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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Real-space formulation of the stress tensor for O (N) density functional theory: Application to high temperature calculations

We present an accurate and efficient real-space formulation of the Hellmann–Feynman stress tensor for O (N) Kohn–Sham density functional theory (DFT). While applicable at any temperature, the formulation is most efficient at high temperature where the Fermi–Dirac distribution becomes smoother and the density matrix becomes correspondingly more localized. We first rewrite the orbital-dependent stress tensor for real-space DFT in terms of the density matrix, thereby making it amenable to O (N) methods. We then describe its evaluation within the O (N) infinite-cell Clenshaw–Curtis Spectral Quadrature (SQ) method, a technique that is applicable to metallic and insulating systems, is highly parallelizable, becomes increasingly efficient with increasing temperature, and provides results corresponding to the infinite crystal without the need of Brillouin zone integration. We demonstrate systematic convergence of the resulting formulation with respect to SQ parameters to exact diagonalization results and show convergence with respect to mesh size to the established plane wave results. Here, we employ the new formulation to compute the viscosity of hydrogen at 10 6 K from Kohn–Sham quantum molecular dynamics, where we find agreement with previous more approximate orbital-free density functional methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Polaron catastrophe within quantum acoustics

The quantum acoustic framework has recently emerged as a nonperturbative, coherent approach to electron–lattice interactions, uncovering rich physics often obscured by perturbative methods with incoherent scattering events. Here, we model the strongly coupled dynamics of electrons and acoustic lattice vibrations within this framework, representing lattice vibrations as coherent states and electrons as quantum wave packets, in a manner distinctively different from tight-binding or discrete hopping-based approaches. We derive and numerically implement electron backaction on the lattice, providing both visual and quantitative insights into electron wave packet evolution and the formation of acoustic polarons. We investigate polaron binding energies across varying material parameters and compute key observables—including mean square displacement, kinetic energy, potential energy, and vibrational energy—over time. Our findings reveal the conditions that favor polaron formation, which is enhanced by low temperatures, high deformation potential constants, slow sound velocities, and high effective masses. Additionally, we explore the impact of external electric and magnetic fields, showing that while polaron formation remains robust under moderate fields, it is weakly suppressed at higher field strengths. These results deepen our understanding of polaron dynamics and pave the way for future studies into nontrivial transport behavior in quantum materials.

Science & Technology - Other Topics↗
DOE OSTI2017

Variational Calculation of the Ground State of Closed-Shell Nuclei Up to $A$ = 40

Variational calculations of ground-state properties of 4He, 16O and 40Ca are carried out employing realistic phenomenological two- and three-nucleon potentials. The trial wave function includes twoand three-body correlations acting on a product of single-particle determinants. Expectation values are evaluated with a cluster expansion for the spin-isospin dependent correlations considering up to five-body cluster terms. The optimal wave function is obtained by minimizing the energy expectation value over a set of up to 20 parameters by means of a nonlinear optimization library. We present results for the binding energy, charge radius, point density, single-nucleon momentum distribution, charge form factor, and Coulomb sum rule. We find that the employed three-nucleon interaction becomes repulsive for A ≥ 16. In 16O the inclusion of such a force provides a better description of the properties of the nucleus. In 40Ca instead, the repulsive behavior of the three-body interaction fails to reproduce experimental data for the charge radius and the charge form factor. We find that the high-momentum region of the momentum distributions, determined by the short-range terms of nuclear correlations, exhibit a universal behavior independent of the particular nucleus. The comparison of the Coulomb sum rules for 4He, 16O, and 40Ca reported in this work will help elucidate in-medium modifications of the nucleon form factors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Universal features of 2 → N scattering in QCD and gravity from shockwave collisions

A remarkable double-copy relation of Einstein gravity to QCD in Regge asymptotics is Γ μ ν = 1 2 C μ C ν − 1 2 N μ N ν , where Γ μ ν is the gravitational Lipatov vertex in the 2 → 3 graviton scattering amplitude, C μ its Yang-Mills counterpart, and N μ the QED bremsstrahlung vertex. In QCD, the Lipatov vertex is a fundamental building block of the BFKL equation describing the 2 → N scattering of gluons at high energies. Likewise, the gravitational Lipatov vertex is a key ingredient in a 2D effective field theory framework describing trans-Planckian 2 → N graviton scattering. We construct a quantitative correspondence between a semiclassical Yang-Mills framework for radiation in gluon shockwave collisions and its counterpart in general relativity. In particular, we demonstrate the Lipatov double copy in a dilute-dilute approximation corresponding to R S , L , R S , H ≪ b , where R S , L , R S , H are the respective emergent Schwarzchild radii generated in shockwave collisions and b is the impact parameter. We outline extensions of the correspondence developed here to the dilute-dense computation of gravitational wave radiation in the close vicinity of one of the black holes, the construction of graviton propagators in the shockwave background, and a renormalization group approach to compute 2 → N amplitudes that incorporates graviton Reggeization and coherent graviton multiple scattering. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Dynamical Slowing-Down in an Ultrafast Photoinduced Phase Transition

Complex systems, which consist of a large number of interacting constituents, often exhibit universal behavior near a phase transition. A slowdown of certain dynamical observables is one such recurring feature found in a vast array of contexts. This phenomenon, known as critical slowing-down, is well studied mostly in thermodynamic phase transitions. However, it is less understood in highly nonequilibrium settings, where the time it takes to traverse the phase boundary becomes comparable to the timescale of dynamical fluctuations. Using transient optical spectroscopy and femtosecond electron diffraction, we studied a photoinduced transition of a model charge-density-wave (CDW) compound LaTe 3 . We observed that it takes the longest time to suppress the order parameter at the threshold photoexcitation density, where the CDW transiently vanishes. Here, this finding can be captured by generalizing the time-dependent Landau theory to a system far from equilibrium. The experimental observation and theoretical understanding of dynamical slowing-down may offer insight into other general principles behind nonequilibrium phase transitions in many-body systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Demonstration of Thermoacoustic Power Sensor

The goal of this project is to develop and demonstrate a thermoacoustic power sensor (TAPS) for Sodium-cooled Fast Reactor (SFR), with potential application also envisioned to other nuclear technologies such as Lead-Cooled Fast Reactor (LFR), Molten Salt Reactor (MSR), in addition to Light Water Reactors (LWRs). The project was led by Westinghouse Electric Company, LLC (Westinghouse) and carried out in collaboration with Argonne National Laboratory (ANL) and the University of Pittsburgh. A TAPS is a passive (self-powered), non-invasive (wireless) sensor envisioned for measuring key parameters, such as local temperature and neutron flux, in a nuclear reactor core. The sensor generates pressure waves (i.e., sound waves) with a frequency and amplitude dependent upon nuclear operating conditions (coolant temperature or power changes). The acoustic waves are able to travel through the core and associated structures, and reach to the detector network placed outside of the reactor vessel. These detectors require a very small amount of power which, during loss of power events, can be provided for example by harvesting gamma radiation energy, thus resulting in a monitoring system that can function both during normal operation and during loss of power events.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

In-Sodium Testing of a Prototype Thermoacoustic Power Sensor for Sodium-Cooled Fast Reactors

The ultimate goal of this project is to develop and demonstrate a thermoacoustic power sensor (TAPS) for Sodium-Cooled Fast Reactors (SFRs), with potential application also envisioned to other nuclear technologies such as Lead-Cooled Fast Reactors (LFRs), Molten Salt Reactors (MSRs), in addition to Light Water Reactors (LWRs). The project was led by Westinghouse Electric Company, LLC (Westinghouse) and carried out in collaboration with Argonne National Laboratory (ANL) and the University of Pittsburgh. A TAPS is a passive (self-powered), non-invasive (wireless) sensor envisioned for measuring key parameters, such as local temperature and neutron flux, in a nuclear reactor core. The sensor generates pressure waves (i.e., sound waves) with a frequency and amplitude dependent upon nuclear operating conditions (coolant temperature or power changes). The acoustic waves are able to travel through the core and associated structures, and reach to the sensor network placed outside and/or inside of the reactor vessel. These sensors require a very small amount of power which, during loss of power events, can be provided, for example, by harvesting gamma radiation energy, thus resulting in a monitoring system that can function both during normal operation and during loss of power events. Westinghouse and the University of Pittsburgh designed and fabricated TAPS prototypes for Argonne National Laboratory (ANL) to carry out in-sodium testing to evaluate the effects of sodium on the TAPS and the performance of the TAPS technique in sodium. Argonne received a TAPS prototype from Westinghouse, and the prototype was modified such that it can be installed into a test vessel and function in sodium at elevated temperature without potentially leaking. A water mockup test apparatus was constructed to validate proper working of the prototype. An instrumentation and control (I&C) system, running on the National Instruments (NI) LabView platform, was developed to: 1) operate both the water mockup test and the in-sodium test facility; and 2) process and analyze the received acoustic signals from an array of accelerometers and the Argonne sodium-submersible high-temperature acoustic sensor. The prototype was successfully tested in a water bath at different temperatures. Water mockup tests demonstrated that the TAPS prototype is working properly and its resonance frequency changes linearly with the coolant (water) temperature. A TAPS test apparatus was constructed and integrated with the upgraded Under-Sodium Viewing (USV) sodium test facility. The integrated USV-TAPS sodium test facility has been operational. The TAPS prototype and a high-temperature sodium-submersible acoustic sensor (SSAS) developed by Argonne were both installed inside the TAPS test vessel. Being operated within argon cover gas under ambient conditions, the TAPS prototype demonstrated that it was functioning properly with a resonance frequency at 1407.2 Hz, which was successfully detected by the accelerometers mounted on the external wall of the vessel and the high-temperature SSAS installed inside the vessel. After successfully transferring sodium into the vessel, in-sodium tests of the prototype were conducted. Tests of the TAPS prototype demonstrated that the resonance frequency of the TAPS changes linearly with respect to the temperature difference between the interior of the TAPS and bulk sodium. The early tests showed that the TAPS prototype could not establish a continuous and consistent resonance in sodium. The resonance diminished before the prototype reached its operating temperature. A signal postprocessor was added to the DAQ module latterly to isolate interferences, enhance signal conditioning, improve peak detection, and generate resonance frequency versus temperature plots. After testing in molten sodium and immersion at higher temperature for several weeks, the TAPS prototype was able to establish a continuous resonance. Performance evaluation of the TAPS prototype was then conducted in sodium. The tests included the investigation of 1) the effects of the temperature difference between the TAPS and bulk sodium, 2) the effects of sodium flowrate; and 3) the performance of the different sensor-receiver systems positioned inside or outside the vessel. Results of a test demonstrated that, with limited sodium circulation, a continuous and consistent resonance of the TAPS prototype was established occasionally. The tests also demonstrated that, because of the nature of detection principles and mounting methods, the high temperature SSAS is more affected by acoustic noise, while accelerometers are more affected by vibrations, in the test environment. It is unknown why the TAPS prototype only occasionally established a continuous and consistent resonance when the TAPS temperature reached its operating temperature in molten sodium, and why it ultimately failed to resonate at all. A failure modes assessment was conducted and a few potential causes of failure were identified. Different post in-sodium tests were conducted to obtain additional information potentially relevant to the cause of the failure. Nondestructive evaluation techniques are suggested to examine the internal integrity as well as the gas mixture of the prototype. If they prove inconclusive, the prototype should be cut open to conduct a thorough inspection of its internal integrity and determine the state of the gas mixture.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Performance Characterization of a Natural Gas–Air Rotating Detonation Engine

An experimental study of a rotating detonation engine (RDE) operating with natural gas and air at elevated chamber pressures and air preheat temperatures was conducted to quantify its performance at conditions representative of land-based power generation gas turbine engines. Here, the thrust produced by the combustor was measured to characterize its work output potential. High-frequency pressure transducers and broadband chemiluminescence measurements of the flame provided information about the wave structure and dynamics. Analysis of common performance metrics demonstrated the necessity of normalizing any RDE performance parameter by the driving system potential, typically the reactant manifold pressure. Application of a thermodynamic performance model to a generic RDE identified the area ratio between the RDE exhaust and injection throats as the primary parameter affecting delivered pressure gain. The model was further applied to draw comparison with experimental measurements of net pressure gain for identical flow conditions. Only one of the two tested injector configurations followed the predicted trends, suggesting that performance of the second was governed by physical processes other than the reactant thermodynamics. Although an absolute pressure gain was not demonstrated, it is promising that the natural gas–air RDE delivered up to 90% of the theoretical performance.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1972

Gyrosynchrotron radiation and its transfer in a magnetoactive plasma.

Gyrosynchrotron radiation fields from mildly relativistic electrons in a magnetoactive plasma are asymptotically calculated by using the Green tensor and the Fourier transformation. These fields consist of the two components which correspond to the ordinary and extraordinary modes. Taking into account these fields, the emissivities and the absorption coefficients from an arbitrary distribution of electrons are calculated in order to discuss the intensity, spectrum, and polarization of gyrosynchrotron radiation. In general, the transfer of electromagnetic energy takes place along a direction different from that of the wave normal since the radiation fields have a nonvanishing component along the direction of the wave normal. A consideration is given on the problem of radiative transfer in relation to the Stokes parameters.

Sakurai, K.↗
NASA NTRS1973

ATS-5 millimeter wave propagation measurements

Long term experimental measurements to determine the propagation characteristics of 15 and 32 GHz earth-space links and to evaluate performance characteristics of operational millimeter wave systems are reported. The ATS 5 millimeter wave experimental link experienced attenuation and fading characteristics as a function of rainfall rate and other meteorological parameters. A method of site selection for the lowest attenuation rainfall rate improved reception tremendously.

Ippolito, L. J.↗
NASA NTRS1975

On the nature of the radial and cross track errors for artificial earth satellites

The analysis of the radial and cross track errors of artificial earth satellites is discussed in terms of the interference of two one-dimensional celestial mechanical wave trains. Resulting equations for these tracking errors describe the behavior of the uncertainties in the orbital parameters as oscillatory in nature, with a rapidly oscillating term, which is a function of the sum of the observed and computed orbital frequencies, modulated in amplitude by a slowly varying oscillation. This latter term is itself a function of either the difference between these orbital frequencies or between the values of the computed and observed right ascensions, depending upon whether it is the radial or cross track case under consideration. These results indicate that the cross track calculation describes the behavior of uncertainties in the right ascension of the ascending node and the inclination, while the radial calculation gives information on uncertainties in the semi-major axis, the eccentricity, and the argument of perigee. In addition, expressions for the radial and cross track oscillatory frequencies are obtained in terms of the orbital frequencies of the satellites. Data show that the time average of the radial and cross track errors in any case, will both approach zero.

Bonavito, N. L.↗
NASA NTRS1975

Calculation of arbitrary-order diffraction efficiencies of thick gratings with arbitrary grating shape

A method for calculating arbitrary-order diffraction efficiencies of thick, lossless transmission gratings with arbitrary periodic grating shapes has been developed. A Fourier-series representation of the grating is employed, along with a coupled-mode theory of diffraction. For illustration, numerical values of the diffraction efficiencies at the first three Bragg angles are calculated for sinusoidal, square-wave, triangular, and saw-tooth gratings. Numerical results for the same grating shapes with the same parameters are also calculated for comparison, by extending Burckhardt's numerical method for analyzing thick sinusoidal gratings. The comparison shows that the coupled-mode theory provides results with relative computational ease and results that are in agreement with calculations obtained by extending the more-rigorous Burckhardt theory to nonsinusoidal grating shapes and to higher-order Bragg angles.

Su, S. F.↗
NASA NTRS1974

Theoretical frameworks for testing relativistic gravity. 5: Post-Newtonian limit of Rosen's theory

The post-Newtonian limit of Rosen's theory of gravity is evaluated and is shown to be identical to that of general relativity, except for the PPN parameter alpha sub 2, which is related to the difference in propagation speeds for gravitational and electromagnetic waves. Both the value of alpha sub 2 and the value of the Newtonian gravitational constant depend on the present cosmological structure of the Universe. If the cosmological structure has a specific but presumably special form, the Newtonian gravitational constant assumes its current value, alpha sub 2 is zero, the post-Newtonian limit of Rosen's theory is identical to that of general relativity--and standard solar system experiments cannot distinguish between the two theories.

Lee, D. L.↗
NASA NTRS1976

Gravitational-wave bursts from the nuclei of distant galaxies and quasars - Proposal for detection using Doppler tracking of interplanetary spacecraft

It is argued that the collapse which forms the supermassive black holes that are likely to exist in the nuclei of many quasars and galaxies, and collisions between those holes, should produce strong broadband bursts of gravitational waves. The mean time between such gravitational-wave bursts at earth is analyzed in terms of the present Hubble expansion rate, the present deceleration parameter of the universe, the redshift z = 2.5 (at which most of the bursts are assumed to have been generated), the present number density of 'centers' where the bursts originated, the mean number of bursts generated in each center during its active life, and the speed of light. The analysis shows that the range from one week to 300 years is reasonable for the time between bursts, although it is admitted that hardly any bursts at all is also reasonable. Expected characteristics of the bursts are deduced, and it is shown that the best detector for these bursts will probably be Doppler tracking of one or more interplanetary spacecraft.

Thorne, K. S.↗
NASA NTRS1976

Theoretical frameworks for testing relativistic gravity. V - Post-Newtonian limit of Rosen's theory

The post-Newtonian limit of Rosen's theory of gravity is evaluated and is shown to be identical to that of general relativity, except for the post-Newtonian parameter alpha sub 2 (which is related to the difference in propagation speeds for gravitational and electromagnetic waves). Both the value of alpha sub 2 and the value of the Newtonian gravitational constant depend on the present cosmological structure of the Universe. If the cosmological structure has a specific (but presumably special) form, the Newtonian gravitational constant assumes its current value, alpha sub 2 is zero, the post-Newtonian limit of Rosen's theory is identical to that of general relativity - and standard solar system experiments cannot distinguish between the two theories.

Lee, D. L.↗
NASA NTRS1980

Multiple scattering effects on wave propagation due to rain

The paper examines the multiple scattering of microwaves due to rain and the resulting incoherent intensity for a plane wave incident on a plane-parallel rain region. General formulations of the transfer equation using Stokes parameters are presented, and an extinction matrix which takes into account depolarization effects and nonspherical droplet shape is introduced. Scattering characteristics are calculated for spherical droplets using the Mie solution and the Laws-Parsons distributions. The ratios of incoherent to coherent received powers are calculated at 30 GHz for rain rates of 12.5, 50, 100, and 150 mm/h, rain thicknesses of 3 km and 10 km, and fields of view of 1.5, 5, and 15 deg.

Ishimaru, A.↗
NASA NTRS1982

Multispectral Linear Array (MLA) science and technology program

A Goddard Space Flight Center program of science studies and technology development to provide the basis for future earth observation sensors employing multispectral linear array (MLA) technology is described. Establishment of MLA performance parameters and performance modeling make up the primary science activities. Critical technologies being developed include: short-wave infrared (SWIR) detector arrays, visible/and near infrared detector arrays, and passive cryogenic coolers. Supporting activities include: test and field instrument development, focal plane research and assessment laboratory, system simulation laboratory, calibration sources and techniques, optics, and thermal infrared arrays.

Barnes, W. L.↗
NASA NTRS1983

Capabilities and limitations of existing MST radars: Colorado wind profilers

The Wave Propagation Laboratory is developing a ground-based remote sensing system called PROFILER to measure troposphere parameters currently measured in operational meteorology by radiosondes. The prototype PROFILER uses two radars for wind sounding: a 6-m radar located at Platteville, Colorado, and a 33-cm radar located at Denver's Stapleton International Airport. In addition, a network of three 6-m wind-profiling radars is being installed in Colorado, and a fourth site is planned. The location of the five radars, their characteristics, and their limitations are described.

Strauch, R. G.↗

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