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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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NASA NTRS1994

SIGMA: A Knowledge-Based Simulation Tool Applied to Ecosystem Modeling

The need for better technology to facilitate building, sharing and reusing models is generally recognized within the ecosystem modeling community. The Scientists' Intelligent Graphical Modelling Assistant (SIGMA) creates an environment for model building, sharing and reuse which provides an alternative to more conventional approaches which too often yield poorly documented, awkwardly structured model code. The SIGMA interface presents the user a list of model quantities which can be selected for computation. Equations to calculate the model quantities may be chosen from an existing library of ecosystem modeling equations, or built using a specialized equation editor. Inputs for dim equations may be supplied by data or by calculation from other equations. Each variable and equation is expressed using ecological terminology and scientific units, and is documented with explanatory descriptions and optional literature citations. Automatic scientific unit conversion is supported and only physically-consistent equations are accepted by the system. The system uses knowledge-based semantic conditions to decide which equations in its library make sense to apply in a given situation, and supplies these to the user for selection. "Me equations and variables are graphically represented as a flow diagram which provides a complete summary of the model. Forest-BGC, a stand-level model that simulates photosynthesis and evapo-transpiration for conifer canopies, was originally implemented in Fortran and subsequenty re-implemented using SIGMA. The SIGMA version reproduces daily results and also provides a knowledge base which greatly facilitates inspection, modification and extension of Forest-BGC.

Dungan, Jennifer L.↗

NASA NTRS2006

Gravity Modeling for Variable Fidelity Environments

Aerospace simulations can model worlds, such as the Earth, with differing levels of fidelity. The simulation may represent the world as a plane, a sphere, an ellipsoid, or a high-order closed surface. The world may or may not rotate. The user may select lower fidelity models based on computational limits, a need for simplified analysis, or comparison to other data. However, the user will also wish to retain a close semblance of behavior to the real world. The effects of gravity on objects are an important component of modeling real-world behavior. Engineers generally equate the term gravity with the observed free-fall acceleration. However, free-fall acceleration is not equal to all observers. To observers on the sur-face of a rotating world, free-fall acceleration is the sum of gravitational attraction and the centrifugal acceleration due to the world's rotation. On the other hand, free-fall acceleration equals gravitational attraction to an observer in inertial space. Surface-observed simulations (e.g. aircraft), which use non-rotating world models, may choose to model observed free fall acceleration as the gravity term; such a model actually combines gravitational at-traction with centrifugal acceleration due to the Earth s rotation. However, this modeling choice invites confusion as one evolves the simulation to higher fidelity world models or adds inertial observers. Care must be taken to model gravity in concert with the world model to avoid denigrating the fidelity of modeling observed free fall. The paper will go into greater depth on gravity modeling and the physical disparities and synergies that arise when coupling specific gravity models with world models.

Madden, Michael M.↗

DOE OSTI2024

Complete Optimization of LPBF Ni-Based Alloys Down-Selected from FY23 Candidate Materials Including, Thermodynamic Modeling, Sample Fabrication and Microstructure Characterization

The goal of the Advanced Materials and Manufacturing Technologies (AMMT) program is to accelerate the incorporation of new materials and manufacturing technologies into advanced nuclear-related systems. Although 316H stainless steel fabricated by laser powder bed fusion (LPBF) has already been identified as an alloy that could have a significant effect on various reactor technologies, many other materials and manufacturing techniques are being evaluated. Nickel-based alloys typically offer higher-temperature capabilities compared with advanced stainless steels, and previous reports looked at three Ni-based alloy categories: low-Co alloys with a potential use close to the reactor core; high-temperature, high-strength alloys; and molten salt–compatible alloys. In the first category, alloy 718 was studied in 2023, and creep testing at 600°C and 650°C revealed that the alloy exhibited great creep strength after the appropriate annealing but had low ductility. Advanced characterization was recently conducted to highlight the presence of strengthening γ' and γ" precipitates after creep testing and to show that brittle phases at grain boundaries might explain the low ductility of LPBF 718 compared with wrought 718. For the high-temperature, high-strength alloys, previously purchased powders of alloys 617, 230, and 625 were used to assess the printability of these three solution-strengthened alloys. Hot cracking could not be suppressed for alloy 617 and 230, and it was shown that these cracks, which were elongated along the build direction (BD), had a drastic effect on the ductility of alloy 230 at room temperature when specimens were machined perpendicular to the BD. On the contrary, LPBF printing of crack-free alloy 625 was achieved using similar printing parameters, and the alloy looked like a promising candidate for various reactor technologies. The fabrication of alloy 282 by LPBF, a γ'-strengthened alloy with great creep strength up to 800°C, was performed in 2023, and x-ray computed tomography (XCT) scans of the alloy before and after creep testing at 750°C were carried out to assess the effect of flaws on the alloy’s creep behavior. Correlation between the flaws’ volume fraction, creep ductility, and creep lifetime could be established, and future work on LPBF 625 will take full advantage of in situ printing data and ex situ XCT scans to accelerate the alloy qualification. Finally, single track experiments were performed on the two alloys previously identified as good molten salt–resistant, Ni-based candidates: Hastelloy N and 244. Various laser parameters were considered, and cracking was not observed for either of the two alloys. Wrought 244 offers better creep strength and molten salt compatibility than alloy 625, and future work will aim to establish the alloy LPBF processing window.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Entropy-based feature selection for capturing impacts in Earth system models with extreme forcing

Explore the source record for details and available documents.

Watkins, Jerry Enrique↗

DOE OSTI2024

Cluster-dynamics-based parameterization for sulfuric acid–dimethylamine nucleation: comparison and selection through box and three-dimensional modeling

Clustering of gaseous sulfuric acid (SA) enhanced by dimethylamine (DMA) is a major mechanism for new particle formation (NPF) in polluted atmospheres. However, uncertainty remains regarding the SA–DMA nucleation parameterization that reasonably represents cluster dynamics and is applicable across various atmospheric conditions. This uncertainty hinders accurate three-dimensional (3-D) modeling of NPF and the subsequent assessment of its environmental and climatic impacts. Here we extensively compare different cluster-dynamics-based parameterizations for SA–DMA nucleation and identify the most reliable one through a combination of box model simulations, 3-D modeling, and in situ observations. Results show that the parameterization derived from Atmospheric Cluster Dynamic Code (ACDC) simulations, incorporating the latest theoretical insights (DLPNO-CCSD(T)/aug-cc-pVTZ//ωB97X-D/6-311++G(3df,3pd) level of theory) and adequate representation of cluster dynamics, exhibits dependable performance in 3-D NPF simulation for both winter and summer conditions in Beijing and shows promise for application in diverse atmospheric conditions. Another ACDC-derived parameterization, replacing the level of theory with RI-CC2/aug-cc-pV(T+d)Z//M06-2X/6–311++G(3df,3pd), also performs well in NPF modeling at relatively low temperatures around 280 K but exhibits limitations at higher temperatures due to inappropriate representation of SA–DMA cluster thermodynamics. Additionally, a previously reported parameterization incorporating simplifications is applicable for simulating NPF in polluted atmospheres but tends to overestimate particle formation rates under conditions of elevated temperature (>∼300 K) and low-condensation sink (<∼3×10 -3 s −1 ). Our findings highlight the applicability of the new ACDC-derived parameterization, which couples the latest SA–DMA nucleation theory and holistic cluster dynamics, in 3-D NPF modeling. The ACDC-derived parameterization framework provides a valuable reference for developing parameterizations for other nucleation systems.

Shen, Jiewen↗

NASA NTRS1965

Phase 1, simulation of selected discrete networks. Volume one - The logic model Final report

Methodology and Boolean equations for constructing discrete network system model

DISCRETE FUNCTION↗

NASA NTRS1969

Self-consistent many-electron theory of electron work functions and surface potential characteristics for selected metals.

Free electron model for electron work functions and number density distributions and surface potentials in metals

Smith, J. R.↗

NASA NTRS1990

Freedom Station wall design using hydrodynamic modelling

The paper outlines selected outputs from an ongoing Marshall Space Flight Center/US Army Corps of Engineers parametric study of the effects of meteoroid/space debris impacts on Space Station Freedom module wall protection structures. The advantages and limitations of HULL hydrocode computer simulation are discussed, and examples of meteoroid/ debris impacts on various wall structural designs are presented. Trends in the terminal effects of particle sizes, velocities, shapes, and impact angles upon structural design parameters (wall and bumper thickness and spacing) are summarized and depicted through selected simulation runs. Throughout the paper, proposed structural modifications to the baseline module protection structure will be examined which are capable of mitigating damage from particle impacts.

Williamsen, Joel E.↗

NASA NTRS2012

Mode Selection Techniques in Variable Mass Flexible Body Modeling

In developing a flexible body spacecraft simulation for the Launch Abort System of the Orion vehicle, when a rapid mass depletion takes place, the dynamics problem with time varying eigenmodes had to be addressed. Three different techniques were implemented, with different trade-offs made between performance and fidelity. A number of technical issues had to be solved in the process. This paper covers the background of the variable mass flexibility problem, the three approaches to simulating it, and the technical issues that were solved in formulating and implementing them.

Launch Abort System↗

NASA NTRS1972

Error model for the SAO 1969 standard earth.

A method is developed for estimating an error model for geopotential coefficients using satellite tracking data. A single station's apparent timing error for each pass is attributed to geopotential errors. The root sum of the residuals for each station also depends on the geopotential errors, and these are used to select an error model. The model chosen is 1/4 of the difference between the SAO M1 and the APL 3.5 geopotential.

Martin, C. F.↗

NASA NTRS2023

Numerical Investigation of Occupant Injury Risks During A Realistic Transport Aircraft Crash Conditions

Researchers at the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) have conducted a full-scale crash test of a Fokker F28 MK1000 aircraft to investigate the performance of transport aircraft under realistic crash conditions. This crash test was computationally recreated using finite element (FE) human body models (HBMs) to further explore potential injury risks to occupants and analyze the utilization of HBMs in the aerospace crash environment. The Global Human Body Model Consortium (GHBMC) male 50th percentile occupant detailed model (v6.0) and the Toyota Human Model for Safety (THUMS) male 50th percentile occupant model (v6.1) were selected to be used in the crash simulations. The HBMs were simulated in conditions matching those of anthropomorphic test device (ATD) experiments included within the aircraft cabin during the crash test. Seven occupant locations within the cabin were simulated utilizing each of the models. The models were positioned in a neutral upright posture with hands resting on the legs and the feet contacting the floor. Head, brain, neck, and lumbar vertebra injury metrics were calculated for all trials. Both HBM models required minor modifications to stabilize these simulations. The GHBMC model required added erosion for six parts while the THUMS model only required one in order to complete the full simulation. The THUMS model, however, required a much smaller timestep for stability and therefore took significantly more computational time. In addition the GHBMC model includes integrated instrumentation while the THUMS model requires development and implementation of instrumentation. Both models predicted 100% injury risk for lumbar vertebra fracture in all test conditions. This prediction was in family with high lumbar load values measured by the ATDs during the crash test. The THUMS model consistently predicted lower injury risks than the GHBMC model in all three other metrics varying depending on the crash pulse. Overall, the THUMS model required less modifications to allow for this study. However, the GHBMC models significantly faster run time and integrated instrumentation make it a more intuitive model for this research.

Crashworthiness↗

NASA NTRS2009

Enhancement of USM3D Unstructured Flow Solver for High-Speed High-Temperature Shear Flows

Large temperature and pressure fluctuations have a profound effect on turbulence development in transonic and supersonic jets. For high-speed, high-temperature jet flows, standard turbulence models lack the ability to predict the observed mixing rate of a shear layer. Several proposals to address this deficiency have been advanced in the literature to modify the turbulence transport equations in a variety of ways. In the present study, some of the most proven and simple modifications to two-equation turbulence models have been selected and implemented in NASA's USM3D tetrahedral Navier-Stokes flow solver. The modifications include the addition of compressibility correction and pressure dilatation terms in the turbulence transport equations for high-speed flows, and the addition of a simple modification to the Boussinesq's closure model coefficient for high-temperature jets. The efficacy of the extended models is demonstrated by comparison with experimental data for two supersonic axisymmetric jet test cases at design pressure ratio.

Pandya, Mohagna J.↗

DOE OSTI2025

Advancements in Constitutive Model Calibration: Leveraging the Power of Full‐Field DIC Measurements and In Situ Load Path Selection for Reliable Parameter Inference

Accurate material characterization and model calibration are essential for computationally supported high-consequence engineering decisions. Historically, characterization and calibration methods (1) use simplified test specimen geometries and global data, (2) cannot guarantee that sufficient characterization data are collected for a specific model of interest, (3) use deterministic methods that provide best-fit parameter values with no uncertainty quantification, and (4) are sequential, inflexible, and time-consuming. This work brings together several recent advancements into an improved workflow called interlaced characterization and calibration (ICC) that advances the state-of-the-art in constitutive model calibration. The ICC paradigm (1) employs tools to efficiently use full-field data to calibrate high-fidelity material models, (2) aligns the data needed with the data collected by adopting an optimal experimental design protocol, (3) quantifies parameter uncertainty through Bayesian inference and (4) incorporates these advancements into a quasi real-time feedback loop. The ICC framework is demonstrated here on the calibration of a material model using simulated full-field data for an aluminium cruciform specimen being deformed biaxially. The cruciform is actively driven through the myopically preferred load path using Bayesian optimal experimental design, which selects load steps that yield the maximum expected information gain (EIG). Principal component analysis (PCA) is performed on the model predictions of full-field displacements, and fast surrogate models are built to approximate the input-output relationships of the expensive finite element model. Furthermore, the tools developed and demonstrated here show that high-fidelity constitutive models can be efficiently and reliably calibrated with quantified uncertainty, thus supporting credible decision-making and potentially increasing the agility of solid mechanics modelling by enabling utilization of computational simulations at earlier stages of the design cycle.

Bayesian optimal experimental design↗

DOE OSTI2026

Post-fire time series of sensor and geochemistry sample data from surface water, groundwater, precipitation, soil, and vegetation across Oak Creek watershed, Washington

This dataset supports a broader study examining wildfire impacts on hydrologic connectivity across 5 sites within the Oak Creek watershed and the resulting biogeochemical impacts. Stream sites were selected using the Advanced Terrestrial Simulator (ATS) hydrologic model to identify locations with varying groundwater contributions and hydrologic responses across different burn severity scenarios. The Retreat Fire burned from July 23 to August 2 in 2024, affecting the five study sites at varying burn severities. Each site is equipped with YSI EXO2 sondes logging sub-hourly throughout the year, and grab samples are collected approximately every six weeks. YSI sondes are used to measure temporally resolved proxies for groundwater inputs (specific conductivity) and organic matter (fluorescent dissolved organic matter; fDOM) along with basic water quality and depth. Grab samples of surface water, groundwater, and precipitation are analyzed for water stable isotopes and conductivity to understand endmembers for hydrologic mixing Grab samples of surface water, groundwater, soil water, and litter/vegetation/soil leachates are analyzed for organic matter composition measured by Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR-MS) to understand organic matter dynamics. Game camera photos are provided in a separate data package available at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3018598. Future versions of this dataset will include time series data from YSI EXO2 sondes (fDOM, dissolved oxygen, temperature, depth, specific conductance, turbidity, pH), BaroTROLL sensors (air temperature and barometric pressure), rain gauges (precipitation), and data from the soil and vegetation samples. Because this study is ongoing, this data package will be updated regularly to include newly collected data and the additional data types. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset is comprised of (1) a folder of field photos; (2) a folder of surface water sample data; (3) a folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data; (4) a data checks report; (5) file-level metadata; (6) data dictionary; (7) field metadata; (8) readme; (9) international generic sample number (IGSN) mapping file; and (10) field protocols. The sample data subfolder contains (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (2) total dissolved nitrogen data and averages; (3) stable water isotopes and averages; (4) methods codes; (5) FTICR-MS methods; and (15) a subfolder of 9.4 Tesla (9.4T) FTICR-MS data. This folder contains the processed data and three subfolders, one containing the .xml files, one containing the water CoreMS output files, and the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS). All files are .csv, .pdf, .R, .xml, .d, .html, .Rmd, .py, .cal, .json, .jpg, .jpeg, .png, .mov, or .mp4.

Biogeochemistry↗

DOE OSTI2026

Post-fire time series photos from five sites across the Oak Creek watershed, Washington

Burn severity↗

NASA NTRS1980

Bulk compositions of chondrules in the Allende meteorite

The bulk chemistries of 33 chondrules from the Allende meteorite were determined by electron microbeam analyses and the modal recombination model. Chondrules were selected on the basis of a petrographic study of 2755 inclusions, of which 997 are chondrules, classified as recrystallized olivine chondrules, euhedral olivine chondrules, anhedral olivine chondrules, glassy/skeletal olivine chondrules, barred olivine chondrules, and pyroxene type chondrules. The data indicate that nonequilibrium metastable paths of crystallization were followed, a model which is supported by olivine-liquid (glassy mesostases) relationships. Variations in olivine morphology are related to cooling rate, degree of supercooling, normative olivine, and calculated viscosities. The chondrules in Allende were derived from highly undersaturated ultramafic melts in which Fe-Ni-S-O immiscible liquids were produced. The chondrule suite exhibits systematic variations in volatile loss, and this relationship is used to support a melting event (however, neither the nature of this event nor the mechanism of melt formation is established).

Simon, S. B.↗

NASA NTRS2008

User Guide for the Anvil Threat Cooridor Forecast Tool V2.4 for AWIPS

The Anvil Tool GUI allows users to select a Data Type, toggle the map refresh on/off, place labels, and choose the Profiler Type (source of the KSC 50 MHz profiler data), the Date- Time of the data, the Center of Plot, and the Station (location of the RAOB or 50 MHz profiler). If the Data Type is Models, the user selects a Fcst Hour (forecast hour) instead of Station. There are menus for User Profiles, Circle Label Options, and Frame Label Options. Labels can be placed near the center circle of the plot and/or at a specified distance and direction from the center of the circle (Center of Plot). The default selection for the map refresh is "ON". When the user creates a new Anvil Tool map with Refresh Map "ON, the plot is automatically displayed in the AWIPS frame. If another Anvil Tool map is already displayed and the user does not change the existing map number shown at the bottom of the GUI, the new Anvil Tool map will overwrite the old one. If the user turns the Refresh Map "OFF", the new Anvil Tool map is created but not automatically displayed. The user can still display the Anvil Tool map through the Maps dropdown menu* as shown in Figure 4.

Barett, Joe H., III↗

NASA NTRS2023

A Technique to Measure Coronal Electron Density, Temperature, and Velocity Above 2.5 R⨀ from Sun Center using Polarized Brightness Spectrum

The current model for the polarized brightness (pB) spectrum has a decades-long history of progressively incorporating its dependence on electron density Ne, temperature Te, and flow velocity in the radial direction V e . The pB N e spectrum follows the exact shape of the photosphere spectrum, which is not smooth, which is expected from the thermal Doppler broadening of the photosphere spectrum due to the high coronal T e ; the pB N e T e spectrum is smooth, but the free coronal electrons remain static and unaffected by solar wind, and the pB N e T e V e spectrum is red-shifted by electrons seeing a red-shifted photosphere spectrum as they flow away from the Sun as solar wind, which takes a radial direction above 2.5 R ⨀ from Sun center. In this article, we review the progress of the above three model pB spectra in describing the observations and highlight the differences, first by comparing the three model pB spectra against wavelength using a model for Ne and constant values for T e and V e , and second by generating three model 2D pB maps by integrating over a selected wavelengthregion in the three model pB spectra along lines of sight passing through the 14 July 2000 (“Bastille Day”) coronal mass ejection (CME) model, which contains 3D information on N e , T e , and V e . In this regard, the COronal Diagnostic EXperiment (CODEX) on the International Space Station (ISS) in 2024 will measure N e , T e , and V e by matching the measured pB with modeled pB N e T e V e in selected wavelength regions using multiple filters.

Electron density↗