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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

NASCAP modelling of high-voltage power system interactions with space charged-particle environments

The NASA Charging Analyzer Program (NASCAP), an engineering tool capable of analyzing the impact of the charged particle environment on spacecraft surfaces and systems, is described. NASCAP is a quasi-static computational program which analyzes the charging of a 3-dimensional complex body as a function of time and system-generated voltages for given space environmental conditions. The material properties of the surfaces are taken into account; the surface potentials, low energy sheath, potential distribution in space and particle trajectories are calculated. An application of NASCAP to a simple space solar power station consisting of two 6 m by 18 m solar array wings surrounding a central body is presented. Each solar array wing is considered to be divided into three regions operating at 2000 volts. Results of NASCAP analysis of the system for a normal environment and a moderate geomagnetic substorm environment are discussed.

Stevens, N. J.↗
NASA NTRS1990

An ocean scatter propagation model for aeronautical satellite communication applications

In this paper an ocean scattering propagation model, developed for aircraft-to-satellite (aeronautical) applications, is described. The purpose of the propagation model is to characterize the behavior of sea reflected multipath as a function of physical propagation path parameters. An accurate validation against the theoretical far field solution for a perfectly conducting sinusoidal surface is provided. Simulation results for typical L band aeronautical applications with low complexity antennas are presented.

Moreland, K. W.↗
NASA NTRS1993

A revised catalog of CfA galaxy groups in the Virgo/Great Attractor flow field

A new identification of groups and clusters in the CfAl Catalog of Huchra, et al. (1983) is presented, using a percolation algorithm to identify density enhancements. The procedure differs from that of the original Geller and Huchra (1983; GH) catalog in several important respects; galaxy distances are calculated from the Virgo-Great Attractor flow model of Faber and Burnstein (1988), the adopted distance linkage criteria is only approx. 1/4 as large as in the Geller and Huchra catalog, the sky link relation is taken from Nolthenius and White (1987), correction for interstellar extinction is included, and 'by-hand' adjustments to group memberships are made in the complex regions of Virgo/Coma I/Ursa Major and Coma/A1367 (to allow for varying group velocity dispersions and to trim unphysical 'spider arms'). Since flow model distances are poorly determined in these same regions, available distances from the IR Tully-Fisher planetary nebula luminosity function and surface brightness resolution methods are adopted if possible.

Nolthenius, Richard↗
NASA NTRS1997

The solid state environment orchestrates embryonic development and tissue remodeling

Cell interactions with extracellular matrix and with other cells play critical roles in morphogenesis during development and in tissue homeostasis and remodeling throughout life. Extracellular matrix is information-rich, not only because it is comprised of multifunctional structural ligands for cell surface adhesion receptors, but also because it contains peptide signaling factors, and proteinases and their inhibitors. The functions of these groups of molecules are extensively interrelated. In this review, three primary cell culture models are described that focus on adhesion receptors and their roles in complex aspects of morphogenesis and remodeling: the regulation of proteinase expression by fibronectin and integrins in synovial fibroblasts; the regulation of osteoblast differentiation and survival by fibronectin, and the regulation of trophoblast differentiation and invasion by integrins, cadherins and immunoglobulin family adhesion receptors.

NASA Discipline Musculoskeletal↗
NASA NTRS2009

Computer Code for Nanostructure Simulation

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

Filikhin, Igor↗
NASA NTRS2010

Magnetic Topology of Coronal Hole Linkages

In recent work, Antiochos and coworkers argued that the boundary between the open and closed field regions on the Sun can be extremely complex with narrow corridors of open ux connecting seemingly disconnected coronal holes from the main polar holes, and that these corridors may be the sources of the slow solar wind. We examine, in detail, the topology of such magnetic configurations using an analytical source surface model that allows for analysis of the eld with arbitrary resolution. Our analysis reveals three important new results: First, a coronal hole boundary can join stably to the separatrix boundary of a parasitic polarity region. Second, a single parasitic polarity region can produce multiple null points in the corona and, more important, separator lines connecting these points. Such topologies are extremely favorable for magnetic reconnection, because it can now occur over the entire length of the separators rather than being con ned to a small region around the nulls. Finally, the coronal holes are not connected by an open- eld corridor of finite width, but instead are linked by a singular line that coincides with the separatrix footprint of the parasitic polarity. We investigate how the topological features described above evolve in response to motion of the parasitic polarity region. The implications of our results for the sources of the slow solar wind and for coronal and heliospheric observations are discussed.

Titov, V. S.↗
NASA NTRS2015

Solid Rocket Motor Combustion Instability Modeling in COMSOL Multiphysics

Combustion instability modeling of Solid Rocket Motors (SRM) remains a topic of active research. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process, acoustics, and steady-state gas dynamics. Recent advances in defining the energy transport of disturbances within steady flow-fields have been applied by combustion stability modelers to improve the analysis framework [1, 2, 3]. Employing this more accurate global energy balance requires a higher fidelity model of the SRM flow-field and acoustic mode shapes. The current industry standard analysis tool utilizes a one dimensional analysis of the time dependent fluid dynamics along with a quasi-three dimensional propellant grain regression model to determine the SRM ballistics. The code then couples with another application that calculates the eigenvalues of the one dimensional homogenous wave equation. The mean flow parameters and acoustic normal modes are coupled to evaluate the stability theory developed and popularized by Culick [4, 5]. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The current study employs the COMSOL multiphysics finite element framework to model the steady flow-field parameters and acoustic normal modes of a generic SRM. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluates the gas flow inside of a SRM using St. Robert's law to model the solid propellant burn rate, no slip boundary conditions, and the hybrid outflow condition. Results from the HMNF model are verified by comparing the pertinent ballistics parameters with the industry standard code outputs (i.e. pressure drop, thrust, ect.). These results are then used by the coefficient form of the mathematics module to determine the complex eigenvalues of the Acoustic Velocity Potential Equation (AVPE). The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. The results of the steady-state CFD and AVPE analyses are used to calculate the linear acoustic growth rate as is defined by Flandro and Jacob [2, 3]. In order to verify the process implemented within COMSOL we first employ the Culick theory and compare the results with the industry standard. After the process is verified, the Flandro/Jacob energy balance theory is employed and results displayed.

Fischbach, Sean R.↗
NASA NTRS2019

Satellite-Detected Ocean Ecosystem Response to Volcanic Eruption in the Subarctic Northeast Pacific Ocean

Volcanic eruptions in the Aleutian archipelago during the summer of 2008 deposited large quantities of iron-laden ash to the Subarctic North Pacific Ocean. The surface ocean ecosystem response has been previously characterized using limited in situ and autonomous field measurements and numerical modeling, but basin-scale satellite remote sensing has been limited to a simple description of chlorophyll variability. Here, we show that the ecosystem response is a complex combination of phytoplankton biomass and physiology that can be described with satellite ocean color diagnostics such as the chlorophyll to carbon biomass ratio (Chl:Cphyto) and chlorophyll fluorescence yield. Together, these quantities outline a more complete picture of ecological response spanning unique signals of iron stress (and relief from), photo acclimation, changes in phytoplankton growth rate, increases in biomass, and timescales of decay for these processes.

Ocean Ecosystem↗
NASA NTRS2022

Constraining Arctic Climate Projections of Wintertime Warming With Surface Turbulent Flux Observations and Representation of Surface-Atmosphere Coupling

The drivers of rapid Arctic climate change—record sea ice loss, warming SSTs, and a lengthening of the sea ice melt season—compel us to understand how this complex system operates and use this knowledge to enhance Arctic predictability. Changing energy flows sparked by sea ice decline, spotlight atmosphere-surface coupling processes as central to Arctic system function and its climate change response. Despite this, the representation of surface turbulent flux parameterizations in models has not kept pace with our understanding. The large uncertainty in Arctic climate change projections, the central role of atmosphere-surface coupling, and the large discrepancy in model representation of surface turbulent fluxes indicates that these processes may serve as useful observational constraints on projected Arctic climate change. This possibility requires an evaluation of surface turbulent fluxes and their sensitivity to controlling factors (surface-air temperature and moisture differences, sea ice, and winds) within contemporary climate models (here Coupled Model Intercomparison Project 6). The influence of individual controlling factors and their interactions is diagnosed using a multi-linear regression approach. This evaluation is done for four sea ice loss regimes, determined from observational sea ice loss trends, to control for the confounding effects of natural variability between models and observations. The comparisons between satellite- and model-derived surface turbulent fluxes illustrate that while models capture the general sensitivity of surface turbulent fluxes to declining sea ice and to surface-air gradients of temperature and moisture, substantial mean state biases exist. Specifically, the central Arctic is too weak of a heat sink to the winter atmosphere compared to observations, with implications to the simulated atmospheric circulation variability and thermodynamic profiles. Models were found to be about 50% more efficient at turning an air-sea temperature gradient anomaly into a sensible heat flux anomaly relative to observations. Further, the influence of sea ice concentration on the sensible heat flux is underestimated in models compared to observations. The opposite is found for the latent heat flux variability in models; where the latent heat flux is too sensitive to a sea ice concentration anomaly. Lastly, the results suggest that present-day trends in sea ice retreat regions may serve as suitable observational constraints of projected Arctic warming.

turbulent fluxes↗
DOE OSTI2020

The TRANSCEND Consortium - In-situ Identification of Surface Corrosion Products on Spent Nuclear Fuels - 20276

The management of spent nuclear fuel is a major ongoing concern for the UK owing to the cessation of reprocessing operations at Sellafield and the large, complex inventory arising from Magnox, AGR, PWR and prototype reactors. Retrieval and relocation operations for legacy fuels are imminent and therefore, any models that enhance our understanding of fuel evolution will help mitigate the risks associated with fuel storage and disposal. The TRANSCEND Consortium on nuclear waste management comprises four work packages, within this current paper we provide a summary overview of progress to date and illustrative results from Theme 3: Spent Nuclear Fuels. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1991

RWF rotor-wake-fuselage code software reference guide

The RWF (Rotor-Wake-Fuselage) code was developed from first principles to compute the aerodynamics associated with the complex flow field of helicopter configurations. The code is sized for a single, multi-bladed main rotor and any configuration of non-lifting fuselage. The mathematical model for the RWF code is based on the integration of the momentum equations and Green's theorem. The unknowns in the problem are the strengths of prescribed singularity distributions on the boundaries of the flow. For the body (fuselage) a surface of constant strength source panels is used. For the rotor blades and rotor wake a surface of constant strength doublet panels is used. The mean camber line of the rotor airfoil is partitioned into surface panels. The no-flow boundary condition at the panel centroids is modified at each azimuthal step to account for rotor blade cyclic pitch variation. The geometry of the rotor wake is computers at each time step of the solution. The code produces rotor and fuselage surface pressures, as well as the complex geometry of the evolving rotor wake.

Berry, John D.↗
DOE OSTI2020

Hydration Mechanisms in Nanoparticle Interaction and Surface Energetics

Work on the project advanced molecular level understanding, prediction and control of nanoscale hydration in salt solutions under electric stimuli or ionic patterning. Permeation of nanoporous electrodes at preset voltage underlies the function of ultracapacitors. Transitory regulation of wetting in nanoporous media by electric field spans an array of applications in materials, energy storage, and separation sciences. The physically related modulation of nanoparticle solubility by surface charges can significantly extend the range of the nanomaterial applications, improve processing techniques, and potentially alleviate environmental concerns. Pore/solution equilibria, and activated kinetics of liquid gating by nanoconfined electrolytes are challenging problems at the forefront of experimental and theoretical research. Addressing these problems from a molecular perspective required the development of state-of-the-art simulation algorithms in statistical mechanics to capture complex processes in open systems under electric control. Parallel studies of wetting and dispersibility of polar and ionizing particles aim to uncover predictive relations between electrowetting, chemical functionalization, and geometry of nanomaterial particles. By nonequilibrium dynamic modeling, we elucidated electrolyte flow in nanochanels and associated electrokinetic energy conversion. Research on the program provided training opportunities for the next generation of scientists in computational chemistry. Insights, and methods from the project implicate broad segment of researchers in energy and nanosciences, materials and surface chemistry.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2004

Scientific Objectives, Measurement Needs, and Challenges Motivating the PARAGON Aerosol Initiative

Aerosols are involved in a complex set of processes that operate across many spatial and temporal scales. Understanding these processes, and ensuring their accurate representation in models of transport, radiation transfer, and climate, requires knowledge of aerosol physical, chemical, and optical properties and the distributions of these properties in space and time. To derive aerosol climate forcing, aerosol optical and microphysical properties and their spatial and temporal distributions, and aerosol interactions with clouds, need to be understood. Such data are also required in conjunction with size-resolved chemical composition in order to evaluate chemical transport models and to distinguish natural and anthropogenic forcing. Other basic parameters needed for modeling the radiative influences of aerosols are surface reflectivity and three-dimensional cloud fields. This large suite of parameters mandates an integrated observing and modeling system of commensurate scope. The Progressive Aerosol Retrieval and Assimilation Global Observing Network (PARAGON) concept, designed to meet this requirement, is motivated by the need to understand climate system sensitivity to changes in atmospheric constituents, to reduce climate model uncertainties, and to analyze diverse collections of data pertaining to aerosols. This paper highlights several challenges resulting from the complexity of the problem. Approaches for dealing with them are offered in the set of companion papers.

optical depth↗
DOE OSTI2022

1 H chemical shift anisotropy: a high sensitivity solid-state NMR dynamics probe for surface studies?

We report dynamics play significant roles in chemistry and biochemistry-molecular motions impact both large- and small-scale chemical reactions in addition to biochemical processes. In many systems, including heterogeneous catalysts, the characterization of dynamics remains a challenge. The most common approaches involve the solid-state NMR measurement of anisotropic interactions, in particular 2 H quadrupolar coupling and 1 H–X dipolar coupling, which generally require isotope enrichment. Due to the high sensitivity of 1 H NMR, 1 H chemical shift anisotropy (CSA) is a particularly enticing, and underexplored, dynamics probe. We carried out 1 H CSA and 1 H– 13 C dipolar coupling measurements in a series of model supported complexes to understand how 1 H CSA can be leveraged to gain dynamic information for heterogeneous catalysts. Mathematical descriptions are given for the dynamic averaging of the CSA tensor, and its dependence on orientation and asymmetry. The variability of the orientation of the tensor in the molecular frame, in addition to its magnitude and asymmetry, negatively impacts attempts to extract quantitative dynamic information. Nevertheless, 1 H CSA measurements can reveal useful qualitative insights into the motions of a particularly dilute site, such as from a surface species.

1H chemical shift anisotropy↗
DOE OSTI2023

Fluorine spillover for ceria- vs silica-supported palladium nanoparticles: A MD study using machine learning potentials

Supported metallic nanoparticles play a central role in catalysis. However, predictive modeling is particularly challenging due to the structural and dynamic complexity of the nanoparticle and its interface with the support, given that the sizes of interest are often well beyond those accessible via traditional ab initio methods. With recent advances in machine learning, it is now feasible to perform MD simulations with potentials retaining near-density-functional theory (DFT) accuracy, which can elucidate the growth and relaxation of supported metal nanoparticles, as well as reactions on those catalysts, at temperatures and time scales approaching those relevant to experiments. Furthermore, the surfaces of the support materials can also be modeled realistically through simulated annealing to include effects such as defects and amorphous structures. We study the adsorption of fluorine atoms on ceria and silica supported palladium nanoparticles using machine learning potential trained by DFT data using the DeePMD framework. We show defects on ceria and Pd/ceria interfaces are crucial for the initial adsorption of fluorine, while the interplay between Pd and ceria and the reverse oxygen migration from ceria to Pd control spillover of fluorine from Pd to ceria at later stages. In contrast, silica supports do not induce fluorine spillover from Pd particles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

New Constraints on the Volatile Deposit in Mercury’s North Polar Crater, Prokofiev

There is strong evidence from multi-wavelength, multi-instrument observations and thermal models for the presence of ice and other volatiles in Mercury’s north polar permanently shadowed regions (PSRs)[1-6]. Ground-based radar measurements identified bright regions in some polar craters interpreted to be water ice on or near the surface[1]. The MESSENGER spacecraft found that some radar-bright deposits appeared bright in the optical and near-infrared while others appeared dark[4-6]. The bright regions were interpreted to be exposed surface ice while the dark regions were hypothesized to be complex organic volatile lag deposits overlaying buried ice[3]. One example of the former is in the 112 km diameter crater, Prokofiev, for which the Mercury Dual Imaging System (MDIS) acquired broadband images while in Sun shadow but illuminated by scattered light from the crater walls[5]. These images revealed a relatively high-albedo region spatially correlated with the PSR. Subsequent work[7] found a small offset between the boundary of the radar-bright region and that of the PSR predicted by an illumination model based on the polar digital elevation model (DEM)from the Mercury Laser Altimeter (MLA). Such an offset, if true, could have implications for the ice properties and its delivery and destruction mechanisms. However, the low resolution (1 km/pix) of the polar MLA DEM precluded a definitive conclusion. In the present work, we build new higher-resolution topographic, illumination, and thermal models of Prokofiev to place stronger constraints on its PSR and volatile deposits. We also study the MLA reflectance data in this crater to quantitatively estimate the ice abundance.

Michael K Barker↗
DOE OSTI2020

Predicting a Sharp Decline in Selectivity for Catalytic Esterification of Alcohols from van der Waals Interactions

Controlling the selectivity of catalytic reactions is a critical aspect of improving energy efficiency in the chemical industry; thus, predictive models are of key importance. Herein the performance of a heterogeneous, nanoporous Au catalyst is predicted for the complex catalytic self-coupling of the series of C 2 -C 4 alkyl alcohols, based solely on the known kinetics of the elementary steps of the catalytic cycle for methanol coupling, using scaling methods augmented by density functional theory. Notably, a sharp decrease in selectivity for ester formation with increasing molecular weight to favor the aldehyde due to van der Waals interactions of reaction intermediates with the surface was predicted and subsequently verified quantitatively by experiment. Furthermore, the agreement between theory and experiment clearly demonstrates the efficacy of this approach for building a predictive model of catalytic behavior for a homologous set of reactants using a small set of experimental information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Predicting a Sharp Decline in Selectivity for Catalytic Esterification of Alcohols from van der Waals Interactions

Controlling the selectivity of catalytic reactions is a critical aspect of improving energy efficiency in the chemical industry; thus, predictive models are of key importance. Herein the performance of a heterogeneous, nanoporous Au catalyst is predicted for the complex catalytic self-coupling of the series of C 2 –C 4 alkyl alcohols, based solely on the known kinetics of the elementary steps of the catalytic cycle for methanol coupling, using scaling methods augmented by density functional theory. Notably, a sharp decrease in selectivity for ester formation with increasing molecular weight to favor the aldehyde due to van der Waals interactions of reaction intermediates with the surface was predicted and subsequently verified quantitatively by experiment. Further, the agreement between theory and experiment clearly demonstrates the efficacy of this approach for building a predictive model of catalytic behavior for a homologous set of reactants using a small set of experimental information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗