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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Lidar Applications in Atmospheric Dynamics: Measurements of Wind, Moisture and Boundary Layer Evolution

A large array of state-of-the-art ground-based and airborne remote and in-situ sensors were deployed during the International H2O Project (THOP), a field experiment that took place over the Southern Great Plains (SGP) of the United States from 13 May to 30 June 2002. These instruments provided extensive measurements of water vapor mixing ratio in order to better understand the influence of its variability on convection and on the skill of quantitative precipitation prediction (Weckwerth et all, 2004). Among the instrument deployed were ground based lidars from NASA/GSFC that included the Scanning Raman Lidar (SRL), the Goddard Laboratory for Observing Winds (GLOW), and the Holographic Airborne Rotating Lidar Instrument Experiment (HARLIE). A brief description of the three lidars is given below. This study presents ground-based measurements of wind, boundary layer structure and water vapor mixing ratio measurements observed by three co-located lidars during MOP at the MOP ground profiling site in the Oklahoma Panhandle (hereafter referred as Homestead). This presentation will focus on the evolution and variability of moisture and wind in the boundary layer when frontal and/or convergence boundaries (e.g. bores, dry lines, thunderstorm outflows etc) were observed.

Demoz, Belay↗
DOE OSTI2022

The essential character of the neutrino mechanism of core-collapse supernova explosions

Abstract Calibrating with detailed 2D core-collapse supernova (CCSN) simulations, we derive a simple CCSN explosion condition based solely upon the terminal density profiles of state-of-the-art stellar evolution calculations of the progenitor massive stars. This condition captures the vast majority of the behaviour of the one hundred 2D state-of-the-art models we performed to gauge its usefulness. The goal is to predict, without resort to detailed simulation, the explodability of a given massive star. We find that the simple maximum fractional ram pressure jump discriminant we define works well ∼90 per cent of the time and we speculate on the origin of the few false positives and false negatives we witness. The maximum ram pressure jump generally occurs at the time of accretion of the silicon/oxygen interface, but not always. Our results depend upon the fidelity with which the current implementation of our code F ornax adheres to Nature and issues concerning the neutrino–matter interaction, the nuclear equation of state, the possible effects of neutrino oscillations, grid resolution, the possible role of rotation and magnetic fields, and the accuracy of the numerical algorithms employed remain to be resolved. Nevertheless, the explodability condition we obtain is simple to implement, shows promise that it might be further generalized while still employing data from only the unstable Chandrasekhar progenitors, and is a more credible and robust simple explosion predictor than can currently be found in the literature.

Astronomy & Astrophysics↗
NASA NTRS1985

Molecular cloud evolution and star formation

The present state of knowledge of the relationship between molecular clouds and young stars is reviewed. The determination of physical parameters from molecular line observations is summarized, and evidence for fragmentation of molecular clouds is discussed. Hierarchical fragmentation is reviewed, minimum fragment scales are derived, and the stability against fragmentation of both spherically and anisotropically collapsing clouds is discussed. Observational evidence for high-velocity flows in clouds is summarized, and the effects of winds from pre-main sequence stars on molecular gas are discussed. The triggering of cloud collapse by enhanced pressure is addressed, as is the formation of dense shells by spherical outflows and their subsequent breakup. A model for low-mass star formation is presented, and constraints on star formation from the initial mass function are examined. The properties of giant molecular clouds and massive star formation are described. The implications of magnetic fields for cloud evolution and star formation are addressed.

Silk, J.↗
DOE OSTI2017

Triple junction drag effects during topological changes in the evolution of polycrystalline microstructures

Experiments, theory and atomistic simulations show that finite triple junction mobility results in non-equilibrium triple junction angles in evolving polycrystalline systems. These angles have been predicted and verified for cases where grain boundary migration is steady-state. Yet, steady-state never occurs during the evolution of polycrystalline microstructures as a result of changing grain size and topological events (e.g., grain face/edge switching - “T 1 ” process, or grain disappearance “T 2 ” or “T 3 ” processes). We examine the non-steady evolution of the triple junction angle in the vicinity of topological events and show that large deviations from equilibrium and/or steady-state angles occur. We analyze $\tau$ the characteristic relaxation time of triple junction angles τ by consideration of a pair of topological events, beginning from steady-state migration. Using numerical results and theoretical analysis we predict how the triple junction angle varies with time and how τ varies with triple junction mobility. We argue that it is precisely those cases where grain boundaries are moving quickly (e.g., topological process in nanocrystalline materials), that the classical steady-state prediction of the triple junction angle about finite triple junction mobility is inapplicable and may only be applied qualitatively.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Toward a Theory of the Evolution of Perturbations of the Dark Matter Density in the Very Early Universe

We investigate the influence of primordial baryonic matter in the form of cosmic plasma on the evolution of perturbations in dark matter considered as a gas of weakly interacting massive particles (WIMPs). Nonstationary equations of state of the WIMP gas for both its ideal model and its real model are proposed along with the state parameter of the gas in the form of a power-law dependence on time. A description of the appearance in the WIMP gas of seed perturbations is given which takes account of the influence of the primordial cosmic plasma and the variability of the state parameter of dark matter. Regimes of the evolution of perturbations of non-baryonic matter are found, describing their growth for various characteristics of the internal energy of the WIMP gas. The size and mass of the seed perturbations in the WIMP gas are estimated.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Wave function methods for canonical ensemble thermal averages in correlated many-fermion systems

We present a wave function representation for the canonical ensemble thermal density matrix by projecting the thermofield double state against the desired number of particles. Furthermore, the resulting canonical thermal state obeys an imaginary-time evolution equation. Starting with the mean-field approximation, where the canonical thermal state becomes an antisymmetrized geminal power (AGP) wave function, we explore two different schemes to add correlation: by number-projecting a correlated grand-canonical thermal state and by adding correlation to the number-projected mean-field state. As benchmark examples, we use number-projected configuration interaction and an AGP-based perturbation theory to study the hydrogen molecule in a minimal basis and the six-site Hubbard model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Turbulence decay in the density-stratified intracluster medium

Abstract Turbulence evolution in a density-stratified medium differs from that of homogeneous isotropic turbulence described by the Kolmogorov picture. We evaluate the degree of this effect in the intracluster medium (ICM) with hydrodynamical simulations. We find that the buoyancy effect induced by ICM density stratification introduces qualitative changes to the turbulence energy evolution, morphology, and the density fluctuation–turbulence Mach number relation, and likely explains the radial dependence of the ICM turbulence amplitude as found previously in cosmological simulations. A new channel of energy flow between the kinetic and the potential energy is opened up by buoyancy. When the gravitational potential is kept constant with time, this energy flow leaves oscillations to the energy evolution, and leads to a balanced state of the two energies where both asymptote to power-law time evolution with slopes shallower than that for the turbulence kinetic energy of homogeneous isotropic turbulence. We discuss that the energy evolution can differ more significantly from that of homogeneous isotropic turbulence when there is a time variation of the gravitational potential. Morphologically, ICM turbulence can show a layered vertical structure and large horizontal vortical eddies in the central regions with the greatest density stratification. In addition, we find that the coefficient in the linear density fluctuation–turbulence Mach number relation caused by density stratification is in general a variable with position and time.

Shi, Xun↗
DOE OSTI2021

Microstructural and Micro-Chemical Evolutions in the Irradiated UCO Fuel Kernels of AGR-1 and AGR-2 TRISO Fuel Particles

AGR-1 and AGR-2 TRISO fuel particles were fabricated with slightly different fuel kernel chemical compositions, modified fabrication processes, different fuel kernel diameters, and changed 235U enrichments. To correlate those differences with the fuel kernel responses to neutron irradiations in terms of irradiated fuel microstructure, fission products chemical and physical states, and fission gas bubble evolutions, extensive microstructural and analytical characterizations were conducted. The studies used a state of art transmission electron microscopy (TEM) equipped with Energy-dispersive X-ray spectroscopy (EDS) of four silicon solid-state detectors which have super sensitivity and fast speed. The TEM specimens were prepared from selected AGR-1 and AGR-2 irradiated fuel kernels exposed to safety testing after irradiation. The particles were chosen to represent a representative irradiation conditions with a fuel burnup within the range from 10.8 to 18.6% FIMA, and the time-average volume-average temperatures vary from 1070 to 1287°C. The 235U enrichment was 19.74 wt.% for the AGR1 fuel kernels and 14.03 wt.% for the AGR-2 fuel kernels. The TEM results show that there were significant microstructural reconstructions in the irradiated fuel kernels for both the AGR-1 and AGR-2 fuels. There are four major phases including fuel matrix of UO2 and UC, U2RuC2, and UMoC2 in the irradiated AGR2 fuel kernel. Zr and Nb form solid solution in the UC phase. UMoC2 phase often shows a detectable concentration of Tc. Pd was found to mainly locate in the buffer layer or to be associated with fission gas bubble within the UMoC2 phase. The EDS maps qualitatively show that the rare-earth fission products (Nb, et al.) preferentially reside in the UO2 phase. In contrast, in the irradiated AGR1 fuel kernel, no U2RuC2 or UMoC2 precipitates were positively identified. Instead, there is a high number of rod-shape precipitates enriched with Ru, Tc, Rh, and Pd observed in the fuel kernel center and edge zone. The difference of microstructural and micro-chemical evolutions in irradiated fuel kernels between the AGR-1 and AGR-2 TRISO fuel particle may result from a combined factor of irradiation temperature, fuel geometry and chemical composition. However, the irradiation temperature probably play a more deterministic role. Limited electron energy loss spectroscopy (EELS) characterizations on the AGR2 fuel kernel show that there is nearly no carbon in the UO2 phase while a small fraction of oxygen was detected in the UC/UMoC2 phase.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Unraveling Morphology and Chemistry Dynamics in Fluoroethylene Carbonate Generated Silicon Anode Solid Electrolyte Interphase Across Delithiated and Lithiated States: Relative Cycling Stability Enabled by an Elastomeric Polymer Matrix

The silicon solid electrolyte interphase (SEI) faces cyclical cracking and reconstruction due to the ∼350% volume expansion. Understanding the SEI dynamic morphology and chemistry evolution from delithiated to lithiated states is thereby paramount to engineering a stable Si anode. Fluoroethylene carbonate (FEC) is a preferred additive with widely demonstrated enhancement of the Si cycling. Thus, insights into the dynamics of the FEC-SEI may provide hints toward engineering the Si interface. Herein, complementary ATR-FTIR, AFM, tip IR, and XPS probing reveal the presence of an elastomeric polycarbonate-like matrix in the FEC-generated SEI which is absent from the FEC-free SEI. Adding FEC to the baseline 1 M LiPF 6 in EC:EMC (1:1) electrolyte promotes formation of a thinner and more conformal SEI, and subdues morphology and chemistry changes between consecutive half-cycles. From AFM, morphological stabilization of the FEC-SEI occurs earlier. Furthermore, conventional SEI biproducts such as Li 2 CO 3 and LiEDC appear in reduced quantities in the FEC-SEI implying a reduced quantity of Li-consuming species. The thin polymeric FEC-SEI enables deeper (de)lithiation of silicon. In conclusion, the enhanced mechanical compliance, chemical invariance, and reduced Li inventory consumption of the FEC-SEI are logically the key features underlying the Si cycling enhancement by FEC.

25 ENERGY STORAGE↗
DOE OSTI2023

Out-of-equilibrium Majorana zero modes in interacting Kitaev chains

Here, we employ a time-dependent real-space local density-of-states method to study the movement and fusion of Majorana zero modes in the one-dimensional interacting Kitaev model, based on the time evolution of many-body states. We analyze the dynamics and both fusion channels of Majoranas using time-dependent potentials, either creating walls or wells. For fast moving Majoranas, we unveil nonequilibrium signatures of the “strong-zero-mode” operator (quasiparity degeneracy in the full spectrum) and its breakdown in the presence of repulsive Coulomb interactions. Focusing on forming a full electron after fusion, we also discuss the upper and lower limits on the Majorana speed needed to reduce nonadiabatic effects and to avoid poisoning due to decoherence.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Stages of Mechanical Alloying in Systems with Different Solubility Cu–Zn and Au–Co in the Case of Cold and Low-Temperature Deformation by Torsion Under Pressure

Methods of X-ray structural analysis and durometry, as well as electron microscopy were used to identify the stages of mechanical alloying in the case of torsion under high quasi-hydrostatic pressure on Bridgman anvils in the Cu–Zn and Au–Co systems that have different mutual solubility and enthalpy of mixing. It was established that decrease in temperature of mechanical alloying from room temperature (cold deformation) to the boiling temperature of liquid nitrogen (80 К, low-temperature deformation) has a considerable impact on mechanical alloying at different processing stages and on characteristics of an alloy synthesized by deformation. In the Cu–Zn system, when the ratio of powder components corresponds to the solid solution of α-brass in equilibrium state, as deformation increased, one observed consecutive change of evolution stages of the powder mix to the state of copper-based solid solution. At the same time, when processing temperature decreases, larger deformation is required to achieve analogous structural changes. In the Au–Co system characterized by absence of solubility at room and lower temperatures, one also observes the stages of powder mix evolution with the increase in deformation. However, complete dissolution occurs in the case of processing at 80 К, while larger deformation is required in the case of increase in mechanical alloying temperature. The paper examines possible mechanisms of solid solution formation in the system of components that are mutually insoluble under equilibrium conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Adaptive variational ground state preparation for spin-1 models on qubit-based architectures

Here, we apply the adaptive variational quantum imaginary time evolution (AVQITE) method to prepare ground states of one-dimensional spin S = 1 models. We compare different spin-to-qubit encodings (standard binary, Gray, unary, and multiplet) with regard to the performance and quantum resource cost of the algorithm. Using state-vector simulations, we study two well-known spin-1 models: the Blume-Capel model of transverse-field Ising spins with single-ion anisotropy, and the XXZ model with single-ion anisotropy. We consider system sizes of up to 20 qubits, which corresponds to spin-1 chains up to length 10. We determine the dependence of the number of CNOT gates in the AVQITE state preparation circuit on the encoding, the initial state, and the choice of operator pool in the adaptive method. Independent of the choice of encoding, we find that the CNOT gate count scales cubically with the number of spins for the Blume-Capel model and quartically for the anisotropic XXZ model. However, the multiplet and Gray encodings present smaller prefactors in the scaling relations. These results provide useful insights for the implementation of AVQITE on quantum hardware.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Dielectric Spectroscopy of Strongly Correlated Electronic States of Vanadium Dioxide

The thermal evolution of the conductivity of a VO{sub 2} film and database-obtained band gap E{sub g} of film nanocrystallites is traced in the temperature range of –196°C < T < 100°C (77 K < T < 273 K); the level position of donor impurity centers is determined to be E{sub d} = 0.04 eV. It is shown that energy E{sub g} decreases from 0.8 to ∼0 eV with an increase in temperature in the range of 273 K < T < 300 K, which is caused by the narrowing of the energy gap due to correlation effects and considered as the temperature-extended Mott “insulator–metal” electron phase transition with the monoclinic lattice symmetry retained. The subsequent jump in the symmetry from monoclinic to tetragonal with a further increase in temperature is considered as the Peierls structural phase transition, the temperature of which is in the vicinity of 340 K and determined by the size effects, nonstoichiometry of VO{sub 2} film nanocrystallites, and degree of their adhesion to the substrate.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1979

Status of the Space Telescope project in the United States

A general description of the evolution of the Large Space Telescope project is given, including mirror construction, interface requirements, and the review cycle for the scientific instruments. The anticipated participation of ESA scientists through the means of the Science Institute is discussed.

Odell, C. R.↗
DOE OSTI2025

Ground state energy and magnetization curve of a frustrated magnetic system from real-time evolution on a digital quantum processor

Models of interacting many-body quantum systems that may realize new exotic phases of matter, notably quantum spin liquids, are challenging to study using even state-of-the-art classical methods such as tensor network simulations. Quantum computing provides a promising route for overcoming these difficulties to find ground states, dynamics, and more. In this paper, we argue that recently developed hybrid quantum-classical algorithms based on real-time evolution are promising methods for solving a particularly important model in the search for spin liquids, the antiferromagnetic Heisenberg model on the two-dimensional kagome lattice. We show how to construct efficient quantum circuits to implement time evolution for the model and to evaluate key observables on the quantum computer, and we argue that the method has favorable scaling with increasing system size. We then restrict to a 12-spin star plaquette from the kagome lattice and a related 8-spin system, and we give an empirical demonstration on these small systems that the hybrid algorithms can efficiently find the ground state energy and the magnetization curve. For these demonstrations, we use four levels of approximation: exact state vectors, exact state vectors with statistical noise from sampling, noisy classical emulators, and (for the 8-spin system only) real quantum hardware, specifically the Quantinuum H1-1 processor; for the noisy simulations and hardware demonstration, we also employ error mitigation strategies based on the symmetries of the Hamiltonian. Our results strongly suggest that these hybrid algorithms present a promising direction for studying quantum spin liquids and more generally for resolving important unsolved problems in condensed matter theory and beyond.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Nature of S-States in the Oxygen-Evolving Complex Resolved by High-Energy Resolution Fluorescence Detected X-ray Absorption Spectroscopy

Photosystem II, the water splitting enzyme of photosynthesis, utilizes the energy of sunlight to drive the four-electron oxidation of water to dioxygen at the oxygen-evolving complex (OEC). The OEC harbors a Mn 4 CaO 5 cluster that cycles through five oxidation states S i (i = 0–4). The S 3 state is the last metastable state before the O 2 evolution. Its electronic structure and nature of the S 2 → S 3 transition are key topics of persisting controversy. Most spectroscopic studies suggest that the S 3 state consists of four Mn(IV) ions, compared to the Mn(III)Mn(IV) 3 of the S 2 state. However, recent crystallographic data have received conflicting interpretations, suggesting either metal- or ligand-based oxidation, the latter leading to an oxyl radical or a peroxo moiety in the S 3 state. Herein, we utilize high-energy resolution fluorescence detected (HERFD) X-ray absorption spectroscopy to obtain a highly resolved description of the Mn K pre-edge region for all S-states, paying special attention to use chemically unperturbed S 3 state samples. In combination with quantum chemical calculations, we achieve assignment of specific spectroscopic features to geometric and electronic structures for all S-states. These data are used to confidently discriminate between the various suggestions concerning the electronic structure and the nature of oxidation events in all observable catalytic intermediates of the OEC. Our results do not support the presence of either peroxo or oxyl in the active configuration of the S 3 state. This establishes Mn-centered storage of oxidative equivalents in all observable catalytic transitions and constrains the onset of the O–O bond formation until after the final light-driven oxidation event.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗