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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Plasma acceleration using a radio frequency self-bias effect

In this work plasma acceleration using a RF self-bias effect is experimentally studied. The experiments are conducted using a novel plasma accelerator system, called Neptune, consisting of an inductively coupled plasma source and a RF-biased set of grids. The plasma accelerator can operate in a steady state mode, producing a plasma flow with separately controlled plasma flux and velocity without any magnetic configuration. The operating pressure at the source output is as low as 0.2 mTorr and can further be decreased. The ion and electron flows are investigated by measuring the ion and electron energy distribution functions both space resolved and with different orientations with respect to the flow direction. It is found that the flow of electrons from the source is highly anisotropic and directed along the ion flow and this global flow of accelerated plasma is well localized in the plasma transport chamber. The maximum flux is about 7.5·10{sup 15} ions s{sup −1} m{sup −2} (at standard conditions) on the axis and decreasing to almost zero at a radial distances of more than 15 cm from the flow axis. Varying the RF acceleration voltage in the range 20–350 V, the plasma flow velocity can be changed between 10 and 35 km/s. The system is prospective for different technology such as space propulsion and surface modification and also interesting for fundamental studies for space-related plasma simulations and investigation of the dynamo effect using accelerated rotating plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Effect of Coulomb collision on the negative ion extraction mechanism in negative ion sources

To improve the H{sup −} ion beam optics, it is necessary to understand the energy relaxation process of surface produced H{sup −} ions in the extraction region of Cs seeded H{sup −} ion sources. Coulomb collisions of charged particles have been introduced to the 2D3V-PIC (two dimension in real space and three dimension in velocity space particle-in-cell) model for the H{sup −} extraction by using the binary collision model. Due to Coulomb collision, the lower energy part of the ion energy distribution function of H{sup −} ions has been greatly increased. The mean kinetic energy of the surface produced H{sup −} ions has been reduced to 0.65 eV from 1.5 eV. It has been suggested that the beam optics of the extracted H{sup −} ion beam is strongly affected by the energy relaxation process due to Coulomb collision.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Particle in cell/Monte Carlo collision analysis of the problem of identification of impurities in the gas by the plasma electron spectroscopy method

The work deals with the Particle in Cell/Monte Carlo Collision (PIC/MCC) analysis of the problem of detection and identification of impurities in the nonlocal plasma of gas discharge using the Plasma Electron Spectroscopy (PLES) method. For this purpose, 1d3v PIC/MCC code for numerical simulation of glow discharge with nonlocal electron energy distribution function is developed. The elastic, excitation, and ionization collisions between electron-neutral pairs and isotropic scattering and charge exchange collisions between ion-neutral pairs and Penning ionizations are taken into account. Applicability of the numerical code is verified under the Radio-Frequency capacitively coupled discharge conditions. The efficiency of the code is increased by its parallelization using Open Message Passing Interface. As a demonstration of the PLES method, parallel PIC/MCC code is applied to the direct current glow discharge in helium doped with a small amount of argon. Numerical results are consistent with the theoretical analysis of formation of nonlocal EEDF and existing experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Single-shot ultrafast dynamics of nanosecond pulsed plasmas: Transition from ps–ns nonequilibrium to near-full ionization

The ultrafast multi-stage evolution of state-defining properties in atmospheric-pressure nanosecond pulsed plasmas is quantified using single-discharge, jitter-free, continuous streak-sweep spectroscopy of N 2 (C → B) molecular and N + /O + ionic species with a single-shot time resolution as short as ∼160 ps. An early period of extreme nonequilibrium is observed with vibrational temperatures [T V (C)] dropping from ∼8000 K at <200 ps after plasma breakdown to <4000 K within ∼1 ns, with near-ambient rotational temperatures [T R (C)] ∼ 300 K due to limited collisional energy transfer. This early-time T V (C) trend is representative of a direct and unquenched look into the high-energy tail of the electron energy distribution function; thus, it tracks real-time changes in the mean electron energy via the N2(C) emission signatures. This is followed by the rapid onset of N + /O + ionic emission after a distinct time delay of ∼14.9 ns due to multistep chemical kinetics. The ionic emission enables determination of electron densities (n e ) >2 × 10 19 cm −3 and electron temperatures (T e ) >36 000 K, indicating the transition to a nearly fully ionized regime. The ps–ns temporal dynamics are also compared between air and N 2 plasmas to assess the influence of collisional partners, as well as across the anode, cathode, and central gap regions to identify spatial variations in plasma behavior. Finally, this work demonstrates versatile continuously probing approach capable of spectro-temporal and spatially resolved single-shot measurements of key state variables in the ps–ns evolution of atmospheric-pressure nanosecond pulsed plasmas.

Electric discharges↗
DOE OSTI2015

The bispectrum of cosmic string temperature fluctuations including recombination effects

We calculate the cosmic microwave background temperature bispectrum from cosmic strings, including the contributions from the last scattering surface, using a well-established Gaussian model for the string energy-momentum correlation functions, and a simplified model for the cosmic fluid. We check our approximation for the integrated Sachs-Wolfe (ISW) contribution against the bispectrum obtained from the full sky map of the cosmic string ISW signal used by the Planck team, obtaining good agreement. We validate our model for the last scattering surface contribution by comparing the predicted temperature power spectrum with that obtained from a full Boltzmann code treatment applied to the Unconnected Segment Model of a string network. We find that including the last scattering contribution has only a small impact on the upper limit on the string tension resulting from the bispectrum at Planck resolutions, and argue that the bispectrum is unlikely to be competitive with the power spectrum at any resolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Electron beam test of the large area Mu2e calorimeter prototype

The Mu2e calorimeter consists of 1348 pure CsI crystals coupled to two large area UV-extended Silicon Photomultipliers (SiPMs) organized in two separate annular disks. An intense R&D phase has been pursued to check if this configuration satisfies the Mu2e requirements. In May 2017, a dedicated test has been performed at the Beam Test Facility (BTF) in Frascati (Italy) where the large calorimeter prototype (Module-0) has been exposed to an electron beam in the energy range between 60 and 120 MeV. The prototype consists of 51 crystals, each one readout by two Mu2e SiPMs. We present results for timing and energy resolution both for electrons at normal incidence (0°) and at a grazing impact angle (50°) more similar to the experiment configuration. At 100 MeV, an energy resolution of 5.4% (7.4%) at normal (grazing) incidence has been achieved in good agreement with Monte Carlo expectation. In the same energy range, a time resolution of ~XX ps (~YY ps) has been measured at normal incidence with 1 GHz (250 MHz) sampling rate. Dependence of time and energy resolutions as a function of beam energy and impinging angle are also presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Prompt-fission-neutron spectra in the 239 Pu( n,f ) reaction

Prompt-fission-neutron spectra from Pu 239 ( n , f ) were measured with respect to Cf 252 spontaneous fission for incident neutron energies from 0.7 to 700 MeV at the Weapons Neutron Research facility (WNR) of the Los Alamos Neutron Science Center. A newly designed high-efficiency fission chamber was coupled to the highly segmented Chi-Nu neutron liquid scintillator array to detect neutrons emitted in fission events. The double time-of-flight technique was used to deduce the incident neutron energies from the spallation target and the outgoing-neutron energies from the fission chamber. Prompt-fission-neutron spectra (PFNS) were measured with respect to Cf 252 spontaneous fission down to 200 keV and up to about 12 MeV for all the incident neutron energies with typical total uncertainties well below 2 % up to about 7-MeV outgoing-neutron energy. The general trend of PFNS is well reproduced by JEFF3.3 and ENDF evaluations, although a better agreement is found with JEFF3.3. Discrepancies were observed for the low-energy part of the spectra, especially around the opening of the second-, third- and fourth-chance fission. Additionally, neutron average kinetic energies as a function of incident neutron energy are obtained experimentally with reported total uncertainties below 0.5 % . The measured values agree with the most recent data. The trend is fairly well reproduced by the JEFF3.3 evaluation, although it fails to reproduce the experimental values within their uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Deep potential molecular dynamics simulations of ion-enhanced etching of silicon by atomic chlorine

The continued development of plasma-assisted processing techniques requires a fundamental understanding of plasma-surface interactions. Molecular dynamics (MD) simulations have been employed to complement experimental studies and better understand the properties of such systems. Recently, machine learning (ML) methods have enabled the development of ab initio-based interatomic potentials, which can be generalized to complex combinations of multiple atom types. In this work, we use ML potentials developed using the Deep Potential Molecular Dynamics (DeepMD) framework to provide a model of ion-enhanced etching of Si by Cl atoms. We demonstrate the importance of proper selection of the training data set to the accuracy of the DeepMD model and compare our results to MD results using empirical potentials, as well as to experimental measurements. Exposure of undoped Si at 300 K to thermal Cl atoms yields a steady-state Cl coverage of 1.25 monolayers, which is slightly lower than the value obtained in previous experimental studies. Predictions of Si etch yields by simultaneous Cl atom and Ar + ion impacts as a function of ion energy, neutral to ion flux ratio, and angle of incidence of the ions are in reasonably good agreement with classical MD results and experimental measurements. Finally, etch yields and SiCl x mixed layer thicknesses during simultaneous bombardment of the Si(100) surface by Cl atoms and Cl + ions are in good agreement with experimental data. In conclusion, the present work is a necessary condition for the extension of the DeepMD procedure to more complex systems of interest in plasma-surface interactions.

Artificial neural networks↗
DOE OSTI2019

Structure of the Wall Sheath in a Gas-Discharge Plasma for an Arbitrary Orientation of a Flat Probe Relative to the Electric Field in the Plasma

We investigate the structure of the wall sheath of a gas discharge near a flat surface at a negative potential for high mean electron energy. It is shown that in the conditions where the mean energy of ions in the plasma is much lower than the mean electron energy, the parameters of the wall sheath weakly depend on the mutual orientation of the normal to the surface and the electric field in the plasma for an arbitrary ratio of the Debye radius to the ion mean free path relative to the resonant charge exchange process. It is found that for inert gases (He, Ar) for ratio E/P of the electric field to pressure exceeding 10 V/(cm Torr) in the plasma, the disregard of ionization in the perturbed wall sheath can lead to substantial errors in the calculation of its parameters. It is shown that the ionization leads to an increase in the electric field in the wall sheath and, as a consequence, to an increase in the mean velocity of ions at the boundary between the quasi-neutral presheath and the part of the perturbed wall sheath in which quasi-neutrality is substantially violated. The parameters of the wall sheath where quasi-neutrality is significantly violated depend on the ionization rate much less strongly than the corresponding parameters of the quasi-neutral presheath. We have determined the relation for concentration of charged particles in the unperturbed plasma from the ion saturation current considering the actual ion energy distribution function in the plasma as well as ionization in the presheath and the part of the perturbed wall sheath in which quasi-neutrality is violated significantly.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Cooperation on Improved Isotopic Identification and Analysis Software for Portable, Electrically Cooled High-Resolution Gamma Spectrometry Systems Final Report

Under a 2006 agreement between the Department of Energy (DOE) of the United States of America and the Institut de Radioprotection et de Sûreté Nucléaire (IRSN) of France, the National Nuclear Security Administration (NNSA) within DOE and IRSN initiated a collaboration to improve isotopic identification and analysis of nuclear material [i.e., plutonium (Pu) and uranium (U)]. The specific aim of the collaborative project was to develop new versions of two types of isotopic identification and analysis software: (1) the fixed-energy response-function analysis for multiple energies (FRAM) codes and (2) multi-group analysis (MGA) codes. The project is entitled Action Sheet 4 – Cooperation on Improved Isotopic Identification and Analysis Software for Portable, Electrically Cooled, High-Resolution Gamma Spectrometry Systems (Action Sheet 4). FRAM and MGA/U235HI are software codes used to analyze isotopic ratios of U and Pu. FRAM is an application that uses parameter sets for the analysis of U or Pu. MGA and U235HI are two separate applications that analyze Pu or U, respectively. They have traditionally been used by safeguards practitioners to analyze gamma spectra acquired with high-resolution gamma spectrometry (HRGS) systems that are cooled by liquid nitrogen. However, it was discovered that these analysis programs were not as accurate when used on spectra acquired with a newer generation of more portable, electrically cooled HRGS (ECHRGS) systems. In response to this need, DOE/NNSA and IRSN collaborated to update the FRAM and U235HI codes to improve their performance with newer ECHRGS systems. Lawrence Livermore National Laboratory (LLNL) and Los Alamos National Laboratory (LANL) performed this work for DOE/NNSA.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1972

Synthesis of shuttle vehicle damping using substructure test results

An empirical method is developed for predicting the modal damping of a combined parallel-stage shuttle model by means of damping measurements performed on the individual substructures. Correlations are first determined for each component in terms of damping energy as a function of peak kinetic energy and modal amplitude. The results are then used to predict component damping energies corresponding to the respective kinetic energies and amplitudes that occur for the new modes of the combined system. Modal characteristics for the system, other than damping, are obtained by a real eigenvalue solution of dynamic equations developed by Hurty's procedure of substructures. System equations, which include component modal damping, are also solved by a complex eigenvalue approach for comparison with results of the empirical method.

Kana, D. D.↗
NASA NTRS1979

Vibronic effects in the predissociation of the C/1/Pi/u state of C2N2

The partitioning of excess photochemical energy as a function of the vibrational energy of the state of C2N2 has been measured. Surprisal theory has been used to analyze the data and it shows that complete randomization does not occur before dissociation. The results are also inconsistent with the predictions of the quasidiatomic theory for photodissociation.

Miller, G. E.↗
NASA NTRS2003

Specific Hardening Function Definition and Characterization of a Multimechanism Generalized Potential-based Viscoelastoplasticity Model

Given the previous complete-potential structure framework together with the notion of strain- and stress-partitioning in terms of separate contributions of several submechanisms (viscoelastic and viscoplastic) to the thermodynamic functions (stored energy and dissipation) a detailed viscoelastoplastic multimechanism characterization of a specific hardening functional form of the model is presented and discussed. TIMETAL 21S is the material of choice as a comprehensive test matrix, including creep, relaxation, constant strain-rate tension tests, etc. are available at various temperatures. Discussion of these correlations tests, together with comparisons to several other experimental results, are given to assess the performance and predictive capabilities of the present model particularly with regard to the notion of hardening saturation as well as the interaction of multiplicity of dissipative (reversible/irreversible) mechanisms.

Arnold, S. M.↗
NASA NTRS2009

A Semiclassical Derivation of the QCD Coupling

The measured value of the QCD coupling alpha(sub s) at the energy M(sub Zo), the variation of alpha(sub s) as a function of energy in QCD, and classical relativistic dynamics are used to investigate virtual pairs of quarks and antiquarks in vacuum fluctuations. For virtual pairs of bottom quarks and antiquarks, the pair lifetime in the classical model agrees with the lifetime from quantum mechanics to good approximation, and the action integral in the classical model agrees as well with the action that follows from the Uncertainty Principle. This suggests that the particles might have small de Broglie wavelengths and behave with well-localized pointlike dynamics. It also permits alpha(sub s) at the mass energy twice the bottom quark mass to be expressed as a simple fraction: 3/16. This is accurate to approximately 10%. The model in this paper predicts the measured value of alpha(sub s)(M(sub Zo)) to be 0.121, which is in agreement with recent measurements within statistical uncertainties.

Batchelor, David↗
DOE OSTI2017

AC induction field heating of graphite foam

A magneto-energy apparatus includes an electromagnetic field source for generating a time-varying electromagnetic field. A graphite foam conductor is disposed within the electromagnetic field. The graphite foam when exposed to the time-varying electromagnetic field conducts an induced electric current, the electric current heating the graphite foam. An energy conversion device utilizes heat energy from the heated graphite foam to perform a heat energy consuming function. A device for heating a fluid and a method of converting energy are also disclosed.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

First-principles study of L -shell iron and chromium opacity at stellar interior temperatures

Recently developed free-energy density functional theory (DFT)-based methodology for optical property calculations of warm dense matter has been applied for studying L-shell opacity of iron and chromium at T = 182 eV. We use Mermin–Kohn–Sham density functional theory with a ground-state and a fully temperature-dependent generalized gradient approximation exchange-correlation (XC) functionals. It is demonstrated that the role of XC at such a high-T is negligible due to the total free-energy of interacting system being dominated by the noninteracting free-energy term in agreement with estimations for the homogeneous electron gas. Furthermore, our DFT predictions are compared to the radiative emissivity and opacity of dense plasmas model, to the real-space Greens function method, and to experimental measurements. Good agreement is found between all three theoretical methods, and in the bound–continuum region for Cr when compared to the experiment, while the discrepancy between direct DFT calculations and the experiment for Fe remains essentially the same as for plasma-physics models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Learning local and semi-local density functionals from exact exchange-correlation potentials and energies

Finding accurate exchange-correlation (XC) functionals remains the defining challenge in density functional theory (DFT). Despite 40 years of active development, attaining general purpose chemical accuracy is still elusive with existing functionals. We present a data-driven pathway to learn the XC functional by using the exact density, XC energy, and XC potential. While the exact densities are obtained from accurate configuration interaction (CI), the exact XC energies and XC potentials are obtained via inverse DFT calculations on the CI densities. We demonstrate how simple neural network (NN)–based local density approximation (LDA) and generalized gradient approximation (GGA), trained on just five atoms and two molecules, provide remarkable improvement in total energies and densities. Particularly, the NN-based GGA functional attains similar accuracy as the higher rung SCAN meta-GGA on various thermochemistry datasets. These results underscore the promise of using the XC potential in modeling XC functionals and can pave the way for systematic learning of increasingly accurate XC functionals.

Science & Technology - Other Topics↗
DOE OSTI2015

Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method

The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term the Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗