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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Lunar and Planetary Science XXXV: Impacts: Modeling and Observations

This document covers the following topics: Cratering on Titan: Projectiles, Craters and Impact Melt; The Cratering Database: Making Code Jockeys Honest; Popigai Impact Structure Modeling: Morphology and Worldwide Ejecta; Anhydrite EOS and Phase Diagram in Relation to Shock Decomposition; Computational Investigations of the Chesapeake Bay Impact Structure; Hydrocode Simulations of the Chesapeake Bay Impact; Lockne Crater as a Result of Oblique Impact; The Influence of a Deep Shelf Sea on the Excavation and Modification of a Marine-Target Crater, the Lockne Crater, Central Sweden; Pre-Drilling Investigation of the Lake Bosumtwi Impact Crater: Constraints from Geophysics and Numerical Modelling; Central Uplift Formation at the Middlesboro Impact Structure, Kentucky, USA; A SRTM Investigation of Serra da Cangalho Impact Structure, Brazil; Brazilian Impact Craters: A Review; Flynn Creek Impact Structure: New Insights from Breccias, Melt Features, Shatter Cones, and Remote Sensing; The Howell Structure, Lincoln County, Tennessee: A Review of Past and Current Research; After the Chicxulub Impact: Control on Depositional and Diagenetic History of the Cenozoic Carbonate Formations of the Northwestern Yucatan Peninsula, Mexico; Ni Contents by Non-Destructive In-Situ XRF Method of Takamatsu-Kagawa Crater District in Japan; and Akiyoshi Limestone Blocks Transported by the P/T Boundary Event to Japan Islands.

Source record↗
NASA NTRS2006

The NASA Constellation University Institutes Project: Thrust Chamber Assembly Virtual Institute

This paper documents key aspects of the Constellation University Institutes Project (CUIP) Thrust Chamber Assembly (TCA) Virtual Institute (VI). Specifically, the paper details the TCA VI organizational and functional aspects relative to providing support for Constellation Systems. The TCA VI vision is put forth and discussed in detail. The vision provides the objective and approach for improving thrust chamber assembly design methodologies by replacing the current empirical tools with verified and validated CFD codes. The vision also sets out ignition, performance, thermal environments and combustion stability as focus areas where application of these improved tools is required. Flow physics and a study of the Space Shuttle Main Engine development program are used to conclude that the injector is the key to robust TCA design. Requirements are set out in terms of fidelity, robustness and demonstrated accuracy of the design tool. Lack of demonstrated accuracy is noted as the most significant obstacle to realizing the potential of CFD to be widely used as an injector design tool. A hierarchical decomposition process is outlined to facilitate the validation process. A simulation readiness level tool used to gauge progress toward the goal is described. Finally, there is a description of the current efforts in each focus area. The background of each focus area is discussed. The state of the art in each focus area is noted along with the TCA VI research focus in the area. Brief highlights of work in the area are also included.

Tucker, P. Kevin↗
NASA NTRS2010

Computational Analysis of Arc-Jet Wedge Tests Including Ablation and Shape Change

Coupled fluid-material response analyses of arc-jet wedge ablation tests conducted in a NASA Ames arc-jet facility are considered. These tests were conducted using blunt wedge models placed in a free jet downstream of the 6-inch diameter conical nozzle in the Ames 60-MW Interaction Heating Facility. The fluid analysis includes computational Navier-Stokes simulations of the nonequilibrium flowfield in the facility nozzle and test box as well as the flowfield over the models. The material response analysis includes simulation of two-dimensional surface ablation and internal heat conduction, thermal decomposition, and pyrolysis gas flow. For ablating test articles undergoing shape change, the material response and fluid analyses are coupled in order to calculate the time dependent surface heating and pressure distributions that result from shape change. The ablating material used in these arc-jet tests was Phenolic Impregnated Carbon Ablator. Effects of the test article shape change on fluid and material response simulations are demonstrated, and computational predictions of surface recession, shape change, and in-depth temperatures are compared with the experimental measurements.

Goekcen, Tahir↗
NASA NTRSDate not supplied

Extraterrestrial Mining Via Two Coupled Thermal-Driven Phenomena

Two-coupled thermal-driven phenomena, Marangoni effect and thermal fractional decomposition under high vacuum, previously observed by the authors could lead to an extraterrestrial mining operation that would significantly reduce mechanical operation and allow in-situ product extraction directly from the mineral without the necessity of neither mineral beneficiation nor use of terrestrial precursors. Thermal Marangoni effect alone and coupled with fractional decomposition have been corroborated through paths of 10 and 13 inches respectively on molten JSC-1A lunar regolith simulant presenting a novel and valuable potential for extraterrestrial mining as the observed outcome (self-transportation via Marangoni effect and fractional decomposition at higher temperature) will be more prominent on extraterrestrial surfaces under higher vacuum and reduced gravity. A comprehensive 3D model built by the authors demonstrated to be a crucial tool to determine the right location of the sample to optimize the gradient temperature along the wall of a long tubular crucible enhancing the Marangoni effect as surface tension (the driving force for the thermal Marangoni effect) depends on the temperature gradient.

Jesus A Dominguez↗
NASA NTRS1993

Application of the target decomposition theorem to a polarimetric random media model

With advances in polarimetric radar measurements of land surfaces, the need for understanding the underlying scattering mechanisms and dominant target features has become the focus of many studies. In particular, the maximum use of the polarimetric information to identify and/or separate parameters related to the surface features such as vegetation thickness, structure, water content, and soil surface characteristics will enhance the possibility of using polarimetric radars for monitoring the earth's surface from space. In this paper, Cloude's decomposition theorem is applied to a polarimetric random media model to simulate the radar measurements of vegetated canopies. The vegetated canopies are modeled as a three layer discrete random medium with leaves and branches in the first layer, tree trunks in the second layer, and a half space of homogeneous ground with rough interface as the bottom layer. The distorted born approximation (DBA) has been used to compute full Mueller matrix of the canopy, using canonical dielectric objects such as thin discs and cylinders as leaves, branches, and trunks, respectively. The Mueller matrix and the derived covariance matrix contain information on the second order statistics of radar signals at various polarizations from the canopy. To decompose the covariance matrix to its constituent targets, the eigenvalues and eigenvectors of the covariance matrix are computed in terms of the physical parameters of the canopy. In addition, each eigenvector explicitly shows the scattering mechanisms such as odd and even reflections in the canopy. Cloude's decomposition theorem is applied using the Pauli spin matrices as a basis and an expression for the degree of disorder or the entropy for the vegetated surface is found. Then, the physical parameters estimated from in situ measurements are used in the random media to obtain realistic covariance matrices. As a result, the sensitivity of the eigenvalue spectrums and the coefficients resulting from the target decomposition theorem to the physical parameters of the canopy are examined and the possible use of Cloude's theorem to estimate vegetation and soil parameters is discussed.

Saatchi, Sasan S.↗
DOE OSTI2024

Comparison of volatiles evolving from selected highland and mare lunar regolith simulants during vacuum sintering

Volatiles evolving from JSC-1A, NU-LHT-4M and CSM-LHT-1G lunar regolith simulants during in vacuo thermal processing were analyzed using mass spectrometry as a function of temperature. Two high-fidelity simulants, JSC-1A (mare) and NU-LHT-4M (highland), were compared to a newly developed CSM-LHT-1G highland simulant, modified to closely match lunar geochemistry. Large autogenous gas loads were observed for all investigated materials. Mineralogical knowledge was used to identify and attribute individual volatile species to reacting, transforming, or decomposing constituents (hydrates, carbonates, sulfates, sulfides, clays, etc.) of the respective regolith simulant in the self-generated gas environment. Cumulative mass losses for individual simulant components as a function of temperature were quantified using mass spectrometry in conjunction with thermogravimetric analysis. Investigation of the four components of CSM-LHT-1G – anorthosite, basalt, augite, and glass – aided the attribution of volatile species to specific compounds and their respective sources. The results showed significant decomposition of non-lunar phases present in the man-made regolith simulants below the typical glass crystallization temperatures, which paves the way to devising methods for enhancing the fidelity of the simulants. Finally, high gas loads and corrosive gases (HF and HCl) were recognized as potential hazards, pertaining to the development of large testbed facilities.

42 ENGINEERING↗
NASA NTRS1962

Jet Interference Effects on a Model of a Single-Engine Four Jet V/STOL Airplane at Mach Numbers from 0.60 to 1.00

An investigation was conducted in the Langley 16-foot transonic tunnel to determine the interference from four exhaust jets on the aerodynamic characteristics of a model of a V/STOL airplane. The single- engine four-jet turbofan power plant of the airplane was simulated by inducing tunnel airflow through two large side inlets and injecting the decomposition products of hydrogen peroxide into the internal flow. The heated gas mixture was exhausted through four nozzles located on the sides of the fuselage under the wing, two near the wing leading edge and two forward of the trailing edge; the nozzles were deflected downward 1.5 deg and outward 5.0 deg to simulate cruise conditions. The wing of the model was a clipped delta with leading-edge sweep of 40 deg, aspect ratio of 3.06, taper ratio of 0.218, thickness-chord ratio of 0.09 at the root and 0.07 at the tip, and 10 deg negative dihedral. Aerodynamic and longitudinal stability coefficients were obtained for the model with the tail removed, and for horizontal-tail incidences of 0 deg and -5 deg. Data were obtained at Mach numbers from 0.60 to 1.00, angles of attack from 0 deg to 12 deg, and with jet total-pressure ratios up to 3.1. Jet operation generally caused a decrease in lift, an increase in pitching-moment coefficient, and a decrease in longitudinal stability at subsonic speeds. The jet interference effects on drag were detrimental at a Mach number of 0.60 and favorable at higher speeds for cruising-flight attitudes.

Schmeer, James W.↗
DOE OSTI2026

pyRMG: A framework for high-throughput, large-cell DFT calculations on supercomputers

Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density functional theory (DFT) code’s grid-decomposition approach scales nearly linearly with the number of graphics processing units (GPUs), even for simulations exceeding thousands of atoms. This scalability makes RMG a compelling tool for high-throughput DFT studies of materials that would otherwise be bottlenecked in other codes (for example, by global fast Fourier transforms in plane-wave DFT). However, the limited workflow infrastructure for RMG has thus far constrained its adoption to a small user community. In this work, we present pyRMG, a Python package designed to streamline the setup and execution of RMG DFT calculations. Built on the pymatgen and ASE (Atomic Simulation Environment) computational materials science Python packages, pyRMG automates input generation and convergence checking, and it integrates with modern job schedulers (e.g., Flux) on leadership-class platforms such as Frontier and Perlmutter. Here, we demonstrate pyRMG for a high-throughput study of strain effects in 2D 2L-Bi 2 Se 3 /2L-NbSe 2 heterostructures, which offers chemical insights into this system and shows that RMG-based workflows can converge with limited user intervention.

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

Pit rim decomposition into multiple quantum dots on surfaces of epitaxial thin films grown on pit-patterned substrates

Here, we report results of dynamical simulations according to an experimentally validated surface morphological evolution model on the formation of regular arrays of quantum dot molecules (QDMs) consisting of 1D arrays of smaller interacting quantum dots (QDs). These QD arrays form along the sides of each pit rim on the surface of a coherently strained thin film epitaxially deposited on a semiconductor substrate, the surface of which consists of a periodic pattern of inverted prismatic pits with rectangular pit openings. We find that this complex QDM pattern results from the decomposition of the pit rim from a “quantum fortress” with four elongated QDs into four 1D arrays of multiple smaller QDs arranged along each side of the pit rim. Systematic parametric analysis indicates that varying the pit opening dimensions and the pit wall inclination directly impacts the number of QDs in the resulting QDM pattern, while varying the pit depth only affects the dimensions of the QDs in the nanostructure pattern. Therefore, the number, arrangement, and sizes of QDs in the resulting pattern of QDMs on the film surface can be engineered precisely by proper tuning of the pit design parameters. Our simulation results are supported by predictions of morphological stability analysis, which explains the pit rim decomposition into multiple QDs as the outcome of a tip-splitting instability and provides a fundamental characterization of the post-instability nanostructure pattern. Our theoretical findings can play a vital role in designing optimal semiconductor surface patterns toward enabling future nanofabrication technologies.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Direct simulation Monte Carlo analysis on parallel processors

A method is presented for executing a direct simulation Monte Carlo (DSMC) analysis using parallel processing. The method is based on using domain decomposition to distribute the work load among multiple processors, and the DSMC analysis is performed completely in parallel. Message passing is used to transfer molecules between processors and to provide the synchronization necessary for the correct physical simulation. Benchmark problems are described for testing the method and results are presented which demonstrate the performance on two commercially available multicomputers. The results show that reasonable parallel speedup and efficiency can be obtained if the problem is properly sized to the number of processors. It is projected that with a massively parallel system, performance exceeding that of current supercomputers is possible.

Wilmoth, Richard G.↗
NASA NTRS2003

Quadrature Moments Method for the Simulation of Turbulent Reactive Flows

A sub-filter model for reactive flows, namely the DQMOM model, was formulated for Large Eddy Simulation (LES) using the filtered mass density function. Transport equations required to determine the location and size of the delta-peaks were then formulated for a 2-peak decomposition of the FDF. The DQMOM scheme was implemented in an existing structured-grid LES solver. Simulations of scalar shear layer using an experimental configuration showed that the first and second moments of both reactive and inert scalars are in good agreement with a conventional Lagrangian scheme that evolves the same FDF. Comparisons with LES simulations performed using laminar chemistry assumption for the reactive scalar show that the new method provides vast improvements at minimal computational cost. Currently, the DQMOM model is being implemented for use with the progress variable/mixture fraction model of Pierce. Comparisons with experimental results and LES simulations using a single-environment for the progress-variable are planned. Future studies will aim at understanding the effect of increase in environments on predictions.

Raman, Venkatramanan↗
DOE OSTI2026

Surface Crust Formation Controls Evaporation Kinetics of Secondary Organic Aerosols

Gas-particle partitioning is critical for the evolution of secondary organic aerosols (SOA) in the atmosphere. SOA particles evaporate more slowly than expected at nearly size-independent rates, but the underlying mechanism remains controversial. Here, in this study, we apply kinetic multilayer modeling to simulate evaporation of α-pinene SOA, demonstrating that surface crust formation, emerging from accumulation of low-volatility compounds at the particle surface, leads to slow evaporation and reduced size dependence of the evaporation rate. While evaporation induced by decomposition of oligomers would naturally lead to size-independent evaporation rates, we observe and simulate nearly size-independent slow evaporation of polyethylene glycol mixture particles containing polymeric species that do not decompose, confirming the relevance of composition-dependent diffusivity for size-independent, slow evaporation. Slow evaporation of limonene SOA was also observed in environmental chamber experiments, and model simulations demonstrate strong surface crust formation with bulk diffusivity being depressed by up to 5 orders of magnitude compared to the inner bulk. We present experimental evidence using a surface-based mass spectrometry technique that shows that the particle surface becomes enriched in high molecular weight compounds upon evaporation of monomers. Our findings imply that viscous surface crusts may also limit the growth and chemical transformation of SOA particles, influencing their impacts on air quality and climate.

heterogeneous chemistry↗
DOE OSTI2023

Ectomycorrhizal effects on decomposition are highly dependent on fungal traits, climate, and litter properties: A model-based assessment. Dataset.

To simulate the effects of mycorrhizal fungi on soil organic matter cycling, we incorporated mycorrhizal processes into the Carbon, Organisms, Rhizosphere, and Protection in the Soil Environment (CORPSE) model to develop a new soil model Myco-CORPSE. The new model was calibrated and evaluated against soil measurements taken at temperate forests in New Hampshire (NH) and Georgia (GA). A series of scenario analysis were also conducted to explore the conditions under which ectomycorrhizal (ECM) N acquisition processes can induce different soil C accumulation in ECM systems compared to arbuscular (AM) systems.In this data package, we included:-The Python codes of the standard Myco-CORPSE model we developed: "Standard Myco_CORPSE python codes.zip". The main program is the "gradient_sim.py" which calculates the bulk soil microbes and CN content along a user defined gradient of clay, soil temperature, soil moisture and mycorrhizal dominance, and relies on two subprograms "CORPSE_deriv.py" and "CORPSE_integrate.py". "CORPSE_deriv.py" calculated the changes in all simulated soil stock within every time step and "CORPSE_integrate.py" integrate the changes in all simulated soil stock within simulated time period. The program "Plot.py" is used to plot the major outputs produced by the main program "gradient_sim.py".-The modified Python codes of Myco-CORPSE models with site-level environmental inputs (in NH and GA) used to conduct simulations in NH and GA sites: "NH_GA model simulations.zip". -The Python codes used to evaluate the Myco-CORPSE simulation outputs in NH and GA sites against site-level measurements: "Plot NH_GA simulation against measurements.zip". It includes both the evaluation Python code, the model outputs on NH and GA sites, and the measured soil properties in both sites.-The modified Python codes of Myco-CORPSE models "Scenario analysis_model simulations.zip" that is used to conduct scenario analysis of how different litter properties, mycorrhizal fungal traits, climate, and seasonal variation in temperature and vegetation phenology impact the mycorrhizal effects on soil CN properties. The sub file folder "Scenario analysis_litter traits" contains the codes for scenario analysis of different litter properties; The sub file folder "Scenario analysis_ECM types" contains the codes for scenario analysis of different ECM fungal traits; The sub file folder "Scenario analysis_climate&seasonality" contains the codes for scenario analysis of different climate and seasonalities;-"Scenario analysis_model results and plotting codes.zip" contains all the output files from the the scenario analysis of Myco-CORPSE model as described above and the plotting codes used to the generate the heatmaps and scatterplots shown in the manuscript "Ectomycorrhizal effects on decomposition are highly dependent on fungal traits, climate, and litter properties: A model-based assessment"The majority of the model outputs did not have specific geographic information or temporal coverage because the analysis we conducted are mainly hypothetical model simulations. We only provided geographic description, coordinates and temporal coverage for those soil measurements which we used for model evaluations (included in the "Plot NH_GA simulation against measurements.zip").

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Alcohol-Induced Low-Temperature Blockage of Supported-Metal Catalysts for Enhanced Catalysis

The partial or complete blockage of active sites of metal nanoparticles (NPs) on supported-metal catalysts has been of interest for tuning the stability, selectivity, and rate of reactions. In this study, we show that Au-sites in Au/TiO 2 surprisingly become blocked upon treatment in common alcohols (2-propanol and methanol), with 2-propanol causing a greater extent of blockage. Nearly 95% of Au-sites are covered after treatment in 2-propanol at room temperature, followed by desorption at 150 °C. Infrared spectroscopy of CO adsorption unambiguously confirms the occurrence of this phenomenon. Electron energy loss spectroscopy (EELS), temperature-programmed desorption (TPD), Raman spectroscopy, and DFT simulations suggest that the formation of carbon deposits from 2-propanol decomposition and/or the migration of a TiO x layer over the supported NPs may be responsible for the blockage of Au-sites. Nearly full coverage of Au NPs after treatment in 2-propanol led to negligible activity for catalytic CO oxidation, whereas partial retraction of the overlayer led to enhanced activity with time-on-stream, suggesting a self-activating catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

Accuracy of earth albedo estimates from wide-angle radiation measurements

The instantaneous resolution and accuracy that can be expected from two inversion techniques to be used in the Earth Radiation Budget Experiment (ERBE) are examined. It is shown that measurement errors are magnified by the numerical filter and that this magnification is a function of the magnitude of the inversion factor. By using singular value decomposition, these magnitudes can be reduced to improve the estimates. A simulation of the estimation process using an albedo field derived from scanning radiometer data shows that retaining 6 of the 13 singular values gives the best results. If there are no bidirectional model errors the medium-field-of-view data give the best estimates. However, when bidirectional model errors are considered, the wide-field-of-view measurements give better estimates since they are less sensitive to these errors.

Green, R. N.↗
NASA NTRS1986

Quality indicators for trace gas concentrations determined from earthlimb emission spectra

Different techniques which can be used to indicate the quality of the mixing ratios retrieved from spectral radiance measurements made by the CLAES instrument for 11 different atmospheric gases are discussed. A key to retrieval from noisy data is the Singular Value Decomposition (SVD), which is described. The use of the SVD with simulated data and radiance measurements from a balloon floating at 30 km is discussed.

Uplinger, W. G.↗
DOE OSTI2023

Improving Progressive Retrieval for HPC Scientific Data using Deep Neural Network

As the disparity between compute and I/O on high-performance computing systems has continued to widen, it has become increasingly difficult to perform post-hoc data analytics on full-resolution scientific simulation data due to the high I/O cost. Error-bounded data decomposition and progressive data retrieval framework has recently been developed to address such a challenge by performing data decomposition before storage and reading only part of the decomposed data when necessary. However, the performance of the progressive retrieval framework has been suffering from the over-pessimistic error control theory, such that the achieved maximum error of recomposed data is significantly lower than the required error. Therefore, more data than required is fetched for recomposition, incurring additional I/O overhead. In order to tackle this issue, we propose a DNN-based progressive retrieval framework that can better identify the minimum amount of data to be retrieved. Our contributions are as follows: 1) We provide an in-depth investigation of the recently developed progressive retrieval framework; 2) We propose two designs of prediction models (named D-MGARD and E-MGARD) to estimate the amount of retrieved data size based on error bounds. 3) We evaluate our proposed solutions using scientific datasets generated by real-world simulations from two domains. Evaluation results demonstrate the effectiveness of our solution in accurately predicting the amount of retrieval data size, as well as the advantages of our solution over the traditional approach to reducing the I/O overhead. Based on our evaluation, our solution is shown to read significantly less data (5% - 40% with D-MGARD, 20% - 80% with E-MGARD).

Wang, Jinzhen↗
NASA NTRS1992

Sub-domain decomposition methods and computational controls for multibody dynamical systems

This paper presents a concurrent methodology to simulate the dynamics of flexible multibody systems with a large number of degrees of freedom. A general class of open-loop structures is treated and a redundant coordinate formulation is adopted. A range space method is used in which the constraint forces are calculated using a preconditioned conjugate gradient method. By using a preconditioner motivated by the regular ordering of the directed graph of the structures, it is shown that the method is order N in the total number of coordinates of the system. The overall formulation has the advantage that it permits fine parallelization and does not rely on system topology to induce concurrency. It can be efficiently implemented on the present generation of parallel computers with a large number of processors. Validation of the method is presented via numerical simulations of space structures incorporating large number of flexible degrees of freedom.

Menon, R. G.↗