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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

X-Aerogels for Structural Components and High Temperature Applications

Future NASA missions and space explorations rely on the use of materials that are strong ultra lightweight and able to withstand extreme temperatures. Aerogels are low density (0.01-0.5 g/cu cm) high porosity materials that contain a glass like structure formed through standard sol-gel chemistry. As a result of these structural properties, aerogels are excellent thermal insulators and are able to withstand temperatures in excess of l,000 C. The open structure of aerogels, however, renders these materials extremely fragile (fracturing at stress forces less than 0.5 N/sq cm). The goal of NASA Glenn Research Center is to increase the strength of these materials by templating polymers and metals onto the surface of an aerogel network facilitating the use of this material for practical applications such as structural components of space vehicles used in exploration. The work this past year focused on two areas; (1) the research and development of new templated aerogels materials and (2) process development for future manufacturing of structural components. Research and development occurred on the production and characterization of new templating materials onto the standard silica aerogel. Materials examined included polymers such as polyimides, fluorinated isocyanates and epoxies, and, metals such as silver, gold and platinum. The final properties indicated that the density of the material formed using an isocyanate is around 0.50 g/cc with a strength greater than that of steel and has low thermal conductivity. The process used to construct these materials is extremely time consuming and labor intensive. One aspect of the project involved investigating the feasibility of shortening the process time by preparing the aerogels in the templating solvent. Traditionally the polymerization used THF as the solvent and after several washes to remove any residual monomers and water, the solvent around the aerogels was changed to acetonitrile for the templating step. This process took a couple of days. It was experimentally determined that the polymerization reaction could be done in acetonitrile instead of THF with no detrimental effects to the properties of the resulting aerogel. Other changes in the time needed to crosslink the gels in the isocyanate solution as well as changes to the subsequent washing procedure could also shorten the processing time with no effect on the properties. Processing methods were also developed that allowed a variety of shapes as well as sizes of these materials to be formed.

Source record↗
DOE OSTI2021

The detrimental effect of elemental contaminants when using B additions to improve the creep properties of a Ni-based superalloy

The effect of Si contamination when using B to improve the creep properties of a Ni-based superalloy was investigated using advanced characterization techniques and first-principles simulations on alloys with high and low B levels with varying Si contents. The positive effect of B segregation along grain boundaries on the creep properties was mitigated by the presence of Si which showed a similar segregation preference. Density functional theory calculations were used for validation by calculating grain boundary cleavage energies. Silicon was shown to decrease grain boundary cohesion which offsets the positive effect of B.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of environmental screening and strain on optoelectronic properties of two-dimensional quantum defects

Point defects in hexagonal boron nitride (hBN) are promising candidates as single-photon emitters (SPEs) in nanophotonics and quantum information applications. The precise control of SPEs requires in-depth understanding of their optoelectronic properties. However, how the surrounding environment of host materials, including the number of layers, substrates, and strain, influences SPEs has not been fully understood. Here, in this work, we study the dielectric screening effect due to the number of layers and substrates, and the strain effect on the optical properties of carbon dimer and nitrogen vacancy defects in hBN from first-principles many-body perturbation theory. We report that environmental screening causes a lowering of the quasiparticle gap and exciton binding energy, leading to nearly constant optical excitation energy and exciton radiative lifetime. We explain the results with an analytical model starting from the Bethe–Salpeter equation Hamiltonian with Wannier basis. We also show that optical properties of quantum defects are largely tunable by strain with highly anisotropic response, in good agreement with experimental measurements. Our work clarifies the effect of environmental screening and strain on optoelectronic properties of quantum defects in two-dimensional insulators, facilitating future applications of SPEs and spin qubits in low-dimensional systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Understanding the Effects of Bi Modification on the Properties of Ni-Rich Cathodes

With the skyrocketing market demands for energy storage, lithium ions batteries (LIB) with higher energy density are urgently needed. Cathodes play a critical role in determining the energy density of LIB, and the most popular one is Ni-rich cathode due to its high capacity. However, due to the fast structural degradation, Ni-rich cathode materials should be further modified to achieve higher stability. Herein, we introduce bismuth ions in LiNi 0.83 Co 0.11 Mn 0.06 O 2 cathodes by adding Bi 2 O 3 during sintering to optimize the specific capacity and cycle stability. By adding 0.1% mol Bi, the Li + diffusion and structural stability are effectively optimized, leading to improved electrochemical performances. Further, the modified sample delivers much higher specific capacity (222.9 mAhg -1 , 0.05 C) than unmodified sample (204 mAhg -1 , 0.05 C). Meanwhile, the specific capacity of optimized sample after 100 cycles at 0.33 C is 27.75 mAhg -1 higher than that of unmodified sample. Therefore, this work demonstrates that Bi modification can be regarded as a possible solution to optimizing the electrochemical performance of Ni-rich cathodes.

25 ENERGY STORAGE↗
DOE OSTI2020

Investigating the Interaction Between Circulating Tumor Cells and Local Hydrodynamics via Experiment and Simulations

Introduction: The biological and mechanical properties of circulating tumor cells (CTCs) in combination with the hemodynamics affect the preference of metastatic sites in the vasculature. Despite the extensive literature on the effects of biological properties on cell adhesion, the effects of hydrodynamic forces on primary attachment remains an active area of research. Here, using simulations in conjunction with experimentation, we provide new insight into the interplay of CTCs dynamics and local hydrodynamics. Methods: A flow experiment of CTC attachment was performed within a bioprinted, double branching endothelialized vessel. Simulations of fluid flow and CTC transport in the reconstructed and idealized bifurcated vessel were respectively performed by HARVEY, our in-house massively parallel computational fluid dynamics solver. HARVEY is based on the lattice Boltzmann and finite element methods to model the fluid and cells dynamics. The immersed boundary method is employed for resolving the fluid–structure interaction. Results: CTC attachment was quantified experimentally at all regions of the complex vessel. The results demonstrate a clear preference for CTCs to attach at the branch points. To elucidate the effect of the vessel topology on the location of attachment, a fluid-only simulation was performed assessing the differences in the hydrodynamics along the vessel. CTC transport in idealized bifurcated vessels was subsequently studied to examine the effects of cell deformability on the local hydrodynamics patterns and, thus, the preference of attachment sites. Conclusions: The current work provides evidence on the correlation of the hydrodynamics forces arising from the vessel topology and CTC properties on the attachment regions.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1981

Anisotropic tribological properties of silicon carbide

The effects of crystallographic orientation on the tribological properties of single-crystal silicon carbide surfaces in contact with various solids are investigated for adhesive and abrasive wear processes. In the adhesive wear process, the adhesion and wear of silicon carbide is found to be markedly dependent on crystallographic orientation. The force resisting shearing fracture of the adhesive bonds at the interface is lower in preferred crystallographic direction of slip. In the abrasive wear process, the 1 0 -1 0 direction on the basal plane of silicon carbide exhibits the lowest coefficient of friction and the greatest resistance to abrasion.

Miyoshi, K.↗
DOE OSTI2023

Relativistic Effects From Coupled-Cluster Theory

We discuss the theory and computational challenges of the relativistic coupled-cluster methods. Example calculations of heavy-atom-containing molecules are then presented to demonstrate the importance of scalar-relativistic, spin-orbit coupling, and electron-correlation effects on molecular properties as well as the applicability and usefulness of relativistic coupled-cluster methods in calculations aiming at high-accuracy results. Here, a unique applicability of the spinor-based relativistic coupled-cluster methods is also highlighted using the calculations of open shell actinide-containing small molecules. As a result, a summary is given together with an outlook into future developments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Luminosity effects and the emission-line properties of quasars with 0 less than z less than 3.8

We present data and a spectral atlas for 76 quasars with 2.97 less than z less than 3.80 and for 33 quasars with z approximately 2, together with measures of 73 quasars from the IUE archives that mostly have z less than 1. The quasars provide a sampling of the luminosity-redshift plane at constant luminosity for 0 less than z less than 3.8, a range of a factor of 40 in luminosity for 3 less than z less than 3.8, and a range of 10(exp 3) in luminosity for z less than 1. We investigate the behavior of the principle emission lines from 1200-2000 A and find: (1) The Baldwin effect at z greater than 3 is definitely present in the C IV lambda 1549 line and in the other strong emission lines in varying degrees except for N v lambda-lambda(1240) and 1400, where the effect is very weak. (2) The component that varies with luminosity has a narrower full width at half maximum (FWHM) than the average line width and appears consistent with the first component of the principal component analysis of the Large Bright Quasar Survey sample by Francis et al. (1992). (3) There is no evidence for redshifted-dependent spectral changes, Baldwin or otherwise, in quasars of the same luminosity in the z approximately 2 and z greater than 3 samples. (4) The Baldwin effect in the IUE, z approximately 2, and z greater than 3 subsamples joins smoothly, although the slope of the effect steepens with increasing luminosity. (5) The results are consistent with the ionization parameter decreasing with increasing luminosity. (6) The large ratio of N v to Ly-alpha and its small change with luminosity are consistent with the arguments of Hamann & Ferland (1993a, b) that the N/C ratio is enhanced in high-luminosity quasars with z greater than 3.

Osmer, Patrick S.↗
NASA NTRS1977

Analytical study of effects of surface and environmental thermal properties on moisture in composites

The influence of surface and environmental thermal properties on the moisture absorption in fiber-reinforced polymeric-resin-matrix composite materials which have been subjected to convection and solar radiation was studied. Predicted moisture contents based on the conditions at the heated surface and in the ambient air were compared for both short term and long term exposures over a wide range of values for emittance, solar absorptance, convective heat transfer coefficient, solar radiation, ambient temperature, and orientation of the surface with respect to the sun. The calculations showed that absorptance and heat transfer coefficient have significant effects on the moisture content.

Tompkins, S. S.↗
NASA NTRS1992

Two-dimensional stability of laminar flames

The stability of laminar flames was studied numerically and the dependence of stability on finite rate chemistry with low activation energy and variable thermodynamic and transport properties was addressed. The calculations show that activation energy and details of chemistry play a minor role in altering the linear neutral stability results from asymptotic analysis. Variable specific heat makes a marginal change to the stability; variable transport properties, on the other hand, tend to substantially enhance the stability from a critical wave number of about 0.50 to 0.20. Also, the effects of variable properties tend to nullify the effects of nonunity Lewis number. When the Lewis number of a single species is different from unity, as is true in a hydrogen-air premixed flame, the stability results remain close to that of unity Lewis number.

Mukunda, H. S.↗
NASA NTRS1992

The effect of spatial resolution upon cloud optical property retrievals. I - Optical thickness

High spectral and spatial resolution Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) imagery is used to study the effects of spatial resolution upon fair weather cumulus cloud optical thickness retrievals. As a preprocessing step, a variation of the Gao and Goetz three-band ratio technique is used to discriminate clouds from the background. The combination of the elimination of cloud shadow pixels and using the first derivative of the histogram allows for accurate cloud edge discrimination. The data are progressively degraded from 20 m to 960 m spatial resolution. The results show that retrieved cloud area increases with decreasing spatial resolution. The results also show that there is a monotonic decrease in retrieved cloud optical thickness with decreasing spatial resolution. It is also demonstrated that the use of a single, monospectral reflectance threshold is inadequate for identifying cloud pixels in fair weather cumulus scenes and presumably in any inhomogeneous cloud field. Cloud edges have a distribution of reflectance thresholds. The incorrect identification of cloud edges significantly impacts the accurate retrieval of cloud optical thickness values.

Feind, Rand E.↗
NASA NTRS1975

Effect of service usage on tensile, fatigue, and fracture properties of 7075-T6 and 7178-T6 aluminum alloys

A study has been made to determine the effects of extensive service usage on some basic material properties of 7075-T6 and 7178-T6 aluminum alloy materials. The effects of service usage were determined by comparing material properties for new material (generally obtained from the literature) with those for material cut from the center wing box of a C-130B transport airplane with 6385 flight-hours of service. The properties investigated were notched and unnotched fatigue strengths, fatigue-crack-growth rate, fracture toughness, and tensile properties. For the properties investigated and the parameter ranges considered (crack length, stress ratio, etc.), the results obtained showed no significant difference between service and new materials.

Everett, R. A., Jr.↗
NASA NTRS1985

Effect of Undercooling and Modified Microstructure on the Physical Properties of Material Synthesized in the Drop Tube and Drop Tower

The effects of undercooling and modified microstructure on the physical properties of synthesized materials were investigated. The objectives of this program are: (1) to determine the possible existence of metastable phases and novel physical processes on material prepared in a microgravity environment; and (2) to investigate the feasibility of fabricating advanced electronic devices using material with microstructures obtainable in a microgravity environment. The specific alloys and compounds under study are Au-Ge and immiscible alloys Nb-Ge compounds, and Ga-Bi immiscible alloys, and Ba-Pb-Bi-O. The superconducting and normal state transport properties of the materials under different pressures and in different magnetic fields were determined. The simultaneous study on the physical properties and the microstructure of material will provide information about the potential applications of materials processed in a microgravity environment.

Chu, C. W.↗
DOE OSTI2021

Adsorbate Partition Functions via Phase Space Integration: Quantifying the Effect of Translational Anharmonicity on Thermodynamic Properties

A new method for computing anharmonic thermophysical properties for adsorbates on metal surfaces is presented. Classical Monte Carlo phase space integration is performed to calculate the partition function for the motion of a hydrogen atom on Cu(111). Here, a minima-preserving neural network potential energy surface is used within the integration routine. Two different sampling schema for generating the training data are presented, and two different density functionals are used. The results are benchmarked against direct state counting results by using discrete variable representation. The phase space integration results are in excellent quantitative agreement with the benchmark results. Additionally, both the discrete variable representation and the phase space integration results confirm that the motion of H on Cu(111) is highly anharmonic. The results were applied to calculate the free energy of dissociative adsorption of H 2 and the resulting Langmuir isotherms at 400, 800, and 1200 K in a partial pressure range of 0–1 bar. It shows that the anharmonic effects lead to significantly higher predicted surface site fractions of hydrogen.

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

The Effect of Hydrothermal Alteration and Microcracks on Hydraulic Properties and Poroelastic Deformation: A Case Study of the Blue Mountain Geothermal Field

Abstract Geothermal energy plays a vital role in decarbonizing electricity and heat supply. Effective utilization of geothermal resources hinges on identifying or generating permeable reservoir zones and understanding how effective pressure variations affect fluid circulation and reservoir properties by poroelastic deformation. Hydrothermal alteration can modify the petrophysical properties of geothermal reservoir rocks, which may increase or decrease its productivity. Understanding these alteration effects is essential to predict and optimize long‐term sustainable geothermal operations. Here, we investigate the impact of hydrothermal alteration on poroelastic and hydraulic properties of diverse lithologies in a series of deformation tests performed at several confining (0–80 MPa) and pore pressure (10–30 MPa) levels. Experimental results of hydrothermally altered dikes and phyllites obtained from the Blue Mountain geothermal field (Nevada, USA) are compared to thermally cracked La Peyratte granite (France) and correlated with petrophysical properties, mineral composition, and microstructures. Argillic alteration of dikes increases porosity and storage capacity but lowers thermal conductivity and increases pore compressibility. Conversely, silicate precipitation in phyllites increases stiffness and thermal conductivity but also reduces porosity and permeability. Experimentally determined effective pressure coefficients range from 0.1 to 0.9, differ for permeability and volumetric strain and decrease with increasing effective pressure. The presence of compliant microcracks and crack‐like pores significantly increases the stress sensitivity of La Peyratte granite and silicified phyllites. This study demonstrates how thermal and chemical alteration impacts poromechanical and petrophysical characteristics of geothermal targets, which ultimately govern reservoir stability and subsidence, induced seismicity as well as fluid and heat extraction efficiency during geothermal operations.

Schuster, Valerian [Helmholtz Centre Potsdam GFZ G↗
NASA NTRS1990

Initial evaluation of continuous fiber reinforced NiAl composites

NiAl is being evaluated as a potential matrix material as part of an overall program to develop and understand high-temperature structural composites. Currently, continuous fiber composites have been fabricated by the powder cloth technique incorporating either W(218) or single crystal Al2O3 fibers as reinforcements in both binary NiAl and a solute strengthened NiAl(.05 at. pct Zr) matrix. Initial evaluation of these composite systems have included: fiber push-out testing to measure matrix/fiber bond strengths, bend testing to determine strength as a function of temperature and composite structure, and thermal cycling to establish the effect of matrix and fiber properties on composite life. The effect of matrix/fiber bond strength and matrix strength on several composite properties will be discussed.

Noebe, R. D.↗