-energy tensor at a given time. Finally, we compute the correlators at nonequal times for two selected collision kernels: that of a chemically active diluted solution, and that of ultrarelativistic scalar particles self-interacting via a quartic potential. For the former, we compute the density-density correlators analytically in real space, and dehydrodynamization of the stochastic theory is proven to occur whenever the mean free path diverges at high energy.

Astronomy & Astrophysics↗
DOE OSTI2024

QCD axion: Some like it hot

We compare the quantum chromodynamics (QCD) axion phase-space distribution from unitarized next-to-leading order chiral perturbation theory with the one extracted from pion-scattering data. We derive a robust bound by confronting momentum-dependent Boltzmann equations against up-to-date observations of the cosmic microwave background, of the baryonic acoustic oscillations and of primordial abundances. These datasets imply 𝑚 𝑎 ≤ 0.16 eV for the 95% credible interval, i.e., ∼ 30% stronger bound than what previously found. We present forecasts using dedicated likelihoods for future cosmological surveys and the sphaleron rate from unquenched lattice QCD.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Dark sink enhances the direct detection of freeze-in dark matter

We describe a simple dark sector structure which, if present, has implications for the direct detection of dark matter (DM); the dark sink. A dark sink transports energy density from the DM into light dark-sector states that do not appreciably contribute to the DM density. As an example, we consider a light, neutral fermion ψ which interacts solely with DM Χ via the exchange of a heavy scalar Φ. We illustrate the impact of a dark sink by adding one to a DM freeze-in model in which Χ couples to a light dark photon γ' which kinetically mixes with the Standard Model (SM) photon. This freeze-in model (absent the sink) is itself a benchmark for ongoing experiments. In some cases, the literature for this benchmark has contained errors; we correct the predictions and provide them as a public code. We then analyze how the dark sink modifies this benchmark, solving coupled Boltzmann equations for the dark-sector energy density and DM yield. We check the contribution of the dark sink ψ’s to dark radiation; consistency with existing data limits the maximum attainable cross section. For DM with a mass between MeV –Ο⁡(10 GeV), adding the dark sink can increase predictions for the direct detection cross section all the way up to the current limits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Numerical investigation of nonequilibrium electron effects on the collisional ionization rate in the collisional-radiative model

In this study, the interplay of kinetic electron physics and atomic processes in ultrashort laser-plasma interactions provides a comprehensive understanding of the impact of the electron energy distribution on plasma properties. Notably, nonequilibrium electrons play a vital role in collisional ionization, influencing ionization degrees and spectra. This paper introduces a computational model that integrates the physics of kinetic electrons and atomic processes, utilizing a Boltzmann equation for nonequilibrium electrons and a collisional-radiative model for atomic state populations. The model is used to investigate the influence of nonequilibrium electrons on collisional ionization rates and its effect on the population distribution, as observed in a widely known experiment. The study reveals a significant nonequilibrium electron presence during XFEL-matter interactions, profoundly affecting collisional ionization rates in the gas plasma, thereby necessitating careful consideration of the Collisional-Radiative model applied to such systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Spin Alignment of Vector Mesons in Heavy-Ion Collisions

Polarized quarks and antiquarks in high-energy heavy-ion collisions can lead to the spin alignment of vector mesons formed by quark coalescence. Here, using the relativistic spin Boltzmann equation for vector mesons derived from Kadanoff-Baym equations with an effective quark-meson model for strong interaction and quark coalescence model for hadronizaton, we calculate the spin density matrix element $ρ_{00}$ for Φ mesons and show that anisotropies of local field correlations with respect to the spin quantization direction lead to Φ meson's spin alignment. We propose that the local correlation or fluctuation of Φ fields is the dominant mechanism for the observed Φ meson's spin alignment and its strength can be extracted from experimental data as functions of collision energies. The calculated transverse momentum dependence of $ρ_{00}$ agrees with STAR's data. We further predict the azimuthal angle dependence of $ρ_{00}$ which can be tested in future experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Cold freeze out of superheavy dark matter and Hubble tension

We present a unified framework, the "X miracle", in which dark matter consists of superheavy, nonthermal X particles whose relic abundance is determined not by the conventional weak-scale, semi-relativistic ("hot") freeze-out of WIMPs, but by annihilation or decay occurring within the smallest and earliest gravitationally bound objects. Unlike thermal WIMPs, which decouple at velocities of order 0.3c with relic abundance ρ∞ set by weak-scale interactions, X particles are produced nonthermally with an initial overabun dance ρ ini >> ρ ∞ . They become nonrelativistic extremely early, redshift to ultra-cold velocities, allowing collapse into compact bound structures characterized by a novel quantum gravitational scale, r X = 4$\hbar$ 2 $/Gm^3_X$ = 10 −13 m $\hbar$$/m_Xc$, much larger than the Compton wavelength. The framework predicts a particle mass of 10 12 GeV and an enhanced cross section of 10 −21 m 3 /s. Overlapping particle wavefunctions in these compact structures drive annihilation or decay into additional radiation, leading to a "cold" freeze-out that converts most of ρ ini into radiation while leaving a relic density ρ ∞ . Solutions to the Boltzmann equation indicate that an extreme ("big") depletion, with only one particle in a billion surviving, yields an additional radiation contribution $ΔN_{eff}$ ≈ 0.4, which could help alleviate the Hubble tension. For particles of 10 12 GeV, the scenario predicts a dark coupling constant α X = 0.09 that is responsible for an instanton-induced decay process, consistent with current UHECR bounds. Early collapse at 10 −6 s may release binding energy as high-frequency (100kHz) gravitational waves or ultralight GUT-scale axions (10 −9 eV). Superheavy sterile neutrinos provide a natural particle realization, linking dark matter to neutrino mass and baryogenesis. If gravitationally produced, this framework favors high-scale inflation and effi cient reheating. The "X miracle" thus demonstrates that dark matter need not be weak-scale: gravitational dynamics can control freeze-out and evolution, producing multi-messenger observational signatures in UHECRs, axions, gravitational waves, and small-scale structures.

Xu, Zhijie Jay [Pacific Northwest National Laborat↗
DOE OSTI2023

Modeling the Environment-Dependent Kinetics of Oxygen Reduction Reaction – a Continuum Model for Electric Double Layer

Here, for proton-exchange-membrane fuel cells (PEMFCs) to achieve broad commercialization, improved energy-conversion efficiency with minimal Pt-based electrocatalyst is required. Because the sluggish rate of oxygen reduction reaction (ORR) limits the efficiency of PEMFCs, the efficiency improvement requires a better understanding of ORR kinetics and mechanism to design better catalyst. To understand the ORR mechanism, theoretical and experimental analyses have been conducted. While previous studies reasonably explained the catalyst-dependent activity on single crystal catalysts in 0.1 M perchloric acid solution, the explicit effect of electrolyte and related microenvironments is not thoroughly understood. The change in the electrolyte alters the electric-double-layer (EDL) structure and thus the local microenvironment at the electrode/electrolyte interface. Thus, the structure of the EDL should be carefully analyzed to uncover the electrolyte-dependent reaction kinetics. In this talk, we propose a multiscale continuum model to predict the EDL structure and examine the effect of perchloric acid concentration on ORR activity on Pt (111). The model includes Density Potential Functional Theory (DPFT) for electron density and Modified Poisson Boltzmann equation for species’ density and electric potential. Also, the interaction between adsorbents and electric field is taken into account by minimizing the grand potential. After model validation with experimentally measured double-layer capacity data as a function of applied potential and concentration, the effect of the perchloric acid concentration (0.02 M – 0.2 M) on ORR activity is analyzed and discussed. It is shown that the model reproduces the specific activity obtained in the experiments when assuming the oxygen adsorption is limiting the rate, which can be attributed to the large energetic barrier for solvent reorganization. Then, extension of the model to PEMFC ionomer electrolytes will be introduced. Overall, the model framework and findings provide insights into the ORR mechanism and guidance on how to tailor catalyst materials for increased PEMFC performance.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Kinetic effects of self-organization in low-temperature magnetized plasmas (Final Report for DE-SC0019045: 9/1/2018-8/31/2019)

The research goal of this Early Career Research Program project is to advance the science of low temperature magnetized plasmas using first-principles kinetic, e.g., solving the Boltzmann equation, models. A better understanding of the plasma transport properties, such as electrical resistivity and thermal conductivity must be obtained to better control and design magnetized plasma sources. A key physical phenomenon in low-temperature magnetized plasmas is the self-organization of plasma flows, e.g., coherent plasma structures and transition between different discharge modes. Understanding the physics of coherent plasma structures has been identified as one of the four important frontier topics in a recent workshop by the Office of Fusion Energy Science. These self-emerging plasma patterns results from the nonlinear coupling between plasma constituents (ions, electrons, and neutral atoms), electromagnetic fields, and materials. The physics of low-temperature magnetized plasmas is particularly complex because (i) the collisionless instabilities affect collisional phenomena (ionization, transport, etc.) and vice versa and (ii) the presence of materials (sheath, electron injection, etc.) influences the bulk plasma properties in low-temperature plasma (LTP) devices. Computational models of these plasma flows remain challenging because the plasma density can vary several orders of magnitudes, a wide range of temporal and spatial scales must be resolved, the phenomena are inherently three-dimensional, and various physical processes, such as wall interaction, instabilities, inelastic collisions, etc., must be simultaneously and self-consistently taken into account. Understanding the fundamental transport mechanisms in cross-field configurations enables additional controllability of plasma properties and electron energy distribution functions (EEDFs).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Partially Ionized Plasma Physics and Technological Applications

Partially ionized plasma physics has attracted increased attention recently due to numerous technological applications made possible by the increased sophistication of computer modelling, the depth of the theoretical analysis, and the technological applications to a vast field of manufacturing for computer components. Partially ionized plasma is characterized by a significant presence of neutral particles in contrast to the fully ionized plasma. The theoretical analysis is based upon solutions of the kinetic Boltzmann equation, yielding the non-Maxwellian electron energy distribution function (EEDF), thereby emphasizing the difference with a fully ionized plasma. The impact of the effect on discharges in inert and molecular gases is described in detail, yielding the complex nonlinear phenomena resulting in plasma selforganization. A few examples of such phenomena are given, including the non-monotonic EEDFs in the discharge afterglow in a mixture of argon with the molecular gas NF3; the explosive generation of cold electron populations in capacitive discharges, hysteresis of EEDF in inductively coupled plasmas. Recently, highly advanced computer codes were developed in order to address the outstanding challenges in plasma technology. These developments are briefly described in general terms.

non-Maxwellian electron energy distribution functi↗
DOE OSTI2024

On a Spectral Method for β -particle Bound Excitation Collisions in Kilonovae

The interaction of β-particles with the weakly ionized plasma background is an important mechanism for powering the kilonova (KN) transient signal from neutron star mergers. For this purpose, we present an implementation of the approximate fast-particle collision kernel, described by Inokuti following the seminal formulation of Bethe, in a spectral solver of the Vlasov–Maxwell–Boltzmann equation. In particular, we expand the fast-particle plane-wave atomic excitation kernel into coefficients of the Hermite basis, and derive the relevant discrete spectral system. In this fast-particle limit, the approach permits the direct use of atomic data, including optical oscillator strengths, normally applied to photon–matter interaction. The resulting spectral matrix is implemented in the MASS-APP spectral solver framework, in a way that avoids full matrix storage per spatial zone. We numerically verify aspects of the matrix construction, and present a proof-of-principle 3D simulation of a 2D axisymmetric KN ejecta snapshot. Our preliminary numerical results indicate that a reasonable choice of Hermite basis parameters for β-particles in the KN is a bulk velocity parameter u = 0, a thermal velocity parameter α = 0.5c, and a 9 × 9 × 9 mode velocity basis set (Hermite orders of 0–8 in each dimension). For interior-ejecta sample zones, we estimate that the ratio of thermalization from large-angle (≳2fdg5) bound excitation scattering to total thermalization is ~0.002–0.003.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Predictions for a Low-mass Cutoff for the Primordial Black Hole Mass Spectrum

In this note, we outline how a modest violation in the conservation of mass during the merger of two PBHs affects the PBH mass spectrum that we previously obtained using a Boltzmann equation model for the evolution of the mass spectrum with no mass loss. We find that if the initial cosmological redshift is of the order of 10 12 , then the fraction of primordial holes with masses greater than 10 3 solar masses appears to be close to what is required to provide the seeds for galaxies. In addition, we note that as a result of rapid collisions and strong coupling to electromagnetic radiation for temperatures > GeV, there will be an effective low-mass cutoff in the mass spectrum for PBH masses less than a certain PBH mass less than 0.1M ⊙ . We also point out that this cutoff in the mass spectrum below ~ 0.1M ⊙ can be confirmed by combining future microlensing observations from the Roman Space Telescope and the Vera C. Rubin Observatory with astrometric observations.

79 ASTRONOMY AND ASTROPHYSICS↗