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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Uncovering electron-phonon scattering and phonon dynamics in type-I Weyl semimetals

Studies of topological semimetals have revealed spectacular transport phenomena spanning extreme magnetoresistance effects and ultrahigh mobilities. As phonon dynamics and electron-phonon scattering play a critical role in the electrical and thermal transport, in this work we pursue a fundamental understanding of these effects in type-I Weyl semimetals NbAs and TaAs. In the temperature-dependent Raman spectra of NbAs we reveal a previously unreported Fano line shape, a signature stemming from the electron-phonon interaction. Additionally, the temperature dependence of the A 1 phonon linewidths in both NbAs and TaAs strongly deviate from the standard model of anharmonic decay. To capture the mechanisms responsible for the observed Fano asymmetry and the atypical phonon linewidth, we present first-principles calculations of the phonon self-energy correction due to the electron-phonon interaction. Through this study of the phonon dynamics and electron-phonon interaction in these Weyl semimetals, we consider specific microscopic pathways which could contribute to the nature of their macroscopic transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Cassini atmospheric chemistry mapper. Volume 1. Investigation and technical plan

The Cassini Atmospheric Chemistry Mapper (ACM) enables a broad range of atmospheric science investigations for Saturn and Titan by providing high spectral and spatial resolution mapping and occultation capabilities at 3 and 5 microns. ACM can directly address the major atmospheric science objectives for Saturn and for Titan, as defined by the Announcement of Opportunity, with pivotal diagnostic measurements not accessible to any other proposed Cassini instrument. ACM determines mixing ratios for atmospheric molecules from spectral line profiles for an important and extensive volume of the atmosphere of Saturn (and Jupiter). Spatial and vertical profiles of disequilibrium species abundances define Saturn's deep atmosphere, its chemistry, and its vertical transport phenomena. ACM spectral maps provide a unique means to interpret atmospheric conditions in the deep (approximately 1000 bar) atmosphere of Saturn. Deep chemistry and vertical transport is inferred from the vertical and horizontal distribution of a series of disequilibrium species. Solar occultations provide a method to bridge the altitude range in Saturn's (and Titan's) atmosphere that is not accessible to radio science, thermal infrared, and UV spectroscopy with temperature measurements to plus or minus 2K from the analysis of molecular line ratios and to attain an high sensitivity for low-abundance chemical species in the very large column densities that may be achieved during occultations for Saturn. For Titan, ACM solar occultations yield very well resolved (1/6 scale height) vertical mixing ratios column abundances for atmospheric molecular constituents. Occultations also provide for detecting abundant species very high in the upper atmosphere, while at greater depths, detecting the isotopes of C and O, constraining the production mechanisms, and/or sources for the above species. ACM measures the vertical and horizontal distribution of aerosols via their opacity at 3 microns and, particularly, at 5 microns. ACM recovers spatially-resolved atmospheric temperatures in Titan's troposphere via 3- and 5-microns spectral transitions. Together, the mixing ratio profiles and the aerosol distributions are utilized to investigate the photochemistry of the stratosphere and consequent formation processes for aerosols. Finally, ring opacities, observed during solar occultations and in reflected sunlight, provide a measurement of the particle size and distribution of ring material. ACM will be the first high spectral resolution mapping spectrometer on an outer planet mission for atmospheric studies while retaining a high resolution spatial mapping capability. ACM, thus, opens an entirely new range of orbital scientific studies of the origin, physio-chemical evolution and structure of the Saturn and Titan atmospheres. ACM provides high angular resolution spectral maps, viewing nadir and near-limb thermal radiation and reflected sunlight; sounds planetary limbs, spatially resolving vertical profiles to several atmospheric scale heights; and measures solar occultations, mapping both atmospheres and rings. ACM's high spectral and spatial resolution mapping capability is achieved with a simplified Fourier Transform spectrometer with a no-moving parts, physically compact design. ACM's simplicity guarantees an inherent stability essential for reliable performance throughout the lengthy Cassini Orbiter mission.

Smith, William Hayden↗
DOE OSTI2020

Mapping the phases of quantum chromodynamics with beam energy scan

We review the present status of the search for a phase transition and critical point as well as anomalous transport phenomena in Quantum Chromodynamics (QCD), with an emphasis on the Beam Energy Scan program at the Relativistic Heavy Ion Collider at Brookhaven National Laboratory. We present the conceptual framework and discuss the observables deemed most sensitive to a phase transition, QCD critical point, and anomalous transport, focusing on fluctuation and correlation measurements. Selected experimental results for these observables together with those characterizing the global properties of the systems created in heavy ion collisions are presented. We then discuss what can be already learned from the currently available data about the QCD critical point and anomalous transport as well as what additional measurements and theoretical developments are needed in order to discover these phenomena.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1992

Fluid mechanics phenomena in microgravity; ASME Winter Annual Meeting, Anaheim, CA, Nov. 8-13, 1992

This paper is the first in a series of symposia presenting research activity in microgravity fluid mechanics. General topics addressed include two-phase flow and transport phenomena, thermo-capillary flow, and interfacial stability. Papers present mathmatical models of fluid dynamics in the microgravity environment. Applications suggested include space manufacturing and storage of liquids in low gravity.

Siginer, Dennis A.↗
DOE OSTI2020

Correlation Function Approach for Diffusion in Confined Geometries

This paper describes a formalism for extracting spatially varying transport coefficients from simulations of a molecular fluid in a nano channel. This approach is applied to self-diffusion of a Lennard-Jones fluid confined between two parallel surfaces. A numerical grid is laid over the domain confining the fluid, and fluid properties are projected onto the grid cells. The time correlation functions between properties in different grid cells are calculated and can be used as the basis for a fitting procedure for extracting spatially varying diffusion coefficients from the simulation. Results for the Lennard-Jones system show that transport behavior varies sharply near the liquid-solid boundary and that the changes depend on the details of the liquid-solid interaction. A quantitative difference between the reduced and detailed models is discussed. It is found that the difference could be associated with assumptions about the form of the transport equations at molecular scales in lieu of problems with the method itself. The study suggests that this approach to fitting molecular simulations to continuum equations may guide the development of appropriate coarse-grained equations to model transport phenomena at nanometer scales.

Nanoscale flow, Transport, molecular simulation↗
DOE OSTI2021

Linking Perfluorosulfonic Acid Ionomer Chemistry and High-Current Density Performance in Fuel-Cell Electrodes

Transport phenomena are key in controlling the performance of electrochemical energy-conversion technologies and can be highly complex, involving multiple length scales and materials/phases. Material designs optimized for one reactant species transport however may inhibit other transport processes. We explore such trade-offs in the context of polymer-electrolyte fuel-cell electrodes, where ionomer thin films provide the necessary proton conductivity but retard oxygen transport to the Pt reaction site and cause interfacial resistance due to sulfonate/Pt interactions. We examine the electrode overall gas-transport resistance and its components as a function of ionomer content and chemistry. Low-equivalent-weight ionomers allow better dissolved-gas and proton transport due to greater water uptake and low crystallinity but also cause significant interfacial resistance due to the high density of sulfonic acid groups. These effects of equivalent weight are also observed via in situ ionic conductivity and CO displacement measurements. Of critical importance, the results are supported by ex situ ellipsometry and X-ray scattering of model thin-film systems, thereby providing direct linkages and applicability of model studies to probe complex heterogeneous structures. Structural and resultant performance changes in the electrode are shown to occur above a threshold sulfonic-group loading, highlighting the significance of ink-based interactions. Furthermore, our findings and methodologies are applicable to a variety of solid-state energy-conversion devices and material designs.

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

Consistent transport coefficients in astrophysics

A consistent theory for dealing with transport phenomena in stellar atmospheres starting with the kinetic equations and introducing three cases (LTE, partial LTE, and non-LTE) was developed. The consistent hydrodynamical equations were presented for partial-LTE, the transport coefficients defined, and a method shown to calculate them. The method is based on the numerical solution of kinetic equations considering Landau, Boltzmann, and Focker-Planck collision terms. Finally a set of results for the transport coefficients derived for a partially ionized hydrogen gas with radiation was shown, considering ionization and recombination as well as elastic collisions. The results obtained imply major changes is some types of theoretical model calculations and can resolve some important current problems concerning energy and mass balance in the solar atmosphere. It is shown that energy balance in the lower solar transition region can be fully explained by means of radiation losses and conductive flux.

Fontenla, Juan M.↗
DOE OSTI2024

Thermochemical Modeling of Radionuclide Vapor-Liquid Equilibria in Sodium Pools for SFR Mechanistic Source Term Analysis

Mechanistic source term (MST) analysis of sodium fast reactors (SFR) requires understanding of various radionuclide (RN) transport phenomena influencing potential releases from the fuel to the environment. One such phenomenon includes the retention or release of RNs from the sodium coolant pool, representing the step after possible fuel failures and influencing transport to the cover gas region. Thermodynamic vapor-liquid equilibria (VLE) calculations were performed on systems representing SFR sodium pools containing oxygen impurities and radionuclide (RN) inventories. First, an assessment and recreation of a previously developed thermodynamic database was completed, including updates to thermodynamic parameters. The RN inventories used in VLE calculations represented hypothetical source terms that might be released to the pool during previously analyzed fuel failure scenarios. The calculations were performed for all possible combinations of sodium pool size (i.e., total oxygen) and number of failed fuel pins (i.e., total RNs). In this way, multiple ratios of the RN relative to the oxygen impurity (RN:O) were compared for their impact on RN volatility, which is discussed in terms of the vapor fraction (VF), defined as the fraction of the RN that is calculated to exist in the vapor phase at equilibrium above condensed phases of that element. Similar trends in VLE behavior are seen in the equilibrium calculation results for elements of similar chemistry, and for some element types, it was found that the RN:O ratio can be important due to oxide formation, which typically exist in the condensed phase.

Shahbazi, Shayan↗
DOE OSTI2022

Nonequilibrium statistical thermodynamics of multicomponent interfaces

Nonequilibrium interfacial thermodynamics has important implications for crucial biological, physical, and industrial-scale transport processes. Here, we discuss a theory of local equilibrium for multiphase multicomponent interfaces that builds upon the “sharp” interface concept first introduced by Gibbs, allowing for a description of nonequilibrium interfacial processes such as those arising in evaporation, condensation, adsorption, etc. By requiring that the thermodynamics be insensitive to the precise location of the dividing surface, one can identify conditions for local equilibrium and develop methods for measuring the values of intensive variables at the interface. We then use extensive, high-precision nonequilibrium molecular dynamics (NEMD) simulations to verify the theory and establish the validity of the local equilibrium hypothesis. In particular, we demonstrate that equilibrium equations of state are also valid out of equilibrium, and can be used to determine interfacial temperature and chemical potential(s) that are consistent with nonequilibrium generalizations of the Clapeyron and Gibbs adsorption equations. We also show, for example, that, far from equilibrium, temperature or chemical potential differences need not be uniform across an interface and may instead exhibit pronounced discontinuities. However, even in these circumstances, we demonstrate that the local equilibrium hypothesis and its implications remain valid. These results provide a thermodynamic foundation and computational tools for studying or revisiting a wide variety of interfacial transport phenomena.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Current program to investigate phenomena in a microgravity environment

Current NASA Microgravity Science and Applications Division Shuttle and terrestrial experiments to acquire basic data for space-based materials processing activities are summarized. The research is carried out to increase the understanding and to improve ground-based and space-based processing, to enhance the understanding of basic physical phenomena, and to characterize the forces which effect low-gravity processing. The main areas of research are crystal growth, metallic alloy solidification, bioseparation processes, blood rheology, containerless processing, and studies of combustion processes, chemical and transport phenomena, cloud microphysics and fluid behavior and surface phenomena in microgravity. Specific experiments, which exemplify the research goals and were performed on KC-135 flights along Keplerian trajectories and on Shuttle missions, are described.

Oran, William A.↗
DOE OSTI2022

Less can be more: Insights on the role of electrode microstructure in redox flow batteries from two-dimensional direct numerical simulations

Understanding how to structure a porous electrode to facilitate fluid, mass, and charge transport is key to enhancing the performance of electrochemical devices, such as fuel cells, electrolyzers, and redox flow batteries (RFBs). Here, using a parallel computational framework, direct numerical simulations are carried out on idealized porous electrode microstructures for RFBs. Strategies to improve an electrode design starting from a regular lattice are explored. By introducing vacancies in the ordered arrangement, it is possible to achieve higher voltage efficiency at a given current density, thanks to improved mixing of reactive species, despite reducing the total reactive surface. Careful engineering of the location of vacancies, resulting in a density gradient, outperforms disordered configurations. Our simulation framework is a new tool to explore transport phenomena in RFBs, and our findings suggest new ways to design performant electrodes.

25 ENERGY STORAGE↗
DOE OSTI2023

Unveiling the Significance of Correlations in K-Space and Configuration Space for Drift Wave Turbulence in Tokamaks

Turbulence and transport phenomena play a crucial role in the confinement and stability of tokamak plasmas. Turbulent fluctuations in certain physical quantities, such as density or temperature fluctuations, can have a wide range of spatial scales, and understanding their correlation length is important for predicting and controlling the behavior of the plasma. The correlation length in the radial direction is identified as the critical length in real space. The dynamics in real space are of significant interest because transport in configuration space is primarily focused on them. When investigating transport caused by the E×B drift, the correlation length in real space represents the size of E×B whirls. It was numerically discovered that in drift wave turbulence, this length is inversely proportional to the normalized mode number of the fastest growing mode relative to the drift frequency. Considerable time was required before a proper analytical derivation of this condition was accomplished. Therefore, a connection has been established between phenomena occurring in real space and those occurring in k-space. Although accompanied by a turbulent spectrum in k-space with a substantial width, transport in real space is uniquely determined by the correlation length, allowing for accurate transport calculations through the dynamics of a single mode. Naturally, the dynamics are subject to nonlinear effects, with resonance broadening in frequency being the most significant nonlinear effect. Thus, mode number space is once again involved. Resonance broadening leads to the detuning of waves from particles, permitting a fluid treatment. It should be emphasized that the consideration here involves the total electric field, including the induction part, which becomes particularly important at higher beta plasmas.

Weiland, Jan (ORCID:0000000253496025)↗
NASA NTRS2004

Multi-Element Unstructured Analyses of Complex Valve Systems

The safe and reliable operation of high pressure test stands for rocket engine and component testing places an increased emphasis on the performance of control valves and flow metering devices. In this paper, we will present a series of high fidelity computational analyses of systems ranging from cryogenic control valves and pressure regulator systems to cavitating venturis that are used to support rocket engine and component testing at NASA Stennis Space Center. A generalized multi-element framework with sub-models for grid adaption, grid movement and multi-phase flow dynamics has been used to carry out the simulations. Such a framework provides the flexibility of resolving the structural and functional complexities that are typically associated with valve-based high pressure feed systems and have been difficult to deal with traditional CFD methods. Our simulations revealed a rich variety of flow phenomena such as secondary flow patterns, hydrodynamic instabilities, fluctuating vapor pockets etc. In the paper, we will discuss performance losses related to cryogenic control valves, and provide insight into the physics of the dominant multi-phase fluid transport phenomena that are responsible for the choking like behavior in cryogenic control elements. Additionally, we will provide detailed analyses of the modal instability that is observed in the operation of the dome pressure regulator valve. Such instabilities are usually not localized and manifest themselves as a system wide phenomena leading to an undesirable chatter at high flow conditions.

Sulyma, Peter↗
NASA NTRS1987

Simulation of charged particle transport on the MPP

Computations of cosmic ray transport based upon finite difference methods are afflicted by instabilities, inaccuracies, and artifacts. To avoid these problems, a Monte Carlo formulation was developed which is closely related not only to the finite difference formulation, but also to the underlying physics of transport phenomena. Implementations of this approach are currently running on the Massively Parallel Processor at Goddard, whose enormous computing power overwhelms the poor statistical accuracy that usually limits the use of stochastic methods. In a Monte Carlo simulation of rectilinear transport, the coherent and diffusive effects that appeared are in good quantitative agreement with both finite difference and analytical calculations.

Earl, James A.↗
NASA NTRS2002

The NASA Microgravity Fluid Physics Program: Knowledge for Use on Earth and Future Space Missions

Building on over four decades of research and technology development related to the behavior of fluids in low gravity environments, the current NASA Microgravity Fluid Physics Program continues the quest for knowledge to further understand and design better fluids systems for use on earth and in space. The purpose of the Fluid Physics Program is to support the goals of NASA's Biological and Physical Research Enterprise which seeks to exploit the space environment to conduct research and to develop commercial opportunities, while building the vital knowledge base needed to enable efficient and effective systems for protecting and sustaining humans during extended space flights. There are currently five major research areas in the Microgravity Fluid Physics Program: complex fluids, multiphase flows and phase change, interfacial phenomena, biofluid mechanics, and dynamics and instabilities. Numerous investigations into these areas are being conducted in both ground-based laboratories and facilities and in the flight experiments program. Most of the future NASA-sponsored fluid physics and transport phenomena studies will be carried out on the International Space Station in the Fluids Integrated Rack, in the Microgravity Science Glovebox, in EXPRESS racks, and in other facilities provided by international partners. This paper will present an overview of the near- and long-term visions for NASA's Microgravity Fluid Physics Research Program and brief descriptions of hardware systems planned to achieve this research.

Kohl, Fred J.↗
DOE OSTI2026

Recent progress in atomic-scale controlled plasma processing

Atomic-scale control in plasma processing is becoming increasingly critical for fabricating of advanced semiconductor devices, particularly as the industry shifts toward three-dimensional (3D) architectures and high-aspect-ratio (HAR) structures. This review presents a comprehensive overview of recent developments in atomic-scale controlled plasma processes, organized along two key directions: the hierarchical structure of plasma–surface interactions and the generational evolution of atomic layer processing (ALP) technologies. We examined the gas phase, where molecular design enables selective generation of ions and radicals; the boundary layer, where transport phenomena govern species delivery into nanoscale features, and the surface, where temperature-dependent reactions and cyclic processing determine etching selectivity and precision. Building on this foundation, we outline five generations of ALP—from thermal atomic layer deposition to transport-aware, temporally and structurally decoupled processes—highlighting the increasing sophistication of process control. The review further explores the transition from empirical recipe development to science-based, data-driven methodologies. By integrating quantum-chemical modeling, advanced diagnostics, and machine learning, we demonstrated how predictive models can link plasma species composition to process outcomes, enabling autonomous and adaptive control strategies. Finally, this review discusses the broader societal implications of plasma process innovation through the E4 quartet: energy and resource efficiency, environmental sustainability, evolutionary advancement, and educational promotion. These principles guide the development of sustainable and intelligent atomic-scale manufacturing technologies that are not only technically advanced but also socially responsible.

Ishikawa, Kenji [Nagoya Univ. (Japan)] (ORCID:0000↗
NASA NTRS2003

The NASA Microgravity Fluid Physics Program: Research Plans for the ISS

Building on over four decades of research and technology development related to the behavior of fluids in low gravity environments, the current NASA Microgravity Fluid Physics Program continues the quest for knowledge to further understand and design better fluids systems for use on earth and in space. NASA's Biological and Physical Research Enterprise seeks to exploit the space environment to conduct research supporting human exploration of space (strategic research), research of intrinsic scientific importance and impact (fundamental research), and commercial research. The strategic research thrust will build the vital knowledge base needed to enable NASA's mission to explore the Universe and search for life. There are currently five major research areas in the Microgravity Fluid Physics Program: complex fluids, niultiphase flows and phase change, interfacial phenomena, biofluid mechanics, and dynamics and instabilities. Numerous investigations into these areas are being conducted in both ground-based laboratories and facilities and in the flight experiments program. Most of the future NASA- sponsored flight experiments in microgravity fluid physics and transport phenomena will be carried out on the International Space Station (ISS) in the Fluids Integrated Rack (FIR), in the Microgravity Science Glovebox (MSG), in EXPRESS racks, and in other facilities provided by international partners. This paper presents an overview of the near- and long-term visions for NASA's Microgravity Fluid Physics Research Program and brief descriptions of hardware systems planned to enable this research.

Kohl, Fred J.↗