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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Post-Newtonian kinetic theory

A kinetic theory for relativistic gases in the presence of gravitational fields is developed in the second post-Newtonian approximation. The corresponding Boltzmann equation is determined from the evolution of the one-particle distribution function with respect to the proper time along the world line of the particle. From the knowledge of the equilibrium Maxwell–Jüttner distribution function in the second post-Newtonian approximation the components of the particle four-flow and energy–momentum tensor are obtained. The Eulerian hydrodynamic equations for the mass density, mass-energy density and momentum density in the second post-Newtonian approximation are determined from the Boltzmann equation. It is shown that the combination of the hydrodynamic equations of mass and mass-energy densities leads to the hydrodynamic equation for the internal energy density in the first post-Newtonian approximation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Alkali hydroxide (LiOH, NaOH, KOH) in water: Structural and vibrational properties, including neutron scattering results

Structural and vibrational properties of aqueous solutions of alkali hydroxides (LiOH, NaOH, and KOH) are computed using quantum molecular dynamics simulations for solute concentrations ranging between 1 and 10M. Element-resolved partial radial distribution functions, neutron and x-ray structure factors, and angular distribution functions are computed for the three hydroxide solutions as a function of concentration. The vibrational spectra and frequency-dependent conductivity are computed from the Fourier transforms of velocity autocorrelation and current autocorrelation functions. Our results for the structure are validated with the available neutron data for 17M concentration of NaOH in water [Semrouni et al., Phys. Chem. Chem. Phys. 21, 6828 (2019)]. We found that the larger ionic radius [rLi+

Chemistry↗
DOE OSTI2020

Progress in modelling fast-ion D-alpha spectra and neutral particle analyzer fluxes using FIDASIM

FIDASIM is a code that models signals produced by charge-exchange reactions between neutrals and ions (both fast and thermal) in magnetically confined plasmas. With the ion distribution function as input, the code predicts the efflux to a neutral particle analyzer diagnostic and the photon radiance of Balmer-alpha light to a fast-ion D α diagnostic, in addition to many other related quantities. A new, parallelized version of the Monte Carlo code FIDASIM has been developed in Fortran90 that is substantially faster than the original interactive data language version. Modified algorithms include more accurate treatments of the time dependent collisional-radiative equations that describe neutral energy levels, of the cloud of ‘halo’ neutrals that surround the injected neutral beam, and of finite Larmor radius effects. Enhanced physics capabilities include modelling ‘passive’ signals from cold edge neutrals, the ability to treat general three-dimensional magnetic confinement configurations, and calculations of diagnostic-specific weight functions that enable tomographic reconstructions of the fast-ion distribution function. Neutral beam attenuation, beam emission, and fast-ion birth profiles are also modelled. Finally, the new algorithms have been successfully validated against experimental data and new features have been tested through benchmarks between two independently developed versions of the code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1986

Low density gas dynamic wall boundary conditions

Low density nozzles or large expansion ratio nozzles used in space experience rarefaction effects near their exit in the form of velocity slip and temperature jump at the walls. In addition, the boundary layers become very thick and there is a very strong viscous/inviscid interaction. For these reasons no existing design technique has been found to accurately predict the nozzle flow properties up to the nozzle exit. The objective of this investigation was to examine the slip boundary conditions and formulate them in a form appropriate for use with a full Navier-Stokes numerical code. The viscous/inviscid interaction would automatically be accounted for by using a compressible Navier-Stokes code. Through examination of the interaction of molecules with solid surfaces, a model for the distribution function of the reflected molecules has been determined and this distribution function has been used to develop a new slip boundary condition that can be shown to yield more realistic surface boundary conditions.

Collins, F. G.↗
NASA NTRS1986

Analyses of convective flows and spatial gradients in energetic ion observations

Based on the measured anisotropy of three-dimensional energetic ion distributions obtained from the Medium Energy Particle Instrument experiment of the ISEE 1 spacecraft, bulk flow, epsilon x B convection, and pressure gradients in magnetospheric plasmas are measured with two techniques. In the first technique, using a Compton-Getting transform into the appropriate rest frame in an iterative fashion and converging to the unique velocity that removes the first-order anisotropy from the flux angular distribution, the actual measured angular distribution, and spectrum at each angle, are employed. The second technique uses a first moment of the distribution function in which the shift in velocity space of the distribution function is obtained at two phase space density values. The convection contribution to the velocity shift is assumed to be perpendicular to the pressure gradient contribution if an MHD generator condition is assumed, rendering the two shifts separable, and a gradient scale and a lower limit to the convection electric field are derived in one calculation.

Mitchell, D. G.↗
NASA NTRS1989

The distribution of solar magnetic fluxes and the nonlinearity of stellar flux-flux relations

Synoptic maps for the 1975-1984 period are used to determine the time-dependent distribution function of magnetic flux densities in the solar atmosphere. The distribution function depends only on the global level of magnetic activity, and it is used to study how relations between magnetic flux densities and radiative flux densities from different temperature regimes in the outer atmosphere (derived from spatially resolved solar observations) transform into relations between surface-averaged flux densities. It is found that the transformation to surface-averaged fluxes preserves the power-law character of relations between radiative and magnetic flux densities for spatially resolved data.

Schrijver, C. J.↗
DOE OSTI2020

Isotope effects in molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on the SCAN functional

Here, Feynman path-integral deep potential molecular dynamics (PI-DPMD) calculations have been employed to study both light (H 2 O) and heavy water (D 2 O) within the isothermalisobaric ensemble. In particular, the deep neural network is trained based on ab initio data obtained from the strongly constrained and appropriately normed (SCAN) exchange-correlation functional. Because of the lighter mass of hydrogen than deuteron, the properties of light water are more influenced by nuclear quantum effect than those of heavy water. Clear isotope effects are observed and analyzed in terms of hydrogen-bond structure and electronic properties of water that are closely associated with experimental observables. The molecular structures of both liquid H 2 O and D 2 O agree well with the data extracted from scattering experiments. The delicate isotope effects on radial distribution functions and angular distribution functions are well reproduced as well. Our approach demonstrates that deep neural network combined with SCAN functional based ab initio molecular dynamics provides an accurate theoretical tool for modeling water and its isotope effects.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Establishing criteria for the transition from kinetic to fluid modeling in hollow cathode analysis

Hollow cathodes for plasma switch applications are investigated via 2D3V particle-in-cell simulations of the channel and plume region. The kinetic nature of the plasma within the channel is dependent on the thermalization rate of electrons, emitted from the insert. When Coulomb collisions occur at a much greater rate than ionization or excitation collisions, the electron energy distribution function rapidly relaxes to a Maxwellian and the plasma within the channel can be described accurately via a fluid model. In contrast, if inelastic processes are much faster than Coulomb collisions, then the electron energy distribution function in the channel exhibits a notable high-energy tail, and a kinetic treatment is required. This criterion is applied to hollow cathodes from the literature, revealing that a fluid approach is suitable for most electric propulsion applications, whereas a kinetic treatment can be more critical to accurate modeling of plasma switches.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Light mesons with one dynamical gluon on the light front

We obtain the light meson mass spectroscopy from the light-front quantum chromodynamics (QCD) Hamiltonian, determined for their constituent quark-antiquark and quark-antiquark-gluon Fock components, together with a three-dimensional confinement. The eigenvectors of the light-front effective Hamiltonian provide a good quality description of the pion electromagnetic form factor, decay constant, and the valence quark distribution functions following QCD scale evolution. We also show that the pion's gluon densities can be probed through the pion-nucleus induced $J/ψ$ production data. Our pion parton distribution functions provide excellent agreement with $J/ψ$ production data from widely different experimental conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Molecular dynamics based study on the effects of cation size on the local structure and diffusion in polymerized ionic liquids

We have used coarse-grained molecular dynamics simulations to understand the effect of cation size on ion diffusion in polymerized ionic liquids at temperatures well above the glass transition temperature of the polymers. We investigated dependencies of the diffusion constant on the cation radius and static dielectric constant and interpreted these results in terms of underlying structural changes, and decoupling phenomenon. We have found non-monotonic effects of the cation radius on the diffusion constant, with a maximum at an intermediate radius resulting from two different size dependent effects. Changes in the radial distribution functions characterizing spatial distribution of cations with respect to anions result in a monotonic increase in the coordination number. This yields an increase in the effective interaction energy as a function of cation radius, which can explain the decrease in the diffusion constant. This increase is counteracted at small cation radii by a corresponding increase in decoupling of cation and anion dynamics. In addition, the diffusion constant is found to increase on increasing the static dielectric constant for all radii of the cations. These results highlight the significant role of decoupling in designing polymerized ionic liquids with an enhanced diffusion constant of cations.

Gillespie, Colin [ORNL] (ORCID:0000000320287080)↗
NASA NTRS1985

Spline methods for approximating quantile functions and generating random samples

Two cubic spline formulations are presented for representing the quantile function (inverse cumulative distribution function) of a random sample of data. Both B-spline and rational spline approximations are compared with analytic representations of the quantile function. It is also shown how these representations can be used to generate random samples for use in simulation studies. Comparisons are made on samples generated from known distributions and a sample of experimental data. The spline representations are more accurate for multimodal and skewed samples and to require much less time to generate samples than the analytic representation.

Schiess, J. R.↗
DOE OSTI2024

Spectral analysis and kinetic modeling of radioluminescence in air and nitrogen

Here, in this article we present a quantitative analysis of the second positive system of molecular nitrogen and the first negative system of the molecular nitrogen cation excited in the presence of ionizing radiation. Optical emission spectra of atmospheric air and nitrogen surrounding 210 Po sources were measured from 250 to 400 nm. Multi-Boltzmann and non-Boltzmann vibrational distribution spectral models were used to determine the vibrational temperature and vibrational distribution function of the emitting N 2 (C 3 Π u ) and N 2 + (B 2 Σ + u ) states. A zero-dimensional kinetic model, based on the electron energy distribution function (EEDF) and steady-state excitation and de-excitation of N 2 (X 1 Σ + g ), N 2 + (B 2 Σ + u ), N 2 + (X 2 Σ + g ), N 4 + , O 2 + , and N 2 (C 3 Π u , v), was developed for the prediction of the relative spectral intensity of both the N 2 + (B 2 Σ + u → X 2 Σ + g ) emission band and the vibrational bands of N 2 (C 3 Π u → B 3 Π g ) for comparison with the experimental data.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Tensor network simulations of quasi-GPDs in the massive Schwinger model

Generalized parton distribution functions (GPDs) are off-diagonal light-cone matrix elements that encode the internal structure of hadrons in terms of quark and gluon degrees of freedom. In this work, we present the first nonperturbative study of quasi-GPDs in the massive Schwinger model, quantum electrodynamics in 1+1 dimensions (QED 2 ), within the Hamiltonian formulation of lattice field theory. Quasidistributions are spatial correlation functions of boosted states, which approach the relevant light-cone distributions in the luminal limit. Using tensor networks, we prepare the first excited state in the strongly coupled regime and boost it to close to the light-cone on lattices of up to 400 lattice sites. We compute both quasiparton distribution functions and, for the first time, quasi-GPDs, and study their convergence for increasingly boosted states. In addition, we perform analytic calculations of GPDs in the two-particle Fock-space approximation and in the Reggeized limit, providing qualitative benchmarks for the tensor network results. Our analysis establishes computational benchmarks for accessing partonic observables in low-dimensional gauge theories, offering a starting point for future extensions to higher dimensions, non-Abelian theories, and quantum simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1986

Bidirectional reflectance modeling of non-homogeneous plant canopies

The objective of this research is to develop a 3-dimensional radiative transfer model for predicting the bidirectional reflectance distribution function (BRDF) for heterogeneous vegetation canopies. Leaf bidirectional reflectance and transmittance distribution functions were measured for corn and soybean leaves. The measurements clearly show that leaves are complex scatterers and considerable specular reflectance is possible. Because of the character of leaf reflectance, true leaf reflectance is larger than the nadir reflectances that are normally used to represent leaves. A 3-dimensional reflectance model, named BIGAR (Bidirectional General Array Model), was developed and compared with measurements from corn and soybean. The model is based on the concept that heterogeneous canopies can be described by a combination of many subcanopies, which contain all the foliage, and these subcanopy envelopes can be characterized by ellipsoids of various sizes and shapes. The model/measurement comparison results indicate that this relatively simple model captures the essential character of row crop BRDF's. Finally, two soil BDRF models were developed: one represents soil particles as rectangular blocks and the other represents soil particles as spheres. The sphere model was found to be superior.

Norman, John M.↗
NASA NTRS1997

Ponderomotive Force and Lower Hybrid Turbulence Effects in Space Plasmas Subjected to Large-Amplitude Low-Frequency Waves

In the auroral region, simultaneous occurrences of upward-flowing ions and field-aligned electrons have been observed by the Viking satellite. The occurrence is strongly correlated with large amplitude low frequency fluctuations of the electric field. Large-amplitude shear Alfven waves have also been observed by sounding rockets in the auroral ionosphere. When such LF waves are propagating in a plasma, a ponderomotive force and other types of waves are produced which may lead to significant effects on the plasma. This force is directed toward decreasing density, providing the electromagnetic lift of the background plasma and an increase of collisionless plasma expansion. We find that even for modest wave strengths, the influence on the outflowing oxygen ions can be dramatic, increasing the high-altitude density by orders of magnitude. It is also demonstrated that large-amplitude low-frequency waves (LFW) may generate lower hybrid waves (LHW) in the auroral zone. The excitation of LHW by a LF wave may lead to the appearance of an additional channel of energy transfer from, for example, Alfven or fast magnetosonic waves, to particles. This process then influences the formation of the plasma distribution function at the expense of acceleration in the tail of the distribution during the collapse of the LHW. The ion energization due to the LHW can be comparable with that produced by the ponderomotive force of the LFW. It is shown that the LH turbulence leads to equalization of the ponderomotive acceleration of the different ion species. The mechanism of LHW excitation due to the oxygen ion relative drift in a plasma subjected to low-frequency waves is used for analysis of Viking satellite data for events in the cusp/cleft region. It is found that, in some cases, such a mechanism leads to LHW energy densities and ion distribution functions close to those observed.

Khazanov, G. V.↗
NASA NTRS1991

Observations of ion-neutral collisional effects in the auroral E region

Thermal ion energy distribution functions and local electric and magnetic fields were directly measured for the first time in the ionospheric E region. Measured ion distribution functions were fitted to shifted Maxwellian distributions, and their resulting ion drift velocities were compared with E x B/B-squared velocities from the double-probe electric field observations. The results show that the ion drift direction rotates with respect to the local electric field direction and that the ratio of the magnitudes of the ion velocity to the E x B/B-squared velocity decreases with decreasing altitudes. Using these observations, the quiet time ion-neutral collison frequencies and neutral wind velocities were estimated and found to be consistent with theoretical estimates. However, significant discrepancies between observations and theory are found in the disturbed E region near auroral particle precipitation regions. These data indicate that the auroral atmosphere is significantly perturbed due to Joule as well as particle heating effects.

Watanabe, S.↗
NASA NTRS1984

Whistler mode turbulence generated by electron beams in earth's bow shock

The Landau and cyclotron growth rates of whistler mode waves in the earth's bow shock are calculated by using electron distribution functions obtained with the fast plasma experiment on ISEE 2. Three electron distribution functions measured within the transition region of the shock are analyzed. These functions spontaneously generate whistler mode waves with plasma rest frame frequencies between about 0.1 and 100 Hz. The wave normal angles of the generated whistlers range from 0 deg to the resonance cone angle. Electromagnetic Landau resonance and/or cyclotron resonance contribute to wave growth over the range of observed velocity distributions. Waves generated by the normal cyclotron resonance have wave vectors directed toward the solar wind, while those generated by the Landau and the anomalous cyclotron resonances have vectors directed toward the magnetosheath. The preditions of the study are in qualitative agreement with observations of whistler mode waves near the earth's bow shock.

Tokar, R. L.↗