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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Study of dust particle charging in weakly ionized inert gases taking into account the nonlocality of the electron energy distribution function

The charging of dust particles in weakly ionized inert gases at atmospheric pressure has been investigated. The conditions under which the gas is ionized by an external source, a beam of fast electrons, are considered. The electron energy distribution function in argon, krypton, and xenon has been calculated for three rates of gas ionization by fast electrons: 10{sup 13}, 10{sup 14}, and 10{sup 15} cm{sup ⃛} s{sup −1}. A model of dust particle charging with allowance for the nonlocal formation of the electron energy distribution function in the region of strong plasma quasi-neutrality violation around the dust particle is described. The nonlocality is taken into account in an approximation where the distribution function is a function of only the total electron energy. Comparative calculations of the dust particle charge with and without allowance for the nonlocality of the electron energy distribution function have been performed. Allowance for the nonlocality is shown to lead to a noticeable increase in the dust particle charge due to the influence of the group of hot electrons from the tail of the distribution function. It has been established that the screening constant virtually coincides with the smallest screening constant determined according to the asymptotic theory of screening with the electron transport and recombination coefficients in an unperturbed plasma.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1982

A high time resolution study of the solar wind-magnetosphere energy coupling function

A high time resolution study of the relationships between the solar wind-magnetosphere energy coupling function and the total energy dissipation rate of the magnetosphere is made using 5-min average values of solar wind data and of the geomagnetic indices AE and Dst. All the results are essentially the same as those obtained by the earlier studies which were based on the hourly average data set. Therefore, it is confirmed that the magnetosphere is primarily a driven system

Akasofu, S.-I.↗
DOE OSTI2026

Monte Carlo simulation methodology for characterizing the energy response function and resolving power of a digital Flat Panel Detector (FPD) assembly

The use of high-resolution, digital flat panel detectors (FPDs) makes quantitative assessments of radiographic and 3D tomographic representations feasible. However, the energy response function and spatial resolving power of the detector must be known. Here, we present a methodology for characterizing an FPD assembly using Monte Carlo simulations. The detector assembly modeled here was fielded in the 3-Ring Flash X-ray Imaging System designed and built at Lawrence Livermore National Laboratory (LLNL), which employs fifteen Carestream ® HPX-DR3543 FPDs enclosed in protective housings. Detailed Monte Carlo (MCNP6) simulations of an as-fielded detector assembly were performed to estimate its energy response function in terms of analog-to-digital unit (ADU) “counts” per pixel per incident x-ray as a function of energy up to ∼ 500 keV and its theoretical (idealized) resolving power. The practical resolving power of the FPD assembly in a realistic scenario was then estimated by simulating radiographic images of a variant of the United Kingdom (U.K.) “Kaleidoscope” resolution target.

Physics↗
DOE OSTI2014

Enhanced von Weizsäcker Wang-Govind-Carter kinetic energy density functional for semiconductors

We propose a new form of orbital-free (OF) kinetic energy density functional (KEDF) for semiconductors that is based on the Wang-Govind-Carter (WGC99) nonlocal KEDF. We enhance within the latter the semi-local von Weizsäcker KEDF term, which is exact for a single orbital. The enhancement factor we introduce is related to the extent to which the electron density is localized. The accuracy of the new KEDF is benchmarked against Kohn-Sham density functional theory (KSDFT) by comparing predicted energy differences between phases, equilibrium volumes, and bulk moduli for various semiconductors, along with metal-insulator phase transition pressures. We also compare point defect and (100) surface energies in silicon for a broad test of its applicability. This new KEDF accurately reproduces the exact non-interacting kinetic energy of KSDFT with only one additional adjustable parameter beyond the three parameters in the WGC99 KEDF; it exhibits good transferability between semiconducting to metallic silicon phases and between various III-V semiconductors without parameter adjustment. Overall, this KEDF is more accurate than previously proposed OF KEDFs (e.g., the Huang-Carter (HC) KEDF) for semiconductors, while the computational efficiency remains at the level of the WGC99 KEDF (several hundred times faster than the HC KEDF). This accurate, fast, and transferable new KEDF holds considerable promise for large-scale OFDFT simulations of metallic through semiconducting materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Effect of electron energy distribution functions on plasma generated vacuum ultraviolet in a diffusion plasma excited by a microwave surface wave

Plasma generated vacuum ultraviolet (VUV) in diffusion plasma excited by a microwave surface wave has been studied by using dielectric-based VUV sensors. Evolution of plasma VUV in the diffusion plasma as a function of the distance from the power coupling surface is investigated. Experimental results have indicated that the energy and spatial distributions of plasma VUV are mainly controlled by the energy distribution functions of the plasma electrons, i.e., electron energy distribution functions (EEDFs). The study implies that by designing EEDF of plasma, one could be able to tailor plasma VUV in different applications such as in dielectric etching or photo resist smoothing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Turning the nuclear energy density functional method into a proper effective field theory: reflections

Nuclear energy density functionals (EDFs) have a lengthy history of success in reproducing properties of nuclei across the table of the nuclides. They capture quantitatively the emergent features of bound nuclei, such as nuclear saturation and pairing, yet greater accuracy and improved uncertainty quantification are actively sought. Implementations of phenomenological EDFs are suggestive of effective field-theory (EFT) formulations and there are hints of an underlying power counting. Multiple paths are possible in trying to turn the nuclear EDF method into a proper EFT. I comment here on the current situation and speculate on how to proceed using an effective action formulation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Effect of Pressure on the Electronic, Magnetic, and Optical Properties of the In{sub 0.75}Cr{sub 0.25}P Compound

Using the density functional theory (DFT) approach and full-potential linearized augmented plane waves (FP-LAPW) method, some of the electronic (density of states, band structure, and Fermi surfaces), magnetic (total and local magnetic moments, spin polarization, exchange constants), and optical properties (dielectric function, energy loss function, and refractive index) were investigated. The GGA + U approximation was used for the exchange-correlation term. The effect of hydrostatic pressure up to 20 GP has been studied on these properties. The results show that the In{sub 0.75}Cr{sub 0.25}P compound is a half metal with 100% spin polarization at the Fermi level and the increment of pressure does not change its half-metallic behavior. The half-metal gap achieved for this compound is variable between 1.38 and 1.5 eV. The interaction between Cr and P atoms in this compound is an anti-ferromagnetic type. It was observed that the total magnetic moment for this compound is about 3 μ{sub B}. Local magnetic moments change with increasing pressure, but the total magnetic moment remains unaffected by increasing the pressure. Calculations of the optical properties of the In{sub 0.75}Cr{sub 0.25}P compound showed that the dominant mechanism for the low-energy photons is due to the induced free carriers of the Cr atom, and the optical properties of this compound, in particular the refractive index in the visible region, change with increasing pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Universal reduced basis for the calibration of covariant energy density functionals

The reduced basis method is used to construct a “universal” basis of Dirac orbitals that may be applicable throughout the nuclear chart to calibrate covariant energy density functionals. Relative to the successful development of a reduced basis emulator for the nonrelativistic Schrödinger equation, the Dirac equation adds an extra layer of complexity due to the existence of negative energy states, which complicates building an efficient reduced basis. However, once this problem is mitigated, the resulting reduced basis is able to accurately and efficiently reproduce the high-fidelity model at a fraction of the computational cost. We are confident that the resulting reduced basis will serve as a foundational element in developing rapid and accurate emulators. In turn, these emulators will play a critical role in the Bayesian optimization of covariant energy density functionals.

Bayesian methods↗
DOE OSTI2012

Finite-size instabilities in nuclear energy density functionals

The systematic lack of convergence of self-consistent mean-field calculations with certain parameterizations of the Skyrme energy density functional has been attributed to the appearance of finite-size instabilities. In this contribution, we investigate what happens at the instability associated with the C{sub 0}{sup {Delta}s}s{sub 0} Dot-Operator {Delta}s{sub 0} term in a high-spin state of the superdeformed band in {sup 194}Hg.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1980

The energy coupling function and the power generated by the solar wind-magnetosphere dynamo

A solar wind parameter epsilon, known as the energy coupling function, has been shown to correlate with the power consumption in the magnetosphere. It is shown in the present paper that the parameter epsilon can be identified semi-quantitatively as the dynamo power delivered from the solar wind to an open magnetosphere. This identification not only provides a theoretical basis for the energy coupling function, but also constitutes an observational verification of the solar wind-magnetosphere dynamo along the magnetotail. Moreover, one can now conclude that a substorm results when the dynamo power exceeds 10 to the 18th erg/s.

Kan, J. R.↗
DOE OSTI2013

Electron energy distribution function control in gas discharge plasmas

The formation of the electron energy distribution function (EEDF) and electron temperature in low temperature gas discharge plasmas is analyzed in frames of local and non-local electron kinetics. It is shown, that contrary to the local case, typical for plasma in uniform electric field, there is the possibility for EEDF modification, at the condition of non-local electron kinetics in strongly non-uniform electric fields. Such conditions “naturally” occur in some self-organized steady state dc and rf discharge plasmas, and they suggest the variety of artificial methods for EEDF modification. EEDF modification and electron temperature control in non-equilibrium conditions occurring naturally and those stimulated by different kinds of plasma disturbances are illustrated with numerous experiments. The necessary conditions for EEDF modification in gas discharge plasmas are formulated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1976

Calculations of the Electron Energy Distribution Function in a Uranium Plasma by Analytic and Monte Carlo Techniques

Electron energy distribution functions were calculated in a U235 plasma at 1 atmosphere for various plasma temperatures and neutron fluxes. The distributions are assumed to be a summation of a high energy tail and a Maxwellian distribution. The sources of energetic electrons considered are the fission-fragment induced ionization of uranium and the electron induced ionization of uranium. The calculation of the high energy tail is reduced to an electron slowing down calculation, from the most energetic source to the energy where the electron is assumed to be incorporated into the Maxwellian distribution. The pertinent collisional processes are electron-electron scattering and electron induced ionization and excitation of uranium. Two distinct methods were employed in the calculation of the distributions. One method is based upon the assumption of continuous slowing and yields a distribution inversely proportional to the stopping power. An iteration scheme is utilized to include the secondary electron avalanche. In the other method, a governing equation is derived without assuming continuous electron slowing. This equation is solved by a Monte Carlo technique.

Bathke, C. G.↗
DOE OSTI2013

Molecular dynamics simulation of self-rotation effects on ultra-precision polishing of single-crystal copper

Understanding the behaviors of the material removal mechanism of ultra-precision polishing process has been a critical issue of generating well-formed surface. In order to make clear the abrasive self-rotation effects on material removal at the atomic level, a three-dimensional molecular dynamics (MD) model is conducted to study the mechanics of ultra-precision polishing on single-crystal copper with a diamond abrasive and the effects of abrasive self-rotation velocity and direction. Morse potential energy function and EAM potential energy function are applied to model the copper/diamond and copper/copper interactions, respectively. The simulation results show that the deformation mechanism of single-crystal copper is due to the formation and movement of dislocations in the specimen. In addition, with the increasing of abrasive self-rotation velocity, the deformation mechanism falls from cutting to plowing regimes. The abrasive self-rotation velocity and direction have effects on the morphology and quality of the specimen surface, distribution and evolution of defects under the surface of the specimen. Also, the interatomic force between abrasive and specimen is studied to account for the effects of different polishing conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

On modified finite difference method to obtain the electron energy distribution functions in Langmuir probes

A modified central difference method (MCDM) is proposed to obtain the electron energy distribution functions (EEDFs) in single Langmuir probes. Numerical calculation of the EEDF with MCDM is simple and has less noise. This method provides the second derivatives at a given point as the weighted average of second order central difference derivatives calculated at different voltage intervals, weighting each by the square of the interval. In this paper, the EEDFs obtained from MCDM are compared to those calculated via the averaged central difference method. It is found that MCDM effectively suppresses the noises in the EEDF, while the same number of points are used to calculate of the second derivative.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Bayesian model mixing with multireference energy density functional

Reliably predicting nuclear properties across the entire chart of isotopes is important for applications ranging from nuclear astrophysics to superheavy science to nuclear technology. To this day, however, all the theoretical models that can scale at the level of the chart of isotopes remain semiphenomenological. Because they are fitted locally, their predictive power can vary significantly; different versions of the same theory provide different predictions. Bayesian model mixing takes advantage of such imperfect models to build a local mixture of a set of models to make improved predictions. Earlier attempts to use Bayesian model mixing for mass table calculations relied on models treated at single-reference energy density functional level, which fail to capture some of the correlations caused by configuration mixing or the restoration of broken symmetries. In this study we have applied Bayesian model mixing techniques within a multireference energy density functional (MR-EDF) framework. We considered predictions of two-particle separation energies from particle number projection or angular momentum projection with four different energy density functionals—a total of eight different MR-EDF models. We used a hierarchical Bayesian stacking framework with a Dirichlet prior distribution over weights together with an inverse log-ratio transform to enable positive correlations between different models. We found that Bayesian model mixing provides significantly improved predictions compared to the participating models. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Nuclear energy density functionals grounded in ab initio calculations

Here, we discuss the construction of a nuclear energy density functional (EDF) from ab initio computations and advocate the need for a methodical approach that is free from ad hoc assumptions. The equations of state (EoSs) of symmetric nuclear and pure neutron matter are computed using the chiral NNLO sat and the phenomenological AV4' + UIX c Hamiltonians as inputs to self-consistent Green's function (SCGF) and auxiliary field diffusion Monte Carlo (AFDMC) methods. We propose a convenient parametrization of the EoS as a function of the Fermi momentum and fit it on the SCGF and AFDMC calculations. We apply the ab initio based EDF to carry out an analysis of the binding energies and charge radii of different nuclei in the local density approximation. The NNLO sat -based EDF produces encouraging results, whereas the AV4' + UIX c -based one is farther from experiment. Possible explanations of these different behaviors are suggested, and the importance of gradient and spin-orbit terms is analyzed. Our paper paves the way for a practical and systematic way to merge ab initio nuclear theory and density functional theory, while shedding light on some critical aspects of this procedure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Electron energy distribution function by using probe method in electron cyclotron resonance multicharged ion source

We are constructing a tandem type electron cyclotron resonance (ECR) ion source (ECRIS). High-energy electrons in ECRIS plasma affect electron energy distribution and generate multicharged ion. In this study, we measure electron energy distribution function (EEDF) of low energy region (≦100 eV) in ECRIS plasma at extremely low pressures (10{sup −3}–10{sup −5} Pa) by using cylindrical Langmuir probe. From the result, it is found that the EEDF correlates with the electron density and the temperature from the conventional probe analysis. In addition, we confirm that the tail of EEDF spreads to high energy region as the pressure rises and that there are electrons with high energy in ECR multicharged ion source plasma. The effective temperature estimated from the experimentally obtained EEDF is larger than the electron temperature obtained from the conventional method.

43 PARTICLE ACCELERATORS↗
NASA NTRS1993

Classifying multispectral data by neural networks

Several energy functions for synthesizing neural networks are tested on 2-D synthetic data and on Landsat-4 Thematic Mapper data. These new energy functions, designed specifically for minimizing misclassification error, in some cases yield significant improvements in classification accuracy over the standard least mean squares energy function. In addition to operating on networks with one output unit per class, a new energy function is tested for binary encoded outputs, which result in smaller network sizes. The Thematic Mapper data (four bands were used) is classified on a single pixel basis, to provide a starting benchmark against which further improvements will be measured. Improvements are underway to make use of both subpixel and superpixel (i.e. contextual or neighborhood) information in tile processing. For single pixel classification, the best neural network result is 78.7 percent, compared with 71.7 percent for a classical nearest neighbor classifier. The 78.7 percent result also improves on several earlier neural network results on this data.

Telfer, Brian A.↗