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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Bridging Scales in Bioenergy and Catalysis: A Review of Mesoscale Modeling Applications, Methods, and Future Directions

Between the molecular and reactor scales, which are familiar to the chemical engineering community, lies an intermediate regime, here termed the “mesoscale,” where transport phenomena and reaction kinetics compete on similar time scales. Bioenergy and catalytic processes offer particularly important examples of mesoscale phenomena owing to their multiphase nature and the complex, highly variable porosity characteristic of biomass and many structured catalysts. In this review, we overview applications and methods central to mesoscale modeling as they apply to reaction engineering of biomass conversion and catalytic processing. A brief historical perspective is offered to put recent advances in context. Applications of mesoscale modeling are described, and several specific examples from biomass pyrolysis and catalytic upgrading of bioderived intermediates are highlighted. Methods including reduced order modeling, finite element and finite volume approaches, geometry construction and import, and visualization of simulation results are described; in each category, recent advances, current limitations, and areas for future development are presented. Owing to improved access to high-performance computational resources, advances in algorithm development, and sustained interest in reaction engineering to sustainably meet societal needs, we conclude that a significant upsurge in mesoscale modeling capabilities is on the horizon that will accelerate design, deployment, and optimization of new bioenergy and catalytic technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Non-Equilibrium Thermodynamic Chemistry and the Composition of the Atmosphere of Mars

A high priority objective of the Mars Exploration Program is to Determine if life exists today (MEPAG Goal I, Objective A). The measurement of gases of biogenic origin may be an approach to detect the presence of microbial life on the surface or subsurface of Mars. Chemical thermodynamic calculations indicate that on both Earth and Mars, certain gases should exist in extremely low concentrations, if at all. Microbial metabolic activity is an important non-equilibrium chemistry process on Earth, and if microbial life exists on Mars, may be an important nonequilibrium chemistry process on Mars. The non-equilibrium chemistry of the atmosphere of Mars is discussed in this paper.

J S Levine↗
DOE OSTI2024

Enhancing monolignol ferulate conjugate levels in poplar lignin via OsFMT1

The phenolic polymer lignin is one of the primary chemical constituents of the plant secondary cell wall. Due to the inherent plasticity of lignin biosynthesis, several phenolic monomers have been shown to be incorporated into the polymer, as long as the monomer can undergo radicalization so it can participate in coupling reactions. In this study, we significantly enhance the level of incorporation of monolignol ferulate conjugates into the lignin polymer to improve the digestibility of lignocellulosic biomass. Overexpression of a rice Feruloyl-CoA Monolignol Transferase (FMT), OsFMT1, in hybrid poplar (Populus alba x grandidentata) produced transgenic trees clearly displaying increased cell wall-bound ester-linked ferulate, p-hydroxybenzoate, and p-coumarate, all of which are in the lignin cell wall fraction, as shown by NMR and DFRC. We also demonstrate the use of a novel UV–Vis spectroscopic technique to rapidly screen plants for the presence of both ferulate and p-hydroxybenzoate esters. Lastly we show, via saccharification assays, that the OsFMT1 transgenic poplars have significantly improved processing efficiency compared to wild-type and Angelica sinensis-FMT-expressing poplars. The findings demonstrate that OsFMT1 has a broad substrate specificity and a higher catalytic efficiency compared to the previously published FMT from Angelica sinensis (AsFMT). Importantly, enhanced wood processability makes OsFMT1 a promising gene to optimize the composition of lignocellulosic biomass.

09 BIOMASS FUELS↗
NASA NTRS1997

Geotail MCA Plasma Wave Investigation Data Analysis

The primary goals of the International Solar Terrestrial Physics/Global Geospace Science (ISTP/GGS) program are identifying, studying, and understanding the source, movement, and dissipation of plasma mass, momentum, and energy between the Sun and the Earth. The GEOTAIL spacecraft was built by the Japanese Institute of Space and Astronautical Science and has provided extensive measurements of entry, storage, acceleration, and transport in the geomagnetic tail and throughout the Earth's outer magnetosphere. GEOTAIL was launched on July 24, 1992, and began its scientific mission with eighteen extensions into the deep-tail region with apogees ranging from around 60 R(sub e) to more than 208 R(sub e) in the period up to late 1994. Due to the nature of the GEOTAIL trajectory which kept the spacecraft passing into the deep tail, GEOTAIL also made 'magnetopause skimming passes' which allowed measurements in the outer magnetosphere, magnetopause, magnetosheath, bow shock, and upstream solar wind regions as well as in the lobe, magnetosheath, boundary layers, and central plasma sheet regions of the tail. In late 1994, after spending nearly 30 months primarily traversing the deep tail region, GEOTAIL began its near-Earth phase. Perigee was reduced to 10 R(sub e) and apogee first to 50 R(sub e) and finally to 30 R(sub e) in early 1995. This orbit provides many more opportunities for GEOTAIL to explore the upstream solar wind, bow shock, magnetosheath, magnetopause, and outer magnetosphere as well as the near-Earth tail regions. The WIND spacecraft was launched on November 1, 1994 and the POLAR spacecraft was launched on February 24, 1996. These successful launches have dramatically increased the opportunities for GEOTAIL and the GGS spacecraft to be used to conduct the global research for which the ISTP program was designed. The measurement and study of plasma waves have made and will continue to make important contributions to reaching the ISTP/GGS goals and solving the significant problems of sun-earth connections. Plasma waves are involved in the energization and de-energization of plasma and energetic particles via numerous wave-particle interaction processes. Plasma waves in many instances are the source for the heating or cooling of the particles. They can cause particle precipitation by scattering particles into the loss cone. They move particles across boundaries in mass and energy dependent ways. Identifying the waves and the instabilities which produce them are thus crucial for understanding the plasma processes. Wave-particle interaction processes are especially important at various boundaries between the different regions of geospace including the bow shock, magnetopause, and interfaces in the geomagnetic tail between the magnetosheath, lobe, plasmasheet, boundary layers, and neutral sheet. In addition to identifying the characteristics of the instabilities and generation mechanisms encountered, plasma wave measurement are used in conjunction with other fields and particle measurements to identify the region of space the spacecraft is in or the boundary that is being crosed.

Anderson, Roger R.↗
NASA NTRS1989

DeMAID: A Design Manager's Aide for Intelligent Decomposition user's guide

A design problem is viewed as a complex system divisible into modules. Before the design of a complex system can begin, the couplings among modules and the presence of iterative loops is determined. This is important because the design manager must know how to group the modules into subsystems and how to assign subsystems to design teams so that changes in one subsystem will have predictable effects on other subsystems. Determining these subsystems is not an easy, straightforward process and often important couplings are overlooked. Moreover, the planning task must be repeated as new information become available or as the design specifications change. The purpose of this research is to develop a knowledge-based tool called the Design Manager's Aide for Intelligent Decomposition (DeMAID) to act as an intelligent advisor for the design manager. DeMaid identifies the subsystems of a complex design problem, orders them into a well-structured format, and marks the couplings among the subsystems to facilitate the use of multilevel tools. DeMAID also provides the design manager with the capability of examining the trade-offs between sequential and parallel processing. This type of approach could lead to a substantial savings or organizing and displaying a complex problem as a sequence of subsystems easily divisible among design teams. This report serves as a User's Guide for the program.

Rogers, James L.↗
DOE OSTI2024

Hydrologic connectivity and dynamics of solute transport in a mountain stream: Insights from a long-term tracer test and multiscale transport modeling informed by machine learning

The movement of solutes in a watershed is a complex process with multiple interactions and feedbacks across spatial and temporal scales. Modeling the dynamics of solute transport along diverse hydrologic pathways within watersheds – from hillslopes to stream channels and in and out of the hyporheic zones – is challenging but critically important, as these processes integrate and contribute to the biogeochemical functioning of the river corridor up to the river network scale. Here we use results from a long-term network-scale tracer test at the H.J. Andrews experimental forest in western Cascade Mountains, Oregon, USA to inform a multiscale framework for transport in stream corridors. The framework uses a Lagrangian-based subgrid model to represent the effects of hyporheic exchange flow and advective transport at stream network scales. The spatially and temporally resolved stream discharge needed for the transport model is imputed across the river system by an entity-aware long short-term memory network. Modeled concentrations show good agreements with the observations and exhibit power scaling laws indicative of a very wide range of timescales over which hyporheic exchange flow occurs. Our results demonstrate a data-informed modeling framework that links dynamical processes occurring at small scales to a network context to help understand how changes at reach scale cascade into network-scale effects, providing a useful tool for sustainable river basin management.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

Gamma-ray emission and electron acceleration in solar flares

Recent observations have extended the spectra of the impulsive phase of flares to the GeV range. Such high-energy photons can be produced either by electron bremsstrahlung or by decay of pions produced by accelerated protons. In this paper we investigate the effects of processes which become important at high energies. We examine the effects of synchrotron losses during the transport of electrons as they travel from the acceleration region in the corona to the gamma-ray emission sites deep in the chromosphere and photosphere, and the effects of scattering and absorption of gamma rays on their way from the photosphere to space instruments. These results are compared with the spectra from so-called electron-dominated flares, observed by GRS on the Solar Maximum Mission, which show negligible or no detectable contribution from accelerated protons. The spectra of these flares show a distinct steepening at energies below 100 keV and a rapid falloff at energies above 50 MeV. Following our earlier results based on lower energy gamma-ray flare emission we have modeled these spectra. We show that neither the radiative transfer effects, which are expected to become important at higher energies, nor the transport effects (Coulomb collisions, synchrotron losses, or magnetic field convergence) can explain such sharp spectral deviations from a simple power law. These spectral deviations from a power law are therefore attributed to the acceleration process. In a stochastic acceleration model the low-energy steepening can be attributed to Coulomb collision and the rapid high-energy steepening can result from synchrotron losses during the acceleration process.

Petrosian, Vahe↗
NASA NTRS1988

Regelation and ice segregation

Macroscopic processes can have an important effect on the state of regolith water. The two primary mechanisms responsible for the formation of segregated ice on Earth, thermally induced regelation and hydraulic fracturing, are reviewed while their potential importance on Mars is examined. While regelation is the dominant terrestrial process, it requires a warmer and wetter environment than currently exists on Mars. In this respect, the conditions required for hydraulic fracturing are less demanding. In assessing its potential importance on Mars, it is noted that hydraulic fracturing can produce a localized zone of high pressure water that could readily disrupt an overburden of frozen ground. Such a process, it is concluded, may have triggered the release of groundwater that led to the formation of the major outflow channels.

Miller, Robert D.↗
NASA NTRS1993

Determination of cosmic bodies size-velocity distribution by observation of current impacts on Mars

Collisions of cosmic bodies with terrestrial planets involve many physical processes such as deceleration and ablation during their flight through an atmosphere, the impact at a surface accompanied by cratering, melting and evaporation of surface material, generation of shock waves, etc. If body velocity is high enough then a thermal radiation is very important. All these processes on Mars proceed differently than on the other planets because of the low density of its atmosphere. In particular, this leads to the fact that smaller bodies of sizes of the order of 0.1-10 m strike the planet surface without being decelerated and perform some effects which may be detected by equipment placed on a board of artificial satellites, by a network of stations at the surface of Mars and even from the Earth. These observations can be used to determine size-velocity distribution of such bodies in the Solar System. Numerical simulation of the impacts at the surface of Mars have been carried out using two-dimensional gas dynamic code with detailed consideration of the thermal radiative transfer. This work is an extension of our previous paper. We have expanded a range of projectile sizes up to r sub 0 = 100 m. For such a large-scale body, the initial stage of the impact, involving crate ring and ejection of surface material, is very important. Thus, these effects have been taken into account.

Nemchinov, I. V.↗
NASA NTRS1982

Aeolian modification of planetary surfaces

Any planet or satellite having a dynamic atmosphere and a solid surface is subject to aeolian or wind processes. A survey of the solar system shows that earth, Mars, Venus, and possibly Titan meet these criteria. Attention is given to the relevance of aeolian processes to planetary geology, approaches for investigating aeolian processes, observations on Mars, conditions on Venus, and studies of Titan with the aid of the Voyager spacecraft. It is found that aeolian processes play an important role in the modification of the surfaces of earth and Mars. Indirect evidence suggests that Venus and perhaps Titan also may experience aeolian activity. Study of aeolian activity in a planetary context thus affords the opportunity to examine a fundamental process under a wide range of environmental conditions. Each planet can be viewed as a vast natural laboratory.

Greeley, R.↗
NASA NTRS1992

Self-organization via active exploration in robotic applications

We describe a neural network based robotic system. Unlike traditional robotic systems, our approach focussed on non-stationary problems. We indicate that self-organization capability is necessary for any system to operate successfully in a non-stationary environment. We suggest that self-organization should be based on an active exploration process. We investigated neural architectures having novelty sensitivity, selective attention, reinforcement learning, habit formation, flexible criteria categorization properties and analyzed the resulting behavior (consisting of an intelligent initiation of exploration) by computer simulations. While various computer vision researchers acknowledged recently the importance of active processes (Swain and Stricker, 1991), the proposed approaches within the new framework still suffer from a lack of self-organization (Aloimonos and Bandyopadhyay, 1987; Bajcsy, 1988). A self-organizing, neural network based robot (MAVIN) has been recently proposed (Baloch and Waxman, 1991). This robot has the capability of position, size rotation invariant pattern categorization, recognition and pavlovian conditioning. Our robot does not have initially invariant processing properties. The reason for this is the emphasis we put on active exploration. We maintain the point of view that such invariant properties emerge from an internalization of exploratory sensory-motor activity. Rather than coding the equilibria of such mental capabilities, we are seeking to capture its dynamics to understand on the one hand how the emergence of such invariances is possible and on the other hand the dynamics that lead to these invariances. The second point is crucial for an adaptive robot to acquire new invariances in non-stationary environments, as demonstrated by the inverting glass experiments of Helmholtz. We will introduce Pavlovian conditioning circuits in our future work for the precise objective of achieving the generation, coordination, and internalization of sequence of actions.

Ogmen, H.↗
NASA NTRS1998

Computational Studies of the Interaction of H/H2 with Diamond and Silicon Surfaces

The interaction of hydrogen atoms and molecules with diamond and silicon surfaces is important in several important applications. Two areas that we are interested are: 1) tribology (molecular level friction) and 2) the role of H atoms in silicon chemical vapor deposition (CVD). In the tribology area, H atoms can be used to tie off dangling bonds, which otherwise form bonds between adjacent surfaces, and lead to resistance to sliding the surfaces by each other. Processes which are important in understanding molecular level friction include barriers to addition of H/H2 to the surface and barriers to migration of H atoms on the surface. In the silicon CVD area, we have studied the process of H2 elimination from the 100 surface of silicon. Cluster models for the dime surfaces of diamond are presented. The unrelaxed 100 surface has carbene like surface carbon atoms; however, for the relaxed surface these dimerize to give rows of surface dimers and there is a significant amount of p bonding between the radical orbitals of the dimer. The 110 surface has zig-zag rows of carbon atoms with a dangling bond on each carbon atom. These dangling bonds are hybridized away from each other and thus interact less strongly than for the 100 surface. Finally, the 111 surface has surface C atoms arranged in a triangular pattern and the surface dangling bonds are well separated from each other (second nearest neighbor distance) leading to almost no interaction between adjacent dangling bonds. These qualitative features may be quantified by computing the overlap of adjacent dangling bonds in a GVB(pp) calculation. The overlaps are 0.462, 0.292, and 0.016 for the diamond 100, 110, and 111 surfaces, respectively.

Walch, Stephen P.↗
DOE OSTI2020

Composition and Dynamical Processes of Ions in Giant Magnetospheres: The Importance of In Situ Measurements for Advancing the Current Knowledge [Slides]

In this white paper, we emphasize the importance of in situ ion composition measurements provided by plasma mass spectrometers in planetary magnetospheres (Uranus and Neptune) aimed for future planetary missions. We present our current understanding on magnetospheres of Uranus and Neptune that are largely based on Plasma Science Investigation (PLS, faraday cups) and Low Energy Charged Particle (LECP) instrument on Voyager 2 and what measurements need to be made to improve it. We emphasize that the future missions equipped with plasma mass spectrometers must visit these magnetospheres again to advance our current knowledge. Finally, this white paper summarizes key science questions that needs to be addressed which all of them requires a direct ion composition measurements from a plasma spectrometer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2001

Stage Separation Performance Analysis Project

Stage separation process is an important phenomenon in multi-stage launch vehicle operation. The transient flowfield coupled with the multi-body systems is a challenging problem in design analysis. The thermodynamics environment with burning propellants during the upper-stage engine start in the separation processes adds to the complexity of the-entire system. Understanding the underlying flow physics and vehicle dynamics during stage separation is required in designing a multi-stage launch vehicle with good flight performance. A computational fluid dynamics model with the capability to coupling transient multi-body dynamics systems will be a useful tool for simulating the effects of transient flowfield, plume/jet heating and vehicle dynamics. A computational model using generalize mesh system will be used as the basis of this development. The multi-body dynamics system will be solved, by integrating a system of six-degree-of-freedom equations of motion with high accuracy. Multi-body mesh system and their interactions will be modeled using parallel computing algorithms. Adaptive mesh refinement method will also be employed to enhance solution accuracy in the transient process.

Chen, Yen-Sen↗
NASA NTRS2002

Glennan Microsystems Initiative

During the 2001-2002 award period, we performed research on Pt/Ti/bare 6H-SiC and bare 4H-SiC interfaces in order to identify their electronic properties as a function of surface preparation. The overall aim of this work is to optimize the electronic properties of metal contacts to SiC as well as the active SiC material itself as a function of surface preparation and subsequent processing. Initially, this work has involved identifying bare surface, subsurface, and metal induced gap states at the metal-SiC contact and correlating energies and densities of deep levels with Schottky barrier heights. We used low energy electron-excited nanoluminescence (LEEN) spectroscopy, X-ray photoemission spectroscopy (XPS), and Secondary Ion Mass Spectrometry (SIMS) in order to correlate electronic states and energy bands with chemical composition, bonding, and crystal structure. A major development has been the discovery of polytype transformations that occur in 4H-SiC under standard microelectronic process conditions used to fabricate SiC devices. Our results are consistent with the stacking fault generation, defect formation, and consequent degradation of SiC recently reported for state-of-the-art ABB commercial diodes under localized electrical stress. Our results highlight the importance of -optimizing process conditions and material properties - anneal times, temperatures and doping to control such structural changes within epitaxial SiC layers. Thus far, we have established threshold times and temperatures beyond which 4H-SiC exhibits 3C-SiC transformation bands for a subset of dopant concentrations and process conditions. On the basis of this temperature time behavior, we have been able to establish an activation energy of approximately 2.5 eV for polytype transformation and dislocation motion. Work continues to establish the fundamental mechanisms underlying the polytype changes and its dependence on material parameters.

Brillson, Leonard J.↗
NASA NTRS2011

The Importance of Water for High Fidelity Information Processing and for Life

Is water an absolute prerequisite for life? Life depends on a variety of non-covalent interactions among molecules, the nature of which is determined as much by the solvent in which they occur as by the molecules themselves. Catalysis and information processing, two essential functions of life, require non-covalent molecular recognition with very high specificity. For example, to correctly reproduce a string consisting of 600,000 units of information (e.g ., 600 kilobases, equivalent to the genome of the smallest free living terrestrial organisms) with a 90% success rate requires specificity > 107 : 1 for the target molecule vs. incorrect alternatives. Such specificity requires (i) that the correct molecular association is energetically stabilized by at least 40 kJ/mol relative to alternatives, and (ii) that the system is able to sample among possible states (alternative molecular associations) rapidly enough to allow the system to fall under thermodynamic control and express the energetic stabilization. We argue that electrostatic interactions are required to confer the necessary energetic stabilization vs. a large library of molecular alternatives, and that a solvent with polarity and dielectric properties comparable to water is required for the system to sample among possible states and express thermodynamic control. Electrostatic associations can be made in non-polar solvents, but the resulting complexes are too stable to be "unmade" with sufficient frequency to confer thermodynamic control on the system. An electrostatic molecular complex representing 3 units of information (e.g., 3 base pairs) with specificity > 107 per unit has a stability in non-polar solvent comparable to that of a carbon-carbon bond at room temperature. These considerations suggest that water, or a solvent with properties very like water, is necessary to support high-fidelity information processing, and can therefore be considered a critical prerequisite for life.

Hoehler, Tori M.↗
NASA NTRS1989

An intelligent advisor for the design manager

A design problem is viewed as a complex system divisible into modules. Before the design of a complex system can begin, much time and money are spent in determining the couplings among modules and the presence of iterative loops. This is important because the design manager must know how to group the modules into substems and how to assign subsystems to design teams so that changes in one subsystem will have predictable effects on other subsystems. Determining these subsystems is not an easy, straightforward process and often important couplings are overlooked. Moreover, the planning task must be repeated as new information becomes available or as the design specifications change. The purchase of this research effort is to develop a knowledge-based tool to act as an intelligent advisor for the design manager. This tool identifies the subsystems of a complex design problem, orders them into a well-structured format, and marks the couplings among the subsystems to facilitate the use of multilevel tools. The tool was tested in the decomposition of the COFS (Control of Flexible Structures) mast design which has about 50 modules. This test indicated that this type of approach could lead to a substantial savings by organizing and displaying a complex problem as a sequence of subsystems easily divisible among design teams.

Rogers, James L.↗
NASA NTRS1988

Application of imaging spectrometer data to the Kings-Kaweah ophiolite melange

The Kings-Kaweah ophiolite melange in east-central California is thought to be an obducted oceanic fracture zone and provides the rare opportunity to examine in detail the complex nature of this type of terrain. It is anticipated that the distribution and abundance of components in the melange can be used to determine the relative importance of geologic processes responsible for the formation of fracture zone crust. Laboratory reflectance spectra of field samples indicate that the melange components have distinct, diagnostic absorptions at visible to near-infrared wavelengths. The spatial and spectral resolution of AVIRIS is ideally suited for addressing important scientific questions concerning the Kings-Kaweah ophiolite melange and fracture zones in general.

Mustard, John F.↗