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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 217 records · Page 12

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Effect of Confinement on the Density and Diffusivity of Organic Molecules in Single-Digit Nanopores Relative to Bulk Fluid Behavior

Prediction of fluid properties in microporous and mesoporous confinement is non-trivial due to distinct influences from pore surface functionality and shape and fluid molecular characteristics. The vast majority of literature focuses nearly exclusively on a small number of components that are generally low molecular weight gases and vapors. Missing are studies that utilize a relatively large number of compounds that are liquid at ambient conditions to probe the impact of molecular shape and size on confined fluid properties. Such materials are of great interest in the extraction of oil and gas from shale reservoirs or for the design of selective adsorbents for chemical separation. In this work, we reveal non-intuitive relationships that emerge when comparing bulk fluid properties to those when confined in amorphous silica single-digit nanopores (approx. 5 nm SBA-15), specifically the confined density and self-diffusivity. A counterintuitive result was obtained where larger molecules had relatively faster self-diffusivities; however, this behavior was revealed to be caused by these larger compounds exhibiting a relatively low density when confined. As the prediction of confined fluid properties impacts a diversity of disciplines, the results highlight the need for additional investigations where consistent and large-scale experimental procedures are employed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1992

On the modeling of scalar diffusion in isotropic turbulence

The objectives of the study were to establish the behavior of conditional scalar dissipation and diffusion at the extreme values of mass fraction and to derive and evaluate closure models for these terms using the scalar probability density function. The conditional scalar dissipation, its derivative with respect to mass fraction, and conditional scalar diffusion are all found to be zero at extreme values of mass fraction. A model for conditional scalar dissipation is derived which exhibits the correct behavior at the extreme values of scalar concentration.

Girimaji, Sharath S.↗

DOE OSTI2023

Coating developments towards enabling aluminum as a bipolar plate material for PEM fuel cells

Bipolar plates represent a significant portion of the cost and weight of a proton exchange membrane fuel cell stack. As a result, there has been significant interest in using low weight and cost materials, such as aluminum. Aluminum has good mechanical and physical properties; however, it performs poorly in the corrosive environment within the fuel cell stack. To overcome the corrosion performance issue, there have been efforts towards developing coating processes to enable aluminum to attain corrosion targets. In an effort to enable aluminum as a viable bipolar plate material, a solid phase processing (diffusion bonding) approach for bonding a titanium foil to aluminum is investigated in this study. The microstructure, corrosion performance, mechanical properties and electrical resistance are investigated. To avoid the known reduction in contact resistance performance of titanium after exposure to bipolar plate media, the effect of addition of highly conductive gold particles after diffusion bonding, on contact resistance and corrosion behavior, is also studied and compared with diffusion bonded Ti to Al. In conclusion, the results indicate that diffusion bonded Ti to Al provides a viable alternative material combination for bipolar plate that avoids the micro pores and crevasses that are associated with vapor deposition or electroplating.

25 ENERGY STORAGE↗

NASA NTRS2003

Buoyancy Effects in Fully-Modulated, Turbulent Diffusion Flames

Pulsed combustion appears to have the potential to provide for rapid fuel/air mixing, compact and economical combustors, and reduced exhaust emissions. The objective of this experiment (PuFF, for Pulsed-Fully Flames) is to increase the fundamental understanding of the fuel/air mixing and combustion behavior of pulsed, turbulent diffusion flames by conducting experiments in microgravity. In this research the fuel jet is fully-modulated (i.e., completely shut off between pulses) by an externally controlled valve system. This gives rise to drastic modification of the combustion and flow characteristics of flames, leading to enhanced fuel/air mixing compared to acoustically excited or partially-modulated jets. Normal-gravity experiments suggest that the fully-modulated technique also has the potential for producing turbulent jet flames significantly more compact than steady flames with no increase in exhaust emissions. The technique also simplifies the combustion process by avoiding the acoustic forcing generally present in pulsed combustors. Fundamental issues addressed in this experiment include the impact of buoyancy on the structure and flame length, temperatures, radiation, and emissions of fully-modulated flames.

Hermanson, J. C.↗

NASA NTRS2001

An Investigation of Fully Modulated, Turbulent Diffusion Flames in Reduced Gravity

Pulsed combustion appears to have the potential to provide for rapid fuel/air mixing, compact and economical combustors, and reduced exhaust emissions. The objective of this Flight-Definition experiment (PuFF, for Pulsed-Fully Flames) is to increase the fundamental understanding of the fuel/air mixing and combustion behavior of pulsed, turbulent diffusion flames by conducting experiments in microgravity. In this research the fuel jet is fully modulated (i.e., completely shut off between pulses) by an externally controlled valve system. This gives rise to drastic modification of the combustion and flow characteristics of flames, leading to enhanced fuel/air mixing mechanisms not operative for the case of acoustically excited or partially-modulated jets. The fully-modulated injection approach also simplifies the combustion process by avoiding the acoustic forcing generally present in pulsed combustors. Relatively little is known about the behavior of turbulent flames in reduced-gravity conditions, even in the absence of pulsing. Fundamental issues addressed in this experiment include the impact of buoyancy on the fuel/air mixing and combustion characteristics of fully-modulated flames. It is also important for the planned space experiments to establish the effects of confinement and oxidizer co-flow on these flames.

Hermanson, J. C.↗

NASA NTRS1993

NASA/DoD Aerospace Knowledge Diffusion Research Project. Paper 31: The information-seeking behavior of engineers

Engineers are an extraordinarily diverse group of professionals, but an attribute common to all engineers is their use of information. Engineering can be conceptualized as an information processing system that must deal with work-related uncertainty through patterns of technical communications. Throughout the process, data, information, and tacit knowledge are being acquired, produced, transferred, and utilized. While acknowledging that other models exist, we have chosen to view the information-seeking behavior of engineers within a conceptual framework of the engineer as an information processor. This article uses the chosen framework to discuss information-seeking behavior of engineers, reviewing selected literature and empirical studies from library and information science, management, communications, and sociology. The article concludes by proposing a research agenda designed to extend our current, limited knowledge of the way engineers process information.

Pinelli, Thomas E.↗

DOE OSTI2025

AGR TRISO Fuel Performance Modeling in FY-25

This report summarizes the activities performed in FY-25 to support fuel performance modeling for the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program. This includes implementation of a new uranium oxycarbide (UCO) kernel swelling rate model, inner pyrolytic carbon (IPyC) cracking behavior and failure predictions, development of new UCO and silicon carbide (SiC) cesium diffusion parameters, and the thermomechanical behavior of particle layers using experimental data from micro-tensile strength testing.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2016

Passive Rocket Diffuser Testing: Reacting Flow Performance of Four Second-Throat Geometries

Second-throat diffusers serve to isolate rocket engines from the effects of ambient back pressure. As one of the nation's largest rocket testing facilities, the performance and design limitations of diffusers are of great interest to NASA's Stennis Space Center. This paper describes a series of tests conducted on four diffuser configurations to better understand the effects of inlet geometry and throat area on starting behavior and boundary layer separation. The diffusers were tested for a duration of five seconds with a 1455-pound thrust, LO2/GH2 thruster to ensure they each reached aerodynamic steady state. The effects of a water spray ring at the diffuser exits and a water-cooled deflector plate were also evaluated. Static pressure and temperature measurements were taken at multiple axial locations along the diffusers, and Computational Fluid Dynamics (CFD) simulations were used as a tool to aid in the interpretation of data. The hot combustion products were confirmed to enable the diffuser start condition with tighter second throats than predicted by historical cold-flow data or the theoretical normal shock method. Both aerodynamic performance and heat transfer were found to increase with smaller diffuser throats. Spray ring and deflector cooling water had negligible impacts on diffuser boundary layer separation. CFD was found to accurately capture diffuser shock structures and full-flowing diffuser wall pressures, and the qualitative behavior of heat transfer. However, the ability to predict boundary layer separated flows was not consistent.

Jones, Daniel R.↗

NASA NTRS2002

Structural Fluctuations and Thermophysical Properties of Molten II-VI Compounds

The objectives of the project are to conduct ground-based experimental and theoretical research on the structural fluctuations and thermophysical properties of molten II-VI compounds to enhance the basic understanding of the existing flight experiments in microgravity materials science programs as well as to study the fundamental heterophase fluctuation phenomena in these melts by: 1) conducting neutron scattering analysis and measuring quantitatively the relevant thermophysical properties of the II-VI melts (such as viscosity, electrical conductivity, thermal diffusivity and density) as well as the relaxation characteristics of these properties to advance the understanding of the structural properties and the relaxation phenomena in these melts and 2) performing theoretical analyses on the melt systems to interpret the experimental results. All the facilities required for the experimental measurements have been procured, installed and tested. Thermal diffusivity of molten tellurium has been measured by a laser flash method in the temperature range of 500 C to 900 C. The measured diffusivity as a function of temperature agrees fairly well with published data. However, a relaxation phenomenon, which shows a slow drift of the measured thermal conductivity toward the equilibrium value after cooling of the melt, was observed for the first time. An apparatus based on the transient torque induced by a rotating magnetic field has been developed to determine the viscosity and electrical conductivity of semiconducting liquids. Viscosity measurements on molten tellurium showed a similar relaxation behavior to the measured diffusivity. The density and volume expansion coefficients for pure Te and HgTe melts were measured as a function of temperature using a pycnometric method. A density maximum was found for both melts but no relaxation behavior was observed. Neutron scattering experiments were performed on the HgTe and HgZnTe melts and the results on pair distribution showed better resolution than previously reported. A simple kinetic theory, which contains the formation reactions of Te polymerization that increases the molecular weight, was proposed to interpret the relaxation behavior of HgZnTe viscosity data.

Su, Ching-Hua↗

NASA NTRS1973

Dynamics of moisture diffusion through a partially liquid filled porous matrix.

Models for unsteady water transport in fuel cell configurations of Bacon-Pratt and Whitney type are derived. Tests with a specially constructed isothermal cell producing no water and order of magnitude analysis show that diffusion through the liquid alone cannot account for the observed behavior. An analytical solution which includes diffusion in both the liquid and the gas spaces of the matrix is in better agreement with the data than models which consider diffusion in either the liquid or in the gas phase alone.

Murty, B. G. K.↗

NASA NTRS1993

The distribution of Martian ground ice at other epochs

The past orbital evolution of Mars is examined in relation to changes in ice stability as well as the condensation, sublimation, and diffusion of atmospheric water in an exchange with the regolith. The Martian obliquity has undergone significant oscillations in its recent past. During periods of high obliquity, the solar energy would have been distributed such that the equatorial and midlatitude regions would have been colder that at present and the polar regions would have been warmer. Warmer polar regions would result in the sublimation of more polar cap water into the atmosphere and thus higher atmospheric water abundances. This combination of effects would have resulted in ground ice being stable globally. During periods of low obliquity the opposite would have occurred. Modeling results of the regolith thermal behavior and the molecular diffusion of water vapor within the regolith and in exchange with the atmosphere have shown significant quantities of ground ice can form at all latitudes within the top 50 cm to 1 m of the regolith during periods of high obliquity. The amount of ice that forms can be as much as the regolith pores can hold. During low obliquity most or all of this ice sublimes and diffuses away. Below this depth a longer-term stability is observed at some latitudes where ice steadily increases in concentration regardless of orbital oscillations that occur.

Mellon, M. T.↗

NASA NTRS2003

Structural Fluctuation and Thermophysical Properties of Molten II-VI Compounds

The objectives of the project is to conduct ground-based experimental and theoretical research on the structural fluctuations and thermophysical properties of molten II-VI compounds to enhance the basic understanding of the existing flight experiments in microgravity materials science programs and to study the fundamental heterophase fluctuations phenomena in these melts by: 1) Conducting neutron scattering analysis and measuring quantitatively the relevant thermophysical properties of the II-VI melts such as viscosity, electrical conductivity, thermal diffusivity and density as well as the relaxation characteristics of these properties to advance the understanding of the structural properties and the relaxation phenomena in these melts and 2) Performing theoretical analyses on the melt systems to interpret the experimental results. All the facilities required for the experimental measurements have been procured, installed and tested. A relaxation phenomenon, which shows a slow drift of the measured thermal conductivity toward the equilibrium value after cooling of the sample, was observed for the first time. An apparatus based on the transient torque induced by a rotating magnetic field has been developed to determine the viscosity and electrical conductivity of semiconducting liquids. Viscosity measurements on molten tellurium showed similar relaxation behavior as the measured diffusivity. Neutron scattering experiments were performed on the HgTe and HgZnTe melts and the results on pair distribution showed better resolution than previous reported.

Source record↗

DOE OSTI2025

Soil porous microstructure control over soil organic matter mobility: A multimethod workflow for understanding chemistry-dependent organic matter binding in soil

Soil organic matter (SOM) has attracted a great deal of interest; particularly for its potential to mitigate human derived CO 2 emissions. Studies have demonstrated that SOM plays a critical role in carbon storage and CO 2 sequestration. However, the sorption properties of SOM, which influence its transport in pore water and stabilization within the soil, remain poorly understood. This study develops a workflow to: (1) examine compound-specific advective and diffusive transport and desorption behaviors, (2) quantify desorption rates through stop-flow and continuous-flow column experiments, and (3) evaluate the impact of soil microporosity on SOM mobility using high-resolution imaging and extractions. Intact core column experiments were conducted on Uncultivated (Natural) and Cultivated soil samples, both were arid soils, collected in Washington State. X-ray computed tomography was employed to measure porosity and pore connectivity, while Fourier-transform ion cyclotron resonance mass spectrometry was used to analyze SOM composition. The findings revealed that cultivation increased total carbon and nitrogen levels due to irrigation and fertilization, enhancing carbon capture potential in arid soils. In contrast, the Natural soil, characterized by higher porosity and connectivity, contained more oxidized carbon. Pore network analysis indicated that soil compaction in the Cultivated soil may lead to longer diffusion pathways, significantly influencing SOM transport and stability.

Hydraulic Properties↗

NASA NTRS2003

Tidal volume single-breath washin of SF6 and CH4 in transient microgravity

We performed tidal volume single-breath washins (SBW) by using tracers of different diffusivity and varied the time spent in microgravity (microG) before the start of the tests to look for time-dependent effects. SF(6) and CH(4) phase III slopes decreased by 35 and 26%, respectively, in microG compared with 1 G (P < 0.05), and the slope difference between gases disappeared. There was no effect of time in microG, suggesting that neither the hypergravity period preceding microG nor the time spent in microG affected gas mixing at volumes near functional residual capacity. In previous studies using SF(6) and He (Lauzon A-M, Prisk GK, Elliott AR, Verbanck S, Paiva M, and West JB. J Appl Physiol 82: 859-865, 1997), the vital capacity SBW showed an increase in slope difference between gases in transient microG, the opposite of the decrease in sustained microG. In contrast, tidal volume SBW showed a decrease in slope difference in both microG conditions. Because it is only the behavior of the more diffusive gas that differed between maneuvers and microG conditions, we speculate that, in the previous vital capacity SBW, the hypergravity period preceding the test in transient microG provoked conformational changes at low lung volumes near the acinar entrance.

Parabolic Flight↗

NASA NTRS1985

Crystal growth for high-efficiency silicon solar cells workshop: Summary

The state of the art in the growth of silicon crystals for high-efficiency solar cells are reviewed, sheet requirements are defined, and furture areas of research are identified. Silicon sheet material characteristics that limit cell efficiencies and yields were described as well as the criteria for the ideal sheet-growth method. The device engineers wish list to the material engineer included: silicon sheet with long minority carrier lifetime that is uniform throughout the sheet, and which doesn't change during processing; and sheet material that stays flat throughout device processing, has uniform good mechanical strength, and is low cost. Impurities in silicon solar cells depreciate cell performance by reducing diffusion length and degrading junctions. The impurity behavior, degradation mechanisms, and variations in degradation threshold with diffusion length for silicon solar cells were described.

Dumas, K. A.↗

DOE OSTI2022

Two–Photon Printing of Shape–Memory Microstructures and Metasurfaces via Radical–Mediated Thiol–Vinyl Hydrothiolation

Shape-memory resists capable of high-resolution curing into arbitrarily designed structures are increasingly demanded for soft robotics, optical sensors, microscale manufacturing, and biomedicine. Amorphous, shape-memory thiol-vinyl networks were printed using two-photon polymerization (2PP) curing of a simple resin formulated with commercially available reagents. The ability to print high-resolution feature sizes down to 200 nm is attributed to the use of radicalmediated, thiol-vinyl step-growth polymerization that quickly crosslinks the resin, limiting diffusive transport. The thermomechanical behavior of the 2PP-cured material analyzed in compression, tension and three-point bending is similar to the behavior of the UV-polymerized samples. To demonstrate the ability to design, field, and test 4D responsive microstructures, an array of nine springs with coil diameters of 330 μm was printed. Following compressive shapefixing, printed arrays can release 11 μJ of stored elastic strain energy when reheated. Further, a new concept of dichroic-memory of a metamaterial device is demonstrated by printing a twisted woodpile structure with circular dichroism as characterized by Mueller Matrix ellipsometry. Furthermore, our results demonstrate how combining high-resolution 2PP curing with stimuli-responsive molecular architectures can further the engineering of responsive microstructures and metamaterials.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Speciation and diffusive dynamics in hydrated grain boundaries of complex oxide Gd2Ti2O7

Abstract Grain boundaries in polycrystalline materials significantly affect their properties, such as ionic transport, corrosion, and chemical durability. The pyrochlore compound (Gd 2 Ti 2 O 7 ) is employed as a model for complex oxides and is known for its diverse applications, including nuclear waste immobilization. Density functional theory-based first-principles molecular dynamics simulations were performed at different temperatures on the hydrated grain boundary system. The results show extensive transformations within the grain boundaries among hydrous water species (OH − , H 2 O, and H 3 O + ). The temperature dependence of self-diffusion coefficients follows Arrhenius behavior, with an activation energy of 35.9 kJ/mol for hydrogen and 46.3 kJ/mol for oxygen. The lifetime of OH − is about three to four times longer than that of H 2 O at temperatures from 800 to 2100 K, suggesting the greater stability of OH − over H 2 O, a unique characteristic of the grain boundaries. The estimated lifetime of the hydrous species decreases as the temperature increases, with an activation energy of 9.9 kJ/mol for OH − and 13.4 kJ/mol for H 2 O. While Gd 3 + is more mobile than Ti 4+ , both the Gd 3 + and Ti 4+ cations are orders of magnitude less mobile than the water species. The results suggest that water species are much more mobile within grain boundaries than in the bulk crystal and have the potential to penetrate deep into polycrystalline materials through grain boundaries, leading to grain boundary degradation and dissolution. The different mobilities of cations in complex oxides can lead to leaching of certain cations and incongruent dissolution during the chemical weathering of Earth and industrial materials.

B. Ghosh, Dipta↗

DOE OSTI2020

Protection of graphite from salt and gas permeation in molten salt reactors

The reactor core, moderator and reflectors of a thermal spectrum advanced molten salt reactor will constitute multi-tons of graphite. Porous reactor-grade graphite, if unprotected, can be permeated by molten salt depending on the infiltrating pressure differential and entrance diameters of accessible graphite pores. Salt and gas permeation of graphite can affect microstructural properties and radiation behavior but also facilitate diffusion, deposition and retention of fission products and tritium. Because of the significant void volume of nuclear graphite, fission products and tritium retention due to salt permeation necessitates seal coatings or pore impregnation to reduce open porosity. Alternatively, very fine-grained graphite grades with low Xe permeability are being developed. In this work, we survey the current technologies for mitigating salt and gas transport into graphite.

36 MATERIALS SCIENCE↗