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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Enabling Power at Sea: Opportunities for Expanded Ocean Observations through Marine Renewable Energy Integration

The blue economy is a dynamic and rapidly growing movement that captures the interplay between economic, social, and ecological sustainability of the ocean and encompasses numerous maritime sectors and activities (e.g., commerce and trade; living resources; renewable energy; minerals, materials, and freshwater; and ocean health and data). The demand for ocean data to inform scientific, risk reduction, and national security needs is leading to a large increase in the number of deployed ocean observation and monitoring systems, most of which require increased power. Because ocean observation systems are often placed in remote locations, they primarily rely on energy storage (or in some cases in situ energy generation) to power instruments and equipment, which imposes limits on sampling rates, deployment times, and spatiotemporal resolution of data. The U.S. Department of Energy Water Power Technologies Office is exploring the potential for marine renewable energy (MRE) devices (largely wave and tidal energy converters) to provide power to support multiple blue economy opportunities. A portion of these opportunities focus on power at sea markets for providing power in off-grid and offshore locations to support a variety of ocean-based activities, including ocean observation and navigation, underwater vehicle charging, marine aquaculture, marine algae farming, and seawater mining. Initially, research has focused on better understanding how and where MRE can provide a consistent source of reliable power to extend ocean observing missions, including operation of autonomous underwater vehicles. Online surveys as well as phone and in-person interviews were conducted with experts in the field of ocean observing systems and observatories to gather end-user requirements, determine energy needs, identify opportunities for codevelopment, and pinpoint constraints for MRE to meet those needs. The surveys and interviews provided feedback on the potential for powering devices and vehicles using MRE, including identifying common themes and challenges that will inform foundational research and development steps needed to advance the integration of MRE with ocean observing systems. In most cases, additional power generation on the order of watts was identified as significantly beneficial to enhancing ocean observations capabilities.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Crossed beam energy transfer in the presence of laser speckle ponderomotive self-focusing and nonlinear sound waves

Crossed beam energy transfer, CBET, is investigated by taking into account the speckle structure of smoothed laser beams that overlap in a plasma with an inhomogeneous flow profile. Using the two-dimensional simulation code Harmony, it is shown how ponderomotive self-focusing of laser speckles in crossing beams can significantly affect the transfer of energy from one beam to the other. The role of plasma flow in speckle self-focusing is investigated and revisited, in particular its consequences in terms of redirection and increasing angular spread of the laser beams due to beam bending and plasma-induced smoothing, respectively. In close-to-sonic flow, the onset of self-focusing in the beam speckle structure occurs at considerably lower beam intensities than expected for the case without flow. CBET and speckle self-focusing can, hence, occur together when two crossed beams with equal frequency resonantly exchange energy via their ponderomotively driven density perturbations flowing with sound speed. From the simulations, it is found that consequences of ponderomotive self-focusing can be expected above an average intensity threshold scaling as $I_L~ 2 × 10^{14} W cm^{-2}(λ_0/1 μm)^{-2}(T_e/ keV)$, with an impact on the spatial and temporal coherence of the transmitted light. The density perturbations due to the ponderomotive force of the crossing beams can locally be enhanced in self-focusing speckles, partly leading to shock-like structures. These structures eventually increase the effect of plasma-induced smoothing and are at the origin of the stronger angular spread.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

Dynamics of ultraharmonic resonances in spiral galaxies

The mildly nonlinear response of a fluid disk with pressure, viscosity, and self-gravity to spiral stellar forcing is considered as a model of the interstellar medium in spiral galaxies. Nonlinear effects are analyzed through a quasi-linear flow analysis ordered by successive powers of a dimensionless spiral perturbing force, which is the ratio of imposed nonaxisymmetric gravitational to axisymmetric gravitational forces. Waves with mn arms are launched from a position where the wavenumber of a free wave matches n times the wavenumber of the spiral forcing. The launched short wave in the gas is an interarm feature that is more tightly wrapped than the stellar wave. The gas wave extracts energy and angular momentum from the stellar wave, causing it to damp. The application of the results to the stellar disk alone reveals even stronger damping, as stars undergo Landau damping of the short wave. For parameters in M81, damping times are less than 10 exp 9 yr.

Artymowicz, Pawel↗
NASA NTRS2003

Overview on Role of the Troposphere

The troposphere is the lower boundary for the stratosphere. As such, it provides a radiative boundary that is a large source of IR flux into for the stratosphere and scattered UV-Vis energy. Planetary-scale waves that are forced in the troposphere can propagate into the stratosphere, providing a large additional source of energy for the stratosphere. This wave energy is the principal energy source for the Brewer-Dobson circulation. Medium-scale wave can also propagate into the lower stratosphere, but have a smaller effect. The final source of energy for the stratosphere comes from smaller scale disturbances such as gravity waves, mixed Rossby-gravity modes, and Kelvin waves. These smaller scale waves provide an important source of energy for the stratosphere. In this presentation we will cover these tropospheric sources of energy that effect the stratosphere. In particular, we will focus attention on planetary scale waves and their forcings.

Newman, Paul A.↗
DOE OSTI2021

Wave-driven torques to drive current and rotation

In the classic Landau damping initial value problem, where a planar electrostatic wave transfers energy and momentum to resonant electrons, a recoil reaction occurs in the nonresonant particles to ensure momentum conservation. To explain how net current can be driven in spite of this conservation, the literature often appeals to mechanisms that transfer this nonresonant recoil momentum to ions, which carry negligible current. However, this explanation does not allow the transport of net charge across magnetic field lines, precluding E X B rotation drive. In this study, we show that in steady state, this picture of current drive is incomplete. Using a simple Fresnel model of the plasma, we show that for lower hybrid waves, the electromagnetic energy flux (Poynting vector) and momentum flux (Maxwell stress tensor) associated with the evanescent vacuum wave become the Minkowski energy flux and momentum flux in the plasma and are ultimately transferred to resonant particles. Thus, the torque delivered to the resonant particles is ultimately supplied by the electromagnetic torque from the antenna, allowing the nonresonant recoil response to vanish and rotation to be driven. We present a warm fluid model that explains how this momentum conservation works out locally, via a Reynolds stress that does not appear in the one-dimensional initial value problem. This model is the simplest that can capture both the nonresonant recoil reaction in the initial-value problem, and the absence of a nonresonant recoil in the steady-state boundary value problem, thus forbidding rotation drive in the former while allowing it in the latter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1995

The energy associated with MHD waves generation in the solar wind plasma

Gyrotropic symmetry is usually assumed in measurements of electron distribution functions in the heliosphere. This prevents the calculation of a net current perpendicular to the magnetic field lines. Previous theoretical results derived by one of the authors for a collisionless plasma with isotropic electrons in a strong magnetic field have shown that the excitation of MHD modes becomes possible when the external perpendicular current is non-zero. We consider then that any anisotropic electron population can be thought of as 'external', interacting with the remaining plasma through the self-consistent electromagnetic field. From this point of view any perpendicular current may be due to the anisotropic electrons, or to an external source like a stream, or to both. As perpendicular currents cannot be derived from the measured distribution functions, we resort to Ampere's law and experimental data of magnetic field fluctuations. The transfer of energy between MHD modes and external currents is then discussed.

delaTorre, A.↗
NASA NTRS1984

The adiabatic energy change of plasma electrons and the frame dependence of the cross-shock potential at collisionless magnetosonic shock waves

The adiabatic energy gain of electrons in the stationary electric and magnetic field structure of collisionless shock waves was examined analytically in reference to conditions of the earth's bow shock. The study was performed to characterize the behavior of electrons interacting with the cross-shock potential. A normal incidence frame (NIF) was adopted in order to calculate the reversible energy change across a time stationary shock, and comparisons were made with predictions made by the de Hoffman-Teller (HT) model (1950). The electron energy gain, about 20-50 eV, is demonstrated to be consistent with a 200-500 eV potential jump in the bow shock quasi-perpendicular geometry. The electrons lose energy working against the solar wind motional electric field. The reversible energy process is close to that modeled by HT, which predicts that the motional electric field vanishes and the electron energy gain from the electric potential is equated to the ion energy loss to the potential.

Goodrich, C. C.↗
DOE OSTI2025

HfZr_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-zirconium (Hf-Zr). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Zr. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

HfTa_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-tantalum (Hf-Ta). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Ta. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect BCC lattice sites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,040 randomized atomic structures over 31 chemical compositions. Further methodological and structural information is contained in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2026

HfTi_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-titanium (Hf-Ti). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Ti. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2026

TiV_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys titanium-vanadium (Ti-V). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Ti and V. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2026

NbTi_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys niobium-titanium (Nb-Ti). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP), https://github.com/ORNL/ScalableWorkflow_VASP_Calculations. Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Nb and Ti. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance

By including a fraction of exact exchange (EXX), hybrid functionals reduce the self-interaction error in semilocal density functional theory (DFT) and thereby furnish a more accurate and reliable description of the underlying electronic structure in systems throughout biology, chemistry, physics, and materials science. However, the high computational cost associated with the evaluation of all required EXX quantities has limited the applicability of hybrid DFT in the treatment of large molecules and complex condensed-phase materials. To overcome this limitation, we describe a linear-scaling approach that utilizes a local representation of the occupied orbitals (e.g., maximally localized Wannier functions (MLWFs)) to exploit the sparsity in the real-space evaluation of the quantum mechanical exchange interaction in finite-gap systems. In this work, we present a detailed description of the theoretical and algorithmic advances required to perform MLWF-based ab initio molecular dynamics (AIMD) simulations of large-scale condensed-phase systems of interest at the hybrid DFT level. We focus our theoretical discussion on the integration of this approach into the framework of Car–Parrinello AIMD, and highlight the central role played by the MLWF-product potential (i.e., the solution of Poisson’s equation for each corresponding MLWF-product density) in the evaluation of the EXX energy and wave function forces. We then provide a comprehensive description of the exx algorithm implemented in the open-source Quantum ESPRESSO program, which employs a hybrid MPI/OpenMP parallelization scheme to efficiently utilize the high-performance computing (HPC) resources available on current- and next-generation supercomputer architectures. Furthermore, this is followed by a critical assessment of the accuracy and parallel performance (e.g., strong and weak scaling) of this approach when AIMD simulations of liquid water are performed in the canonical (NVT) ensemble. With access to HPC resources, we demonstrate that exx enables hybrid DFT-based AIMD simulations of condensed-phase systems containing 500–1000 atoms (e.g., (H₂O)₂₅₆) with a wall time cost that is comparable to that of semilocal DFT. In doing so, exx takes us one step closer to routinely performing AIMD simulations of complex and large-scale condensed-phase systems for sufficiently long time scales at the hybrid DFT level of theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Comparative energetics of the observed and simulated global circulation during the special observing periods of FGGE

Energetics of the observed and simulated global circulation are evaluated in the zonal spectral domain for the special observing periods of FGGE. The study utilizes GLA analyses of FGGE observational data and parallel simulation experiments. There are noticeable differences in energy transformations between the observation and simulation during SOP-1. These include the baroclinic conversion C(n) by the zonal mean motion and short-wave disturbances, and the nonlinear wave-wave interaction L(n) at the long and short waves. The energy transformations of the short-wave disturbances are much more intense in the simulated circulation than in the observation. However, good agreement is noted in the conversion and dissipation of kinetic energy in the large- and cyclone-wave range n = 1-10. Spectral distributions of global energy transformations at the long- and cyclone-wave range indicate that the SOP-2 simulation agrees more closely with the observed fields than the SOP-1 simulation. Other pertinent points of energetics diagnosis are also included in the discussion.

Kung, E. C.↗
NASA NTRS1986

Star of Lima - Overview and optical diagnostics of a barium Alfven critical velocity experiment

The Alfven critical velocity mechanism for ionization of a neutral gas streaming across the magnetic field has been demonstrated in laboratory experiments. In March 1983, two rocket-borne experiments with Ba and Sr tested the effect in the wall-less laboratory of space from Punto Lobos, Peru, near 430 km altitude. 'Star of Lima' used a conical Ba shaped charge aimed at an instrument payload about 2 km away. Because of rocket overperformance the detonation occurred in partial sunlight, so that less than 21.6 percent of the ionizing UV was present. Particle and field measurements indicate the production of hot electrons and waves in the energy and frequency range that are respectively predicted to produce a cascade of ionization by the Alfven mechanism. However, the ionization fluxes and wave energy density did not reach cascade levels, and optical observations indicate that only 2.5 to 5 x 10 to the 20th Ba ions were produced. A substantial portion and perhaps all of the ionization could have been produced by solar UV. The failure of the Alfven process in this experiment is not well understood.

Wescott, E. M.↗
DOE OSTI2022

Design and demonstration of an economical SRF structure for Continuous Wave (CW), high-energy, Megawatt-class beams

Due to its very high RF-to-beam efficiency, superconducting radiofrequency (SRF) cavities have become the technology of choice for the construction of large linear accelerators (linacs) for basic science applications (examples, ESS and PIP-II). The technology is also attractive for high volume industrial applications such as electron irradiation processing of wastewater and flue gas. However, SRF’s current reliance on liquid helium for cryogenic cooling introduces infrastructural and safety challenges for use in industrial settings. Cryocooler conduction-cooling is a recently developed novel technique for operating SRF cavities without requiring liquid helium. This project aims for technical design and economic assessment of a medium energy, high average power e-beam linac based on the conduction-cooled SRF technique for high volume irradiation treatment of wastewater. The goals of this project are (1) to design a medium energy (10 MeV), high average power (1 MW) electron beam accelerator around the cryocooler conduction-cooled SRF cavity technology, (2) demonstrate the required accelerating voltage on a prototype cavity, and (3) build a cost-model to evaluate capital and operating expense of the accelerator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗