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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Atmospheric infrared sounder

This report summarizes the activities of two Atmospheric Infrared Sounder (AIRS) team members during the first half of 1995. Changes to the microwave first-guess algorithm have separated processing of Advanced Microwave Sounding Unit A (AMSU-A) from AMSU-B data so that the different spatial resolutions of the two instruments may eventually be considered. Two-layer cloud simulation data was processed with this algorithm. The retrieved water vapor column densities and liquid water are compared. The information content of AIRS data was applied to AMSU temperature profile retrievals in clear and cloudy atmospheres. The significance of this study for AIRS/AMSU processing lies in the improvement attributable to spatial averaging and in the good results obtained with a very simple algorithm when all of the channels are used. Uncertainty about the availability of either a Microwave Humidity Sensor (MHS) or AMSU-B for EOS has motivated consideration of possible low-cost alternative designs for a microwave humidity sensor. One possible configuration would have two local oscillators (compared to three for MHS) at 118.75 and 183.31 GHz. Retrieval performances of the two instruments were compared in a memorandum titled 'Comparative Analysis of Alternative MHS Configurations', which is attached.

Rosenkranz, Philip, W.↗
DOE OSTI2020

Successes and Challenges of the Integrated Waste Treatment Unit's 50-Day Demonstration Run - 20151

The Integrated Waste Treatment Unit (IWTU) has been tasked with using steam reforming technology to treat 3.4 million liters (900,000 gallons) of radioactive sodium-bearing waste (SBW) at the Idaho National Laboratory (INL). The project has been hampered by a number of processing issues associated with process equipment during simulant testing, with the two main issues involving the fluidizing gas distribution system in the main reactor vessel, the denitration mineralization reformer (DMR), and high differential pressures in the main filter vessel, the process gas filter (PGF). Following the replacement of the fluidizing gas distribution system in the DMR, a successful 30-day demonstration run was performed that revealed unacceptable bridging in the filter bundles of the PGF. The bundles were replaced with new ones, and a 50-day demonstration run was performed. The main purpose of this run was to operate the IWTU over a range of operating conditions. Overall, the run was a success; however, there were multiple challenges that arose from the run. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2012

Observations and Simulations of Formation of Broad Plasma Depletions Through Merging Process

Broad plasma depletions in the equatorial ionosphere near dawn are region in which the plasma density is reduced by 1-3 orders of magnitude over thousands of kilometers in longitude. This phenomenon is observed repeatedly by the Communication/Navigation Outage Forecasting System (C/NOFS) satellite during deep solar minimum. The plasma flow inside the depletion region can be strongly upward. The possible causal mechanism for the formation of broad plasma depletions is that the broad depletions result from merging of multiple equatorial plasma bubbles. The purpose of this study is to demonstrate the feasibility of the merging mechanism with new observations and simulations. We present C/NOFS observations for two cases. A series of plasma bubbles is first detected by C/NOFS over a longitudinal range of 3300-3800 km around midnight. Each of the individual bubbles has a typical width of approx 100 km in longitude, and the upward ion drift velocity inside the bubbles is 200-400 m/s. The plasma bubbles rotate with the Earth to the dawn sector and become broad plasma depletions. The observations clearly show the evolution from multiple plasma bubbles to broad depletions. Large upward plasma flow occurs inside the depletion region over 3800 km in longitude and exists for approx 5 h. We also present the numerical simulations of bubble merging with the physics-based low-latitude ionospheric model. It is found that two separate plasma bubbles join together and form a single, wider bubble. The simulations show that the merging process of plasma bubbles can indeed occur in incompressible ionospheric plasma. The simulation results support the merging mechanism for the formation of broad plasma depletions.

plasma bubbles↗
NASA NTRS1989

Tools for 3D scientific visualization in computational aerodynamics

The purpose is to describe the tools and techniques in use at the NASA Ames Research Center for performing visualization of computational aerodynamics, for example visualization of flow fields from computer simulations of fluid dynamics about vehicles such as the Space Shuttle. The hardware used for visualization is a high-performance graphics workstation connected to a super computer with a high speed channel. At present, the workstation is a Silicon Graphics IRIS 3130, the supercomputer is a CRAY2, and the high speed channel is a hyperchannel. The three techniques used for visualization are post-processing, tracking, and steering. Post-processing analysis is done after the simulation. Tracking analysis is done during a simulation but is not interactive, whereas steering analysis involves modifying the simulation interactively during the simulation. Using post-processing methods, a flow simulation is executed on a supercomputer and, after the simulation is complete, the results of the simulation are processed for viewing. The software in use and under development at NASA Ames Research Center for performing these types of tasks in computational aerodynamics is described. Workstation performance issues, benchmarking, and high-performance networks for this purpose are also discussed as well as descriptions of other hardware for digital video and film recording.

Bancroft, Gordon↗
DOE OSTI2023

Virtual Engineering Software Framework for Integrated Biomass Conversion Modeling

This presentation covers the design and implementation of a software tool to systematically connect computational models of unit operations to simulate an integrated process of low-temperature conversion of biomass to fuel. This virtual engineering (VE) software was designed with the overarching goal of connecting unit models written in various programming languages and requiring different computational resources within a single, flexible framework. The models and features currently considered for the VE library include mechanistic models for pretreatment, enzymatic hydrolysis, and aerobic bioreaction; high-fidelity computational fluid dynamics (CFD) simulations for enzymatic hydrolysis and aerobic bioreaction; and the capability to perform techno-economic analyses (TEA) using Aspen Plus, a commercial software package. The CFD models require access to high-performance computing (HPC) resources, so in addition to handling multiple programming languages and interfaces, the VE software must also be capable of interacting with an HPC scheduler to submit, run, and post-process jobs. Using the Python programming language, a new VE software package has been developed that contains functionality to manage the input-output communication between various unit models, schedule simulations to run on NREL's HPC and analyze those results, and interface with existing TEA software workflows. A Jupyter-notebook GUI was also created to solicit user input and provide documentation. In cases where multiple models for a particular unit-operation exist, selection between models is accomplished through a simple checkbox, with the appropriate inputs and outputs being parsed and converted seamlessly in the background. Each operation makes use of a different programming language, but the flow of information from pretreatment to enzymatic hydrolysis to bioreaction is managed with an intuitive, centralized file-communication strategy. In this talk, the programming approach and implementation details of the notebook are presented for multiple possibilities of the conversion process, including a demonstration of the ability to manage HPC resources. Additionally, an example of a sensitivity study of treatment parameters governing the overall conversion outcome is shown which highlights the ease of defining new problems using the VE Notebook workflow and leads into a discussion of ongoing work to enable outer-loop optimization studies.

biofuel↗
DOE OSTI2023

Temporally continuous thermofluidic–thermomechanical modeling framework for metal additive manufacturing

Additive manufacturing (AM) is known to generate large magnitudes of residual stresses (RS) within builds due to steep and localized thermal gradients. In the current state of commercial AM technology, manufacturers generally perform heat treatments in effort to reduce the generated RS and its detrimental effects on part distortion and in-service failure. Computational models that effectively simulate the deposition process can provide valuable insights to improve RS distributions. Accordingly, it is common to employ Computational fluid dynamics (CFD) models or finite element (FE) models. While CFD can predict geometric and thermal-fluid behavior, it cannot predict the structural response (e.g., stress–strain) behavior. On the other hand, an FE model can predict mechanical behavior, but it lacks the ability to predict geometric and fluid behavior. Thus, an effectively integrated thermofluidic–thermomechanical modeling framework that exploits the benefits of both techniques while avoiding their respective limitations can offer valuable predictive capability for AM processes. In contrast to previously published efforts, the work herein describes a one-way coupled CFD-FEA framework that abandons major simplifying assumptions, such as geometric steady-state conditions, the absence of material plasticity, and the lack of detailed RS evolution/accumulation during deposition, as well as insufficient validation of results. Here, the presented framework is demonstrated for a directed energy deposition (DED) process, and experiments are performed to validate the predicted geometry and RS profile. Both single- and double-layer stainless steel 316L builds are considered. Geometric data is acquired via 3D optical surface scans and X-ray micro-computed tomography, and residual stress is measured using neutron diffraction (ND). Comparisons between the simulations and measurements reveal that the described CFD-FEA framework is effective in capturing the coupled thermomechanical and thermofluidic behaviors of the DED process. The methodology presented is extensible to other metal AM processes, including power bed fusion and wire-feed-based AM.

42 ENGINEERING↗
DOE OSTI2023

Demonstration of a quantum-classical coprocessing protocol for simulating nuclear reactions

Quantum computers hold great promise for exact simulations of nuclear dynamical processes (e.g., scattering and reactions), which are paramount to the study of nuclear matter at the limit of stability and in the formation of chemical elements in stars. However, quantum simulations of the unitary (real) time dynamics of fermionic many-body systems require a currently prohibitive number of reliable and long-lived qubits. Here we propose a co-processing algorithm for the simulation of real-time dynamics in which the time evolution of the spatial coordinates is carried out on a classical processor, while the evolution of the spin degrees of freedom is carried out on quantum hardware. We demonstrate this hybrid scheme with the simulation of two neutrons scattering at the Lawrence Berkeley National Laboratory's Advanced Quantum Testbed. After implementing error mitigation strategies to improve the accuracy of the algorithm in addition to a combination of circuit compression techniques and tomography as methods to elucidate the onset of decoherence, our results validate the principle of the proposed co-processing scheme. A generalization of this present scheme will open the way for (real-time) path integral simulations of nuclear scattering.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Efficient Synthetic Natural Gas Production from Direct Air Capture Using Titania-Based Dual Function Materials

Converting atmospheric CO2 into methane offers a compelling pathway to store intermittent renewable electricity and enhance energy security using existing natural gas infrastructure. However, current CO2 utilization approaches remain energy- and capital-intensive, largely due to the need for separate capture, purification, and conversion steps. Integrating CO2 capture with catalytic methanation represents a transformative strategy for process intensification on both the unit operation and molecular levels. We report a series of Ru-Na/TiO2 dual function materials (DFMs) for a reactive carbon capture (RCC) process consisting of simulated direct air capture and subsequent CO2 methanation (DACM). Superior methane desorption purity was observed on TiO2-based DFMs (>94 %) relative to state-of-the-art Al2O3-supported DFMs (77 %). Modifying the process to begin CO2 adsorption immediately following the methanation stage, rather than beginning adsorption near ambient temperature, resulted in >97 % methane desorption purity, suitable for injection into the natural gas pipeline without additional CO2 separation steps.

organic↗
DOE OSTI2022

Evaluation of subsurface transport processes of delayed gas signatures applicable to underground nuclear explosions

Radioactive gas signatures from underground nuclear explosions (UNEs) result from gas-migration processes occurring in the subsurface. The processes considered in this study either drive or retard upward migration of gases from the detonation cavity. The relative importance of these processes is evaluated by simulating subsurface transport in a dual-permeability medium for the multi-tracer Noble Gas Migration Experiment (NGME) originally intended to study some aspects of transport from a UNE. For this experiment, relevant driving processes include weak two-phase convection driven by the geothermal gradient, over pressuring of the detonation cavity, and barometric pumping while gas sorption, dissolution, radioactive decay, and usually diffusion represent retarding processes. From deterministic simulations we found that over-pressuring of the post-detonation chimney coupled with barometric pumping produced a synergistic effect amplifying the tracer-gas reaching the surface. Bounding simulations indicated that the sorption and dissolution of gases, tending to retard transport, were much smaller than anticipated by earlier laboratory studies. The NGME observations themselves show that differences in gas diffusivity have a larger effect on influencing upward transport than do the combined effects of tracer-gas sorption and dissolution, which is consistent with a Sobol’ sensitivity analysis. Both deterministic simulations and those considering parametric uncertainties of transport-related properties predict that the excess in concentration of SF 6 compared to 127 Xe as might be captured in small volumetric samples should be much smaller than the order-of-magnitude contrast found in the large-volume gas samples taken at the site. While extraction of large-volume subsurface gas samples is shown to be capable of distorting in situ gas compositions, the highly variable injection rate of SF 6 into the detonation cavity relative to that of 127 Xe at the start of the field experiment is the most likely explanation for the large difference in observed concentrations.

58 GEOSCIENCES↗
DOE OSTI2026

Data and Code for: Observation-constrained agroecosystem model inversion reveals continental-scale variation of winter wheat traits

This repository contains the simulation outputs and processing scripts associated with the study of winter wheat traits across the United States, utilizing the Ecosys agroecosystem model. The dataset includes model results for both rainfed and irrigated winter wheat systems, supporting the findings presented in the manuscript titled "Observation-constrained agroecosystem model inversion reveals continental-scale variation of winter wheat traits." Data includes the original Ecosys simulation outputs (archived in .db format within the compressed .zip files) and extracted analysis data (stored in .pkl files for efficient processing). Python code for data processing and figure generation is provided in a Jupyter notebook. External Observational Datasets should refer to the following official repositories for the input and validation data used in this study. The eddy covariance data from the AmeriFlux network (https://ameriflux.lbl.gov/). Climate-forcing data of NLDAS-2 from NASA LDAS (https://ldas.gsfc.nasa.gov/nldas/nldas-2-forcing-data). Soil data from the Gridded Soil Survey Geographic Database (gSSURGO), available at (https://www.nrcs.usda.gov/resources/data-and-reports/gridded-soil-survey-geographic-gssurgo-database). Crop yields, planting and harvest dates from the USDA public databases (https://quickstats.nass.usda.gov/; https://webapp.rma.usda.gov/apps/actuarialinformationbrowser/CropCriteria.aspx). Satellite-derived SLOPE GPP data from ORNL DAAC (https://daac.ornl.gov/cgi-bin/dsviewer.pl?ds_id=1786). Land use and crop progress information from the USDA Crop Data Layer and Crop Progress and Condition Gridded Layers (https://www.nass.usda.gov/Research_and_Science/). The Ecosys model code is available online at https://github.com/jinyun1tang/ECOSYS.

Wheat↗
NASA NTRS2000

Coupled Model Simulation of Snowfall Events Over the Black Hills

Although many long-term simulations of snow accumulation and oblation have been made using stand-alone land surface models and surface models coupled with GCMs, less research has focused on short-term event simulations. Actually, accurate event simulations of snow-related processes are the basis for successful long-term simulation. Three advantages of event simulations of snowfall and snow melting are availability of: (1) intensive observation data from field experiments for validation; (2) more physically-realistic precipitation schemes for use in atmospheric models to simulate snowfall; and (3) a more detailed analysis of the snow melting processes. In addition to the complexities of snow related processes themselves, terrain-induced effects on snowfall/snow melting make simulations of snow events more difficult. Climatological observations indicate that terrain features such as the Black Hills of South Dakota and Wyoming can exert important effects on snow accumulation and snow oblation processes. One of the primary effects is that the orography causes forced uplift of airflow and causes atmospheric waves to form both upwind and downwind of it. Airflow often splits around the obstacle, converging on the lee side. This convergence may lead to precipitation enhancement. It also provides an elevated heat and moisture source that enhances atmospheric instability. During the period of April 5-May 5, 1999, the Upper Missouri River Basin Pilot Project (UMRBPP) made intensive observations on precipitation events occurring in the Black Hills. Two moderate snowfall events were captured during the period. The resulting high temporal and spatial resolution data provides opportunities to investigate terrain effects on snowfall amount, distribution, and melting. Successful simulation of snowfall amount, distribution, and evolution using atmospheric models is important to subsequent modeling of snow melting using snow sub-models in land surface schemes. In this paper, a coupled model system, consisting of an atmosphere model (ARPS) and a land-surface model (revised NCAR LSM), is used to simulate one of these UMRBPP cases.

Wang, Jianzhong↗
DOE OSTI2021

Wide-blocky veins explained by dependency of crystal growth rate on fracture surface type: Insights from phase-field modeling

Vein microstructures contain a wealth of information on coupled chemical and mechanical processes of fracturing, fluid transport, and crystal growth. Numerical simulations have been used for exploring the factors controlling the development of vein microstructures; however, they have not been quantitatively validated against natural veins. Here we combined phase-field modeling with microtextural analysis of previously unexplained wide-blocky calcite veins in natural limestone and of the fresh fracture surface in this limestone. Results show that the wide-blocky vein textures can only be reproduced if ~10%–20% of crystals grow faster than the rest. This fraction corresponds to the amount of transgranularly broken grains that were observed on the experimental fracture surfaces, which are dominantly intergranular. We hypothesize that transgranular fractures allow faster growth of vein minerals due to the lack of clay coatings and other nucleation discontinuities that are common along intergranular cracks. Our simulation results show remarkable similarity to the natural veins and reproduce the nonlinear relationship between vein crystal width and vein aperture. This allows accurate simulations of crystal growth processes and related permeability evolution in fractured rocks.

Geology↗
NASA NTRS1976

Simulation of the Effects of Hard Limiting on Image Quality of Synthetic Aperture Radar

Starting with a magnetic tape of a scene viewed by the Landsat satellite, the radar return of reflectors whose average intensity matched that of the picture elements in the scene has been simulated. The returns were processed in three ways: normally or with no quantization, with a procedure simulation IF hard limiting, and with a procedure simulating video (baseband) hard limiting. For each type of processing an image for a one, two, and four-look system has been developed. It was found that IF limiting is slightly better than video limiting, while both can be reasonable trade-offs of image quality for reduced data rates when the number of looks is four or less. These conclusions are supported by photographs representing the different processing techniques.

Lipes, R. G.↗
NASA NTRS1998

Software Smarts

Under an SBIR (Small Business Innovative Research) contract with Johnson Space Center, Knowledge Based Systems Inc. (KBSI) developed an intelligent software environment for modeling and analyzing mission planning activities, simulating behavior, and, using a unique constraint propagation mechanism, updating plans with each change in mission planning activities. KBSI developed this technology into a commercial product, PROJECTLINK, a two-way bridge between PROSIm, KBSI's process modeling and simulation software and leading project management software like Microsoft Project and Primavera's SureTrak Project Manager.

Source record↗
NASA NTRS2002

Studying the Warm Layer and the Hardening Factor in Cygnus X-1

As the first dynamically determined black hole X-ray binary system, Cygnus X-1 has been studied extensively. However, its broadband spectrum observed with BeppoSax is still not well understood. Besides the soft excess described by the multi-color disk model (MCD), the power-law hard component and a broad excess feature above 10 keV (a disk reflection component), there is also an additional soft component around 1 keV, whose origin is not known currently. Here we propose that the additional soft component is due to the thermal Comptonization between the soft disk photons and a warm plasma cloud just above the disk, i.e., a warm layer. We use the Monte-Carlo technique to simulate this Compton scattering process and build a table model based on our simulation results. With this table model, we study the disk structure and estimate the hardening factor to the MCD component in Cygnus X-1.

Yao, Yangsen↗
DOE OSTI2020

Biomimetic Catalysts Based on Au@ZnO–Graphene Composites for the Generation of Hydrogen by Water Splitting

For some decades, the scientific community has been looking for alternatives to the use of fossil fuels that allow for the planet’s sustainable and environmentally-friendly development. To do this, attempts have been made to mimic some processes that occur in nature, among which the photosystem-II stands out, which allows water splitting operating with different steps to generate oxygen and hydrogen. This research presents promising results using synthetic catalysts, which try to simulate some natural processes, and which are based on Au@ZnO–graphene compounds. These catalysts were prepared by incorporating different amounts of gold nanoparticles (1 wt.%, 3 wt.%, 5 wt.%, 10 wt.%) and graphene (1 wt.%) on the surface of synthesized zinc oxide nanowires (ZnO NWs), and zinc oxide nanoparticles (ZnO NPs), along with a commercial form (commercial ZnO) for comparison purposes. The highest amount of hydrogen (1127 μmol/hg) was reported by ZnO NWs with a gold and graphene loadings of 10 wt.% and 1 wt.%, respectively, under irradiation at 400 nm. Quantities of 759 μmol/hg and 709 μmol/hg were obtained with catalysts based on ZnO NPs and commercial ZnO, respectively. The photocatalytic activity of all composites increased with respect to the bare semiconductors, being 2.5 times higher in ZnO NWs, 8.8 times higher for ZnO NPs, and 7.5 times higher for commercial ZnO. The high photocatalytic activity of the catalysts is attributed, mainly, to the synergism between the different amount of gold and graphene incorporated, and the surface area of the composites.

Machín, Abniel (ORCID:0000000341343344)↗
NASA NTRS2013

Uncertainty in Simulating Wheat Yields Under Climate Change

Projections of climate change impacts on crop yields are inherently uncertain1. Uncertainty is often quantified when projecting future greenhouse gas emissions and their influence on climate2. However, multi-model uncertainty analysis of crop responses to climate change is rare because systematic and objective comparisons among process-based crop simulation models1,3 are difficult4. Here we present the largest standardized model intercomparison for climate change impacts so far. We found that individual crop models are able to simulate measured wheat grain yields accurately under a range of environments, particularly if the input information is sufficient. However, simulated climate change impacts vary across models owing to differences in model structures and parameter values. A greater proportion of the uncertainty in climate change impact projections was due to variations among crop models than to variations among downscaled general circulation models. Uncertainties in simulated impacts increased with CO2 concentrations and associated warming. These impact uncertainties can be reduced by improving temperature and CO2 relationships in models and better quantified through use of multi-model ensembles. Less uncertainty in describing how climate change may affect agricultural productivity will aid adaptation strategy development and policymaking.

exhaust gases↗
NASA NTRS2006

Molecular-dynamics Simulation-based Cohesive Zone Representation of Intergranular Fracture Processes in Aluminum

A traction-displacement relationship that may be embedded into a cohesive zone model for microscale problems of intergranular fracture is extracted from atomistic molecular-dynamics simulations. A molecular-dynamics model for crack propagation under steady-state conditions is developed to analyze intergranular fracture along a flat 99 [1 1 0] symmetric tilt grain boundary in aluminum. Under hydrostatic tensile load, the simulation reveals asymmetric crack propagation in the two opposite directions along the grain boundary. In one direction, the crack propagates in a brittle manner by cleavage with very little or no dislocation emission, and in the other direction, the propagation is ductile through the mechanism of deformation twinning. This behavior is consistent with the Rice criterion for cleavage vs. dislocation blunting transition at the crack tip. The preference for twinning to dislocation slip is in agreement with the predictions of the Tadmor and Hai criterion. A comparison with finite element calculations shows that while the stress field around the brittle crack tip follows the expected elastic solution for the given boundary conditions of the model, the stress field around the twinning crack tip has a strong plastic contribution. Through the definition of a Cohesive-Zone-Volume-Element an atomistic analog to a continuum cohesive zone model element - the results from the molecular-dynamics simulation are recast to obtain an average continuum traction-displacement relationship to represent cohesive zone interaction along a characteristic length of the grain boundary interface for the cases of ductile and brittle decohesion. Keywords: Crack-tip plasticity; Cohesive zone model; Grain boundary decohesion; Intergranular fracture; Molecular-dynamics simulation

Yamakov, Vesselin I.↗