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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

The influence of CO ice on the activity and the near-surface differentiation of comet nuclei

A comet nucleus model whose composition is a homogeneous mixture of water ice, CO ice, and dust, in a Halley-type orbit, is presently used to investigate the role of unclathrated CO ice in the activity and near-surface differentiation of comet nuclei. Temperatures of water and CO ice surfaces, CO gas and water steam fluxes, and depths of CO ice, are presented as functions of orbital position. It is determined that CO ice should always exist within 3 m of the surface; CO gas production exceeds water steam production beyond 2.5 AU, with consequences for the planned in situ elemental analysis of nuclei.

Fanale, Fraser P.↗
NASA NTRS1991

Production of organic compounds in plasmas: A comparison among electric sparks, laser-induced plasmas and UV light

In order to study the production of organic compounds in plasmas (and shocks), various mixtures of N2, CH4, and H2, modeling the atmosphere of Titan, were exposed to discrete sparks, laser-induced plasmas (LIP) and ultraviolet light. The yields of HCN and simple hydrocarbons were measured and compared to those calculated from a simple quenched thermodynamic equilibrium model. The agreement between experiment and theory was fair for HCN and C2H2. However, the yields of C2H6 and other hydrocarbons were much higher than those predicted by the model. Our experiments suggest that photolysis by ultraviolet light from the plasma is an important process in the synthesis. This was confirmed by the photolysis of gas samples exposed to the light, but not to the plasma or shock waves. The results of these experiments demonstrate that, in addition to the well-known efficient synthesis of organic compounds in plasmas, the yields of saturated species, e.g., ethane, may be higher than predicted by theory and that LIP provide a convenient and clean way of simulating planetary lightning and impact plasmas in the laboratory.

Scattergood, T. W.↗
NASA NTRS1993

Compositional and textural information from the dual inversion of visible, near and thermal infrared remotely sensed data

A technique is presented that allows extraction of compositional and textural information from visible, near and thermal infrared remotely sensed data. Using a library of both emissivity and reflectance spectra, endmember abundances and endmember thermal inertias are extracted from AVIRIS (Airborne Visible and Infrared Imaging Spectrometer) and TIMS (Thermal Infrared Mapping Spectrometer) data over Lunar Crater Volcanic Field, Nevada, using a dual inversion. The inversion technique is motivated by upcoming Mars Observer data and the need for separation of composition and texture parameters from sub pixel mixtures of bedrock and dust. The model employed offers the opportunity to extract compositional and textural information for a variety of endmembers within a given pixel. Geologic inferences concerning grain size, abundance, and source of endmembers can be made directly from the inverted data. These parameters are of direct relevance to Mars exploration, both for Mars Observer and for follow-on missions.

Brackett, Robert A.↗
NASA NTRS1998

Physics of Interplanetary Dust Collection with Aerogel

This report presents the results of research undertaken to study various problems associated with hypervelocity capture of dust particles in aerogel. The primary topics investigated were the properties of shocked aerogel and the requirements for reliable capture of particles on the STARDUST mission. In particular, the viscosity of shocked aerogel has been an open question. The results presented here suggest that the viscosity of aerogel at high impact velocities is negligible, although there remains some uncertainty about lower velocities. The model adopted for viscosity treats the mixture of polymeric silica and decomposition products and finds that, for particle velocities of 6-7 km/s, the viscosity is similar to that typical of light gasses at STP. Expressions for the Hugoniot of aerogel as a function of density were also obtained from the available data. All aerogels of interest for cosmic dust collectors have very similar shock velocity-particle velocity Hugoniot curves. The strength behavior of aerogel for low-speed penetration was measured, but further work is needed to study the proper way to apply this to the issue of terminal deceleration of a dust particle. Preliminary calculations designed to maximize the penetration depths were performed to determine the required density of aerogel to reliably stop a particle in a 3 cm thickness of aerogel (the path length expected for a normal impact into the STARDUST collector). In order to stop a particle of density rho(sub p) and diameter d(sub p), the mean density of the aerogel collector should be no less than that given by the expression bar rho(sub 0) = 1.085 X 10(exp -4 )rho(sub p)d(sub p), for densities measured in g/ cu cm and the particle diameter measured in micrometers.

Anderson, William W.↗
NASA NTRS2000

Creep and Toughness of Cryomilled NiAl Containing Cr

NiAl-AlN + Cr composites were produced by blending cryomilled NiAl powder with approx. 10 vol % Cr flakes. In comparison to the as-consolidated matrices, hot isostatically pressed Cr-modified materials did not demonstrate any significant improvement in toughness. Hot extruded NiAl-AlN+10.5Cr, however, possessed a toughness twice that determine for the base NiAl-AlN alloy. Measurement of the 1200 to 1400 K plastic flow properties revealed that the strength of the composites was completely controlled by the properties of the NiAl-AlN matrices. This behavior could be successfully modeled by the Rule-of-Mixtures, where load is shed from the weak Cr to the strong matrix.

Whittenberger, J. Daniel↗
NASA NTRS1998

Theoretical Studies of Starburst Infrared Emission: Luminosity Indicators in Dusty Photoionized Environments

The luminosity of the central source in ionizing radiation is an essential parameter in a photoionized environment and is one of the most fundamental physical quantities one can measure. We outline a method of determining the luminosity for any emission-line region using only infrared data. In dusty environments, grains compete with hydrogen in absorbing continuum radiation. Grains produce infrared emission, and hydrogen produces recombination lines. We have computed a very large variety of photoionization models, using ranges of abundances, grain mixtures, ionizing continua, densities, and ionization parameters. The conditions were appropriate for such diverse objects as H(II) regions, planetary nebulae, starburst galaxies, and the narrow- and broad-line regions of active nuclei. The ratio of the total thermal grain emission relative to H-Beta (IR/H-Beta) is the primary indicator of whether the cloud behaves as a classical Stroemgren sphere (a hydrogen-bounded nebula) or whether grains absorb most of the incident continuum (a dust-bounded nebula). We find two global limits: when IR/H-Beta < 100, infrared recombination lines determine the source luminosity in ionizing photons; when IR/H-Beta >> 100, the grains act as a bolometer to measure the luminosity.

Bottorff, Mark↗
NASA NTRSDate not supplied

Hierarchical Multiscale Process Modeling of A Textile Composite Y-Joint for the Aurora D8 Aircraft

Woven polymer matrix composites (PMCs) are widely used in aerospace applications for their favorable specific properties. However, the behavior of the inter- and intra-tow matrix during manufacturing of woven PMCs is difficult to isolate experimentally due to geometric and processing complexities. Classical closed-form homogenization approaches allow for composite thermos-chemo-mechanical properties to be characterized at any fiber volume fraction. In this work, virtual curing is applied to the inter- and intra-tow matrix materials of a plain weave repeating unit cell (RUC). Thermo-chemo-mechanical property evolution within the tows is calculated using the Concentric Cylinder Model (CCM) and the Rule of Mixtures (ROM). Curing is implemented through user-written subroutines within the commercial finite element method software Abaqus. Virtual curing results are compared with those from a linear-elastic thermal cool down simulation in Abaqus. Results indicate that tow property evolution during curing has a non-negligible effect on the final stress state.

curing↗
DOE OSTI2024

Chemical Reactivity Through Adaptive Quantum Mechanics/Many-Body Representations: Theoretical Development, Software Implementation, and Applications (Final Report)

The main objective of this research project was the development and application of a new theoretical/computational framework to model chemical transformations and electronic excitations in fluid mixtures across different phases. Our theoretical/computational framework combines our data-driven many-body (DD-MB) potentials representing molecular interactions with adaptive schemes for modeling chemical reactions in solution. The combination of these two components resulted in an adaptive quantum mechanics/many-body (adQM/MB) method that largely suppresses discontinuities between QM and MM regions, which affect existing QM/MM methods, and thus provides an accurate representation of both quantum mechanical and environmental effects through a rigorous description of mutual polarization between QM and MM regions. The implementation of our DD-MB potentials and adQM/MB method in popular software enabled computer simulations of solvation phenomena, reactive processes, and electronic excitations in fluid mixtures with chemical and spectroscopic accuracy, representing a major step toward realistic computer simulations of a wide range of molecular systems relevant to the DOE mission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Co-transport of water and p-xylene through carbon molecular sieve membranes

Carbon molecular sieve (CMS) materials are a potential candidate for scalable and high-performance reverse osmosis membranes due to their impressive chemical and thermal stabilities. Moreover, they have the potential to enable impressive rejections of small neutral solutes from water based on their known ability to separate small organic molecules. CMS has been extensively examined for gas and organic solvent separations, but the transport of organic and aqueous mixtures through CMS microstructures is poorly understood. In this work, we investigated the sorption, diffusion, and permeation behavior of organic compounds and water in poly(vinylidene fluoride)(PVDF)-derived CMS (PVDF-CMS). Experimental observations of diffusion, sorption, and permeation shows how the properties of penetrants such as polarity and molecular size affect the transport rates and selectivity. These basic transport and sorption parameters are utilized in sorption-diffusion models to permeation rates of water-organic mixtures in CMS membranes. The transport of water and p-xylene in CMS was experimentally confirmed to follow the sorption-diffusion mechanism. The sorption-diffusion model ideal permselectivity indicates that the CMS is p-xylene selective over water. Water/p-xylene mixture permeation experiments revealed an increased selectivity of p-xylene over water, thus providing tentative evidence for a competitive sorption-selective separation mechanism. Furthermore, this work suggests that CMS membranes exhibit organic-permeable separation properties in water/organic separations. The results presented here highlight the potential for the removal of dilute organics in water via CMS pervaporation membranes.

02 PETROLEUM↗
NASA NTRS1989

Experimental studies of gas trapping in amorphous ice and thermal modelling of comets: Implications for Rosetta

The trapping of mixtures of CO, CH4, N2 and Ar in amorphous water ice was studied experimentally. It is shown that the ice particles could not have been formed at a higher temperature and, subsequently, cool down. Experiments where ice was deposited at elevated temperatures, then cooled down and gas was flowed into the ice, showed that the amount of trapped gas depends only on the highest temperature at which the ice was formed, or resided, prior to cooling and gas flow into it. Consequently, the cometary ice had to be formed at approx. 48 K and the ice is therefore amorphous. The thermal profile of a comet in Halley's orbit was calculated, including the build-up of an insulating dust layer. It was found that an insulating dust layer a few cm thick is enough to choke most of the water emission from the surface. A similar thermal model was calculated for comet P/Temple-1, a candidate for both CRAF and Rosetta (CNSR) missions. The temperature at a depth of 10 m is approx. 160 K for all models considered and, hence, the ice at this depth is crystalline. A crystalline ice layer 40 to 240 m thick was found to overly the gas-laden amorphous ice. Consequently, it should be difficult for the probes of the two comet missions to sample pristine amorphous ice, unless they are aimed at the bottom of an active crater.

Bar-Nun, Akiva↗
DOE OSTI2023

Autoignition of cyclohexane at low-to-intermediate temperatures: Rapid compression machine experiments and improved comprehensive chemical kinetic model

Cycloalkanes are an important class of hydrocarbons found in conventional and alternative transportation fuels. Being one of the simplest practical cycloalkanes, cyclohexane is often used as a surrogate in studies to understand the oxidation, ignition, and sooting characteristics of cycloalkanes more broadly. Although cyclohexane has been extensively studied, very limited datasets for cyclohexane oxidation at low-to-intermediate temperatures are available in the literature. Moreover, the literature autoignition data from rapid compression machines (RCMs) did not provide information on volume histories or experimental heat transfer characteristics which can significantly impact model predictions, thereby hindering the detailed validation of chemical kinetic models. It has also been observed that the cyclohexane kinetic models developed so far are not able to predict the literature data across a wide range of operating and mixture conditions. Hence, further studies are recommended to understand and improve model predictions for cyclohexane oxidation. In this study, RCM experiments were conducted using cyclohexane/air mixtures at varying compressed pressures (P C =15, 20, and 30 bar), equivalence ratios (ϕ=0.5, 1.0, and 2.0), and compressed temperatures (T C =670–960 K). The current RCM results of cyclohexane were found to complement well with the literature data, with the first-stage IDTs at high pressures and volume histories at all test conditions being first reported for better development and validation of chemical kinetic models. Additionally, a detailed chemical kinetic model for the cyclohexane oxidation has been developed and validated using both newly acquired experimental IDTs in this study and literature experimental studies (IDTs in RCMs and STs, species profiles in jet-stirred reactors, and laminar burning velocities). Unlike literature models, the proposed model was observed to provide an overall better prediction for experimental results over a wide range of conditions. Chemical kinetic analysis of the developed model was further conducted to identify the reaction pathways controlling the autoignition of cyclohexane.

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

Modeling hydraulic fracture opening and closure with proppant transport and settlement

Hydraulic fracturing is a widely used reservoir stimulation technique for improving fluid circulation in rock formations with extremely low permeability, particularly in enhanced geothermal systems (EGS). To better understand the complex processes involved and improve hydraulic stimulation performance, we have developed ELK (ELectrical fracKing), a MOOSE-based 3D finite element application designed to model the behavior of proppant-fluid mixtures in propagating fractures. ELK integrates both the fluid and proppant components, incorporating particle-driven processes such as gravity settling, particle-particle interactions, and strong density and viscosity contracts, in addition to conventional fluid-driven fracture propagation. In this contribution, we extend ELK to model propped fracture closure, which occurs after the injection phase due to a dramatic drop in the effective stress on the fracture plane. During the shut-in, flowback, and production periods, the fracture width decreases, with the closure behavior depending on proppant concentration.. At low concentrations, closure follows a nonlinear joint law linked to the stiffness of asperities in the fracture walls. While at high concentrations, it is controlled by the properties of packed proppant bed. The extended ELK application is validated against several benchmark examples, including the propagation of an inclined frictional crack, fracture opening and sliding in response to fluid injection, and flowback analysis. We believe that ELK’s enhanced capabilities can serve as a valuable tool for the design and optimization of EGS deployment.

15 - GEOTHERMAL ENERGY↗
NASA NTRS1991

Spectroscopy and reactivity of mineral analogs of the Martian soil

To answer the question of why life occurred on Earth but not on Mars requires a study of the geochemical and physical aspects of the Martian soil. Some of the best Mars analog mineral models of the soil have been prepared and justified according to known constraints of chemical composition, reflectance spectroscopy, and chemical reactivity. Detailed laboratory reflectance spectra in the ultraviolet, visible, and near infrared (.30 to 2.5 microns) and the infrared (2.5 to 25 microns) regions have been obtained for the pure candidate minerals and some analog mixtures and compared to Mars reflectance spectra. Modeling of the reflectance spectra from optical constraints determined for the analog minerals has begun and will be interpreted in terms of the effects of particle size variation, component mixing, and soil packing upon remotely sensed reflectance spectra. This has implications not only for Mars, but for other planets and planetoids. The ratio of Fe(II)/Fe(III) in the Martian soil analog materials on spectral reflectance in the visible range has begun, and the results will be evaluated according to conformity with the visible Mars reflectance spectrum. Some initial LR and GEX data have been collected for the mineral samples and their mixtures, which can be compared with the Viking data and interpreted in terms of the redox (Fe(II)/Fe(III) environment.

Banin, A.↗
NASA NTRS1976

Interior models of Jupiter

Understanding the interior of Jupiter depends upon our knowledge of the thermodynamics and transport properties of hydrogen-helium mixtures at high pressures and temperatures. The current status of this knowledge is reviewed, and attention is given to the metallic-molecular hydrogen transition and the limited solubility of helium in hydrogen. Models of Jupiter are constructed which are consistent with all the observations to date, but which make various assumptions about the thermodynamics and composition of the interior. These models typically consist of a rocky core surrounded by a nearly-solar fluid mixture. In contrast to the models of Podolak and Cameron, a large enhancement of water or helium is not found to be essential. It is concluded that further progress in constructing interior models requires a better understanding of the thermodynamics of dense molecular hydrogen.

Stevenson, D. J.↗
DOE OSTI2025

Effect of Solvents on Lignin–Surface Interactions via Molecular Dynamics Simulations

Lignin, an essential building block of lignocellulosic biomass, is a potential abundant source of aromatic monomers for the polymer and chemical industry. Reductive catalytic fractionation (RCF) is one promising process that can produce high yields of phenolic monomers and oligomers from lignin under different catalytic conditions. An important choice in optimizing RCF is the selection of solvent; however, detailed insights into solvent effects on lignin behaviors and interactions remain limited. Here, in this work, we perform all-atom molecular dynamics simulations to study the solvation of lignin, solvent-mediated conformational changes, and the interaction of solvated lignin oligomers with model surfaces. We focus on the behavior of an oligomeric lignin model compound in methanol, ethanol, a binary mixture of ethanol and water, and water at both the RCF reaction temperature (473 K) and room temperature. Analysis of structural features of lignin suggests that these three organic solvent systems favorably solvate lignin, resulting in a more extended conformation suitable for catalytic conversion to valuable chemicals. We further introduce model palladium (Pd) and carbon (C) surfaces to understand how solvent choice impacts adsorption onto a representative catalytic surface and support, and to quantify the competition among the reactant and solvent molecules for the surface. Unbiased simulations suggest strong adsorption of lignin on both Pd and C surfaces at 473 K, with notable solvent-mediated differences in adsorption energies. Additionally, our findings indicate that lignin adsorption is promoted by the entropy change resulting from the displacement of solvent molecules from the surface. This study provides a molecular perspective of adsorption of lignin onto varying surfaces, which is a step towards understanding and optimizing the catalytic conversion of lignin into valuable chemicals.

adsorption↗
NASA NTRS2016

Fitting a Model to Floating Gate Prompt Charge Loss Test Data for the Samsung 8 Gb SLC NAND Flash Memory

A recent model provides risk estimates for the deprogramming, of initially programmed floating gates, via prompt charge loss produced by an ionizing radiation environment. The environment can be a mixture of electrons, protons, and heavy ions. The model requires several input parameters. Parameters intended to produce conservative risk estimates for the Samsung 8 Gb SLC NAND flash memory are given, subject to some qualifications.

Edmonds, L. D.↗
NASA NTRS2013

Iodine Tagging Velocimetry and Mechanism in the Hypersonic Near Wake of a MultiPurpose Crew Vehicle

This study demonstrates a new molecular tagging velocimetry (MTV) method for velocity measurements of high speed flow. It demonstrates offbody Iodine Tagging Velocimetry (ITV) in the hypersonic near wake of a MultiPurpose Crew Vehicle (MPCV) model. Experiments are performed in the NASA-Langley 31-inch Mach 10 air wind tunnel. A 0.5% I2 / N2 mixture is seeded on the leeward backshell of the model using a pressure tap. I2 laser-induced fluorescence is excited along a 5.5 mm line using an ArF excimer laser near 193 nm. Results indicate I2 absorbs at least 2 photons to produce iodine ions and electrons. These recombine as the tagged region is displaced downstream to produce I (2P3/2) whose emission is monitored at 206 nm. Results at P0 = 2.41 MPa (350 psi), T0 = 990K, and 10 micro-sec transit times produce velocities from 630-820 m/sec across the I2 seeded jet at a distance of 38.2 mm (25.5 jet diameters) downstream from the jet orifice. Maximum wake jet velocities near the shear layer are 59% of freestream velocity.

Balla, R. Jeffrey↗
DOE OSTI2022

Numerical and experimental investigation of the flame kernel growth in a methane/air mixture near the lean flammability limit

Lean combustion has the potential to improve the thermal efficiency of spark-ignition engines, but it faces the significant challenge of increased cycle-to-cycle variation due to low mixture reactivity and unstable flame dynamics. Computational fluid dynamics (CFD) employing predictive models can guide engine design and optimize operating strategies for lean combustion. However, ignition and combustion models have rarely been validated at fuel-lean conditions, and a fundamental understanding of the early flame kernel growth process is also lacking for a successful sub-model development. Here, the present study develops a numerical simulation framework used to investigate early flame kernel growth in methane/air mixtures. A nanosecond-pulsed discharge (NPD) approach is employed to effectively decouple the flame kernel growth from the electrical discharge due to their difference in timescales, and equivalence ratios near the experimentally measured lean flammability limit (LFL) are selected to focus on challenging mixture conditions. Three numerical investigations, such as the choice of turbulence modeling, grid size, and grid control strategies, are examined to match both LFL and flame kernel structure measured from experiments. It is demonstrated that a quasi-direct numerical simulation (QDNS) with a fixed grid embedding of 10 μm can predict the LFL as φ CFD =0.61 and match the displacement speed of the kernel’s boundary marked in schlieren images. To predict the LFL and flame kernel shape, a fine grid (Δ≤12.5 μm) is needed to capture the consumption of formaldehyde (CH 2 O) in kernel’s reaction branches attached to the anode, and adaptive mesh refinement is replaced with the fixed embedding due to loss of simulation accuracy. Also, it is found that a large-eddy simulation (LES) using the Dynamic Structure model is not suitable for the NPD-induced flame kernel simulation because artificial sub-grid turbulent kinetic energy induced by shock dynamics alters the flow velocity calculation, resulting in divergence of LES from QDNS. Lastly, the simulation well matches the experimental data for the flame kernel evolution in three mixture conditions (φ = 0.7, 0.61, 0.55), showing toroidal flame kernel expansion and flame kernel growth/extinction.

33 ADVANCED PROPULSION SYSTEMS↗