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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Regional tectonic analysis of Venus equatorial highlands and comparison with Earth-based Magellan radar images

Research on regional tectonic analysis of Venus equatorial highlands and comparison with earth-based and Magellan radar images is presented. Over the past two years, the tectonic analysis of Venus performed centered on global properties of the planet, in order to understand fundamental aspects of the dynamics of the mantle and lithosphere of Venus. These include studies pertaining to the original constitutive and thermal character of the planet, as well as the evolution of Venus through time, and the present day tectonics. Parameterized convection models of the Earth and Venus were developed. The parameterized convection code was reformulated to model Venus with an initially hydrous mantle to determine how the cold-trap could affect the evolution of the planet.

Williams, David R.↗
NASA NTRS2000

Numerical Simulation of Dual-Mode Scramjet Combustors

Results of a numerical investigation of a three-dimensional dual-mode scramjet isolator-combustor flow-field are presented. Specifically, the effect of wall cooling on upstream interaction and flow-structure is examined for a case assuming jet-to-jet symmetry within the combustor. Comparisons are made with available experimental wall pressures. The full half-duct for the isolator-combustor is then modeled in order to study the influence of side-walls. Large scale three-dimensionality is observed in the flow with massive separation forward on the side-walls of the duct. A brief review of convergence-acceleration techniques useful in dual-mode simulations is presented, followed by recommendations regarding the development of a reliable and unambiguous experimental data base for guiding CFD code assessments in this area.

Rodriguez, C. G.↗
DOE OSTI2020

Desulfatiglans anilini Initiates Degradation of Aniline With the Production of Phenylphosphoamidate and 4-Aminobenzoate as Intermediates Through Synthases and Carboxylases From Different Gene Clusters

The anaerobic degradation of aniline was studied in the sulfate-reducing bacterium Desulfatiglans anilini. Our aim was to identify the genes and their proteins that are required for the initial activation of aniline as well as to characterize intermediates of this reaction. Aniline-induced genes were revealed by comparison of the proteomes of D. anilini grown with different substrates (aniline, 4- aminobenzoate, phenol, and benzoate). Most genes encoding proteins that were highly abundant in aniline- or 4-aminobenzoate-grown D. anilini cells but not in phenol- or benzoate-grown cells were located in the putative gene clusters ani (aniline degradation), hcr (4-hydroxybenzoyl-CoA reductase) and phe (phenol degradation). Of these putative gene clusters, only the phe gene cluster has been studied previously. Based on the differential proteome analysis, four candidate genes coding for kinase subunits and carboxylase subunits were suspected to be responsible for the initial conversion of aniline to 4-aminobenzoate. These genes were cloned and overproduced in E. coli. The recombinant proteins were obtained in inclusion bodies but could be refolded successfully. Two subunits of phenylphosphoamidate synthase and two carboxylase subunits converted aniline to 4-aminobenzoate with phenylphosphoamidate as intermediate under consumption of ATP. Only when both carboxylase subunits, one from gene cluster ani and the other from gene cluster phe, were combined, phenylphosphoamidate was converted to 4-aminobenzoate in vitro, with Mn 2+ , K + , and FMN as co-factors. Thus, aniline is degraded by the anaerobic bacterium D. anilini only by recruiting genes for the enzymatic machinery from different gene clusters. We conclude, that D. anilini carboxylates aniline to 4-aminobenzoate via phenylphosphoamidate as an energy rich intermediate analogous to the degradation of phenol to 4-hydroxybenzoate via phenylphosphate.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1983

Explanation of the hypersonic longitudinal stability problem: Lessons learned

Inviscid and viscous CFD codes have been applied to a modified Space Shuttle orbiter geometry to investigate differences between preflight aerodynamic predictions and aerodynamic data from hypersonic reentry flight. Flow field solutions were obtained for wind tunnel conditions and flight conditions to assess Mach number, real-gas, and viscous effects on the reentry aerodynamics of the orbiter. Based on the CFD studies, a methodology model has been developed to (1) extrapolate wind tunnel data to flight conditions and (2) calculate a DCM for use with the Aerodynamic Design Data Book. Comparisons are made with selected flight data. Results of the study indicate that the differences between flight and pre-STS-1 predictions of hypersonic pitching moment are primarily due the to Mach number and real-gas effects.

Griffith, B. J.↗
NASA NTRS2010

Design of Structurally Efficient Tapered Struts (SETS)

A study was conducted to develop mass efficient composite struts. A closed-form design methodology for composite struts was developed using well established analyses to predict Euler buckling, local wall buckling; compression strength, damage tolerance, and interlaminar shear at geometric gradients. The methodology was coded in a spreadsheet suitable for convenient and rapid sizing of tapered composite struts. This spreadsheet analysis was used to determine the influence of several variables such as material stiffness, strut diameter, and material allowables on strut weight for given loading conditions. The comparison showed that, while the Park Aerospace design method was well suited to preliminary sizing for a conservative design, the closed-form-analyses-based spreadsheet accounts for all possible failure modes and is a good optimum strut design tool. The report concludes with a set of recommendations for future work in analytical design and analysis methodology enhancements.

Ravi Deo↗
DOE OSTI2023

Predicting displacement damage for ion irradiation: Origin of the overestimation of vacancy production in SRIM full-cascade calculations

Ion irradiation and implantation have wide applications that demand accurate determination of displacement damage profile and distribution of implanted ion concentration. The prediction of vacancies is especially important to determine displacements per atom (dpa), the standard parameter of primary radiation damage in materials. However, significant discrepancies exist in estimations of vacancies between full-cascade (F-C) and quick calculation (Q-C) options in the popular computer code SRIM. This study inspected the SRIM code and a relatively new code called Iradina, which uses a similar methodology, to develop an understanding of the origin of vacancy overestimation in the F-C options for SRIM and Iradina. Here, we found that the default values of thresholds (namely final energy in SRIM and replacement energy in Iradina) in displacement production calculations results in excessively large number of calculated vacancies and very few replacements. After conducting multiple calculations using SRIM, Iradina, and MARLOWE (all based on the binary collision approximation), a comparison of the results indicates that there is a shortcoming in the SRIM and Iradina F-C methodology for treating near-threshold collisions. This issue is responsible for the deficiency of replacements and excess of calculated vacancies in the SRIM and Iradina F-C results. Drawing on the principles of collision physics, we propose recommendations for modifying the source codes to address these issues.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Effects of low frequency waves and spiky electric fields in the magnetotail

Intense low frequency waves and large amplitude spiky electric fields are commonly observed in the active magnetotail. These fields are of dynamic significance for substorms because the amplitude of the waves is large enough to provide the dissipation necessary for reconnection. The waves modify the trajectories of ions in the magnetotail, resulting in enhanced energization and pitch angle scattering in comparison with the trajectories obtained without waves. The spikes may represent the nonlinear evolution of the waves. Observations are presented of low frequency waves and spiky electric fields measured in the plasma sheet. The relationship between the waves and the spikes is compared to wave evolution theories. The Lundquist number is evaluated for the magnetotail based on the wave observations and previously published studies of the current sheet scale sizes. The effects of the waves on the ion trajectories are discussed using the results from a particle tracing code.

Cattell, C.↗
NASA NTRS2010

Assessment of Hybrid RANS/LES Turbulence Models for Aeroacoustics Applications

Predicting the noise from aircraft with exposed landing gear remains a challenging problem for the aeroacoustics community. Although computational fluid dynamics (CFD) has shown promise as a technique that could produce high-fidelity flow solutions, generating grids that can resolve the pertinent physics around complex configurations can be very challenging. Structured grids are often impractical for such configurations. Unstructured grids offer a path forward for simulating complex configurations. However, few unstructured grid codes have been thoroughly tested for unsteady flow problems in the manner needed for aeroacoustic prediction. A widely used unstructured grid code, FUN3D, is examined for resolving the near field in unsteady flow problems. Although the ultimate goal is to compute the flow around complex geometries such as the landing gear, simpler problems that include some of the relevant physics, and are easily amenable to the structured grid approaches are used for testing the unstructured grid approach. The test cases chosen for this study correspond to the experimental work on single and tandem cylinders conducted in the Basic Aerodynamic Research Tunnel (BART) and the Quiet Flow Facility (QFF) at NASA Langley Research Center. These configurations offer an excellent opportunity to assess the performance of hybrid RANS/LES turbulence models that transition from RANS in unresolved regions near solid bodies to LES in the outer flow field. Several of these models have been implemented and tested in both structured and unstructured grid codes to evaluate their dependence on the solver and mesh type. Comparison of FUN3D solutions with experimental data and numerical solutions from a structured grid flow solver are found to be encouraging.

Vatsa, Veer N.↗
DOE OSTI2020

Automated Construction of Potential Energy Surfaces Suitable to Describe van der Waals Complexes with Highly Excited Nascent Molecules: The Rotational Spectra of Ar–CS( v ) and Ar–SiS( v )

Some reactions produce extremely hot nascent products which nevertheless can form sufficiently long-lived van der Waals (vdW) complexes—with atoms or molecules from a bath gas—as to be observed via microwave spectroscopy. Theoretical calculations of such unbound resonance states can be much more challenging than ordinary bound-state calculations depending on the approach employed. One encounters not just the floppy, and perhaps multiwelled potential energy surface (PES) characteristic of vdWs complexes, but in addition, one must contend with excitation of the intramolecular modes and its corresponding influence on the PES. Straightforward computation of the (resonance) rovibrational levels of interest, involves the added complication of the unbound nature of the wave function, often treated with techniques such as introducing a complex absorbing potential. Here, we have demonstrated that a simplified approach of making a series of vibrationally effective PESs for the intermolecular coordinates—one for each reaction product vibrational quantum number of interest—can produce vdW levels for the complex with spectroscopic accuracy. This requires constructing a series of appropriately weighted lower-dimensional PESs for which we use our freely available PES-fitting code AUTOSURF. The applications of this study are the Ar–CS and Ar–SiS complexes, which are isovalent to Ar–CO and Ar–SiO, the latter of which we considered in a previously reported study. Using a series of vibrationally effective PESs, rovibrational levels and predicted microwave transition frequencies for both complexes were computed variationally. A series of shifting rotational transition frequencies were also computed as a function of the diatom vibrational quantum number. The predicted transitions were used to guide and inform an experimental effort to make complementary observations. Comparisons are given for the transitions that are within the range of the spectrometer and were successfully recorded. Calculations of the rovibrational level pattern agree to within 0.2% with experimental measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Testing the Activation Analysis for Fusion in OpenMC

OpenMC is a community-developed Monte Carlo neutron and photon transport simulation code. It can perform fission simulations such as fixed-source, k-eigenvalue, and subcritical multiplication calculations on models built using either a constructive solid geometry or CAD representation. To explore the use of OpenMC for fusion activation analysis, a detailed model of the Fusion Neutronics Science Facility (FNSF) was first developed for comparisons against an existing SERPENT model. A 90-degree model of FNSF in Standard-Triangle-Language (STL) CAD format was converted to Constructive Solid Geometry (CSG) using each code's built-in functions, and the geometries were validated by ensuring no cells overlapped and no particles were lost during simulations. The neutron fluxes were calculated and compared for multiple components close to the plasma. The results show differences mostly below 1% in fluxes and averaged 8% for activity and decay heat. Here, the work described in this study tests the CAD-based geometry using the DagMC toolkit in OpenMC and compares the activation analysis of OpenMC to SERPENT code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Data From: "Warming and snow loss increase reliance on old groundwater in a Colorado River headwater"

This repository contains the data and code associated with the paper titled "Warming and snow loss increase reliance on old groundwater in a Colorado River headwater," published in Nature Geoscience, 2026. This study seeks to answer how various ages of groundwater interact with mountainous streamflow in mountainous headwaters such as the East River. It includes various model-data processing scripts, primarily for ParFlow-CLM analysis of simulated water years 2015-2021, and two numerical warming experiments (+2.5 and +4.0 degrees C), including run scripts, forcing scripts, and post-processing, as well as comparison to observation datasets, detailed below. This data requires the use of R (.r, .rmd), Python (.py), Jupyter Notebook or Jupyter Lab (.ipynb), ParFLOW-CLM, EcoSLIM. Further information on the use of all file formats mentioned below (e.g. .tff. .nc) are provided within the associated scripts and directory where the files are located. Contents & Usage ASO/: ​​Contains the bash and python scripts used to convert airborne snow observatory (ASO) data (ASO, 2023) in various data formats (georeferenced tiff file, NetCDF, UTM, and to latitude/longitude) then regrided to the ParFlow equivalent grid. Output data are in regrid_regll_data.zip and subsequently visualized and analyzed in plot_and_compare.py for Supplementary Figures A14 and A15. The wksht_ASO_comparison.xlsx spreadsheet is used to calculate the data for Supplementary Figure A16. EcoSLIM/: Contains the scripts and input files to run the EcoSLIM particle tracking simulations (/run_scripts) and the post-processing python script (/plot_scripts/eco_agedist_plots.ipynb). Jasechko et al./: Contains the jupyter notebook (Extract_Elevation.ipynb) to determine the outlet elevations of the 260 watersheds used in Jasechko et al. (2016), and the corresponding table, Table_S1_Watersheds_alt.csv. Used to create Supplementary Information Figure A2. PLM_Wells/: Contains the QA/QC-ed groundwater level time series of the PLM-1 and PLM-6 Monitoring Wells from Faybishenko et al. (2023), reformatted to water years used for Supplementary Figures A19 and and A20. ParFlow/: Contains the input files and run scripts to run ParFlow-CLM (/run_scripts), the python and tool command language (Tcl) scripts to create and distribute the ParFlow forcing simulation files (/forcing), and various scripts and intermediary files to analyze the model outputs (/post_process). SQUIRE/: Contains the processing scripts and intermediary files for the Surface QUantitatIve pRecipitation Estimation (SQUIRE) data (Grover, 2023) used to generate Supplementary Figure A18. USGS_Streamflow/: Contains the raw and gap-filled United States Geological Survey streamflow data (U.S. Geological Survey, 2026) used at the Almont station (site number 09112500). Gap-filling is performed in the R script with data from the Taylor station (site number 09110000). (/USGS_09112500_EAST_RIVER_AT_ALMONT_GAP_FILLED/code_almont_streamflow_gap_fill.Rmd). discharge/: Contains the gap-filled discharge data at the Watershed Function SFA East River pumphouse site (Newcomer et al., 2022) used to generate Supplementary Figure A13 and to compute hourly Nash-Sutcliffe model efficiency coefficients (NSE) in Table A4. snotel_and_flux_tower/: Contains the snow telemetry data (U.S. Department of Agriculture, 2024) from the Butte (site ID 380) and Schofield (site ID 737) stations, reformatted by water year, accessed with the snotelr R package. Used to create Supplementary Figure A17. Also contains the flux tower observational data (FluxTower_Pumphouse_ESS-DIVE.ET_only.h.txt) from Ryken et al. (2022) and sap flux transpiration data (MaxB_Transpiration_5Sites.daily_sums.h.txt) from Ryken (2021), used to create Supplementary Figures A22 and A23, respectively. Raw EcoSLIM model outputs are in excess of 24TB, and are stored on National Energy Research Scientific Computing Center (NERSC) and publicly available via the external link provided in the paper.

atmospheric warming↗
DOE OSTI2023

Demonstration of Pronghorn’s Subchannel Code Modeling of Liquid-Metal Reactors and Validation in Normal Operation Conditions and Blockage Scenarios

Pronghorn-SC is a subchannel code within the Multiphysics Object-Oriented Simulation Environment (MOOSE). Initially designed to simulate flows in water-cooled, square lattice, subchannel assemblies, Pronghorn-SC has been expanded to simulate liquid-metal-cooled flows in triangular lattices, hexagonal subchannel assemblies. For this purpose, the algorithm of Pronghorn-SC was adapted to solve the subchannel equations as they are applicable to a hexagonal wire-wrapped sodium-cooled fast reactor. Cheng–Todreas models for pressure drop and cross-flow models were adopted and a coolant heat conduction term was added. To solve these equations, an improved implicit algorithm was developed robust enough to deal with the numerical issues, associated with low flow and recirculation phenomena. To confirm the prediction capability of Pronghorn-SC, calculations and comparisons with available experimental data of 19- and 37-pin assemblies were performed, as well as other subchannel codes. Finally, a flow blockage modeling feature was added. This capability was validated for both water-cooled square sub-assemblies and sodium-cooled hexagonal sub-assemblies, using experimental data of partially and fully blocked cases.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1972

An implicit finite-difference solution to the viscous shock layer, including the effects of radiation and strong blowing

An implicit finite-difference scheme is developed for the fully coupled solution of the viscous, radiating stagnation-streamline equations, including strong blowing. Solutions are presented for both air injection and injection of carbon-phenolic ablation products into air at conditions near the peak radiative heating point in an earth entry trajectory from interplanetary return missions. A detailed radiative-transport code that accounts for the important radiative exchange processes for gaseous mixtures in local thermodynamic and chemical equilibrium is utilized in the study. With minimum number of assumptions for the initially unknown parameters and profile distributions, convergent solutions to the full stagnation-line equations are rapidly obtained by a method of successive approximations. Damping of selected profiles is required to aid convergence of the solutions for massive blowing. It is shown that certain finite-difference approximations to the governing differential equations stabilize and improve the solutions. Detailed comparisons are made with the numerical results of previous investigations. Results of the present study indicate lower radiative heat fluxes at the wall for carbonphenolic ablation than previously predicted.

Garrett, L. B.↗
NASA NTRS1993

The Project for Intercomparison of Land-surface Parameterization Schemes

The Project for Intercomparison of Land-surface Parameterization Schemes (PILPS) is described and the first stage science plan outlined. PILPS is a project designed to improve the parameterization of the continental surface, especially the hydrological, energy, momentum, and carbon exchanges with the atmosphere. The PILPS Science Plan incorporates enhanced documentation, comparison, and validation of continental surface parameterization schemes by community participation. Potential participants include code developers, code users, and those who can provide datasets for validation and who have expertise of value in this exercise. PILPS is an important activity because existing intercomparisons, although piecemeal, demonstrate that there are significant differences in the formulation of individual processes in the available land surface schemes. These differences are comparable to other recognized differences among current global climate models such as cloud and convection parameterizations. It is also clear that too few sensitivity studies have been undertaken with the result that there is not yet enough information to indicate which simplifications or omissions are important for the near-surface continental climate, hydrology, and biogeochemistry. PILPS emphasizes sensitivity studies with and intercomparisons of existing land surface codes and the development of areally extensive datasets for their testing and validation.

Henderson-Sellers, A.↗
DOE OSTI2021

Graphite Oxidation Studies Irradiated Graphite, GIF Summary, ASME Task Force, ASTM Activities

Introduction Comparison of Graphite Oxidation Rates for Irradiated and Unirradiated NBG-25 (Rebecca Smith and Austin Matthews, INL) Annealing effect over range of oxidation temperatures Irradiation effect (~6.5 dpa) over range of oxidation temperatures Dose dependency of irradiation effect Generation IV International Forum High Level Deliverable Summary of DOE ART Historic Oxidation Research (Cristian Contescu, ORNL) Publications issued over the last ~10 years Acute and chronic oxidation ASME Graphite Oxidation Task Force (C. Contescu, Paul Ryan, ORNL, Joe Bass, A. Matthews, R. Smith, INL) Collaborative effort headed by ORNL and engaging INL and others Initial review of relevant oxidation discussion in ASME code ASTM Activities (C. Contescu) Virtual Meetings New and Revised Standards

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Dynamics in a stellar convective layer and at its boundary: Comparison of five 3D hydrodynamics codes

Our ability to predict the structure and evolution of stars is in part limited by complex, 3D hydrodynamic processes such as convective boundary mixing. Hydrodynamic simulations help us understand the dynamics of stellar convection and convective boundaries. However, the codes used to compute such simulations are usually tested on extremely simple problems and the reliability and reproducibility of their predictions for turbulent flows is unclear. We define a test problem involving turbulent convection in a plane-parallel box, which leads to mass entrainment from, and internal-wave generation in, a stably stratified layer. We compare the outputs from the codes FLASH, MUSIC, PPMSTAR, PROMPI, and SLH, which have been widely employed to study hydrodynamic problems in stellar interiors. The convection is dominated by the largest scales that fit into the simulation box. All time-averaged profiles of velocity components, fluctuation amplitudes, and fluxes of enthalpy and kinetic energy are within ≲3σ of the mean of all simulations on a given grid (128 3 and 256 3 grid cells), where σ describes the statistical variation due to the flow’s time dependence. They also agree well with a 512 3 reference run. The 128 3 and 256 3 simulations agree within 9% and 4%, respectively, on the total mass entrained into the convective layer. The entrainment rate appears to be set by the amount of energy that can be converted to work in our setup and details of the small-scale flows in the boundary layer seem to be largely irrelevant. Our results lend credence to hydrodynamic simulations of flows in stellar interiors. We provide in electronic form all outputs of our simulations as well as all information needed to reproduce or extend our study.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Development and validation of fully open-source R2S shutdown dose rate capabilities in OpenMC *

We present the first fully open-source capabilities for shutdown dose rate (SDR) calculations of fusion energy facilities based on the Rigorous 2-Step (R2S) methodology. These capabilities have been implemented in the OpenMC Monte Carlo particle transport code, building on its existing capabilities while also leveraging new features that have been added to the code to support SDR calculations, such as decay photon source generation. Each of the individual physics components in the R2S workflow—neutron transport, activation, decay photon source generation, and photon transport—have been verified through code-to-code comparisons with MCNP6.2 and FISPACT-II 4.0. These comparisons generally demonstrate excellent agreement between codes for each of the physics components. The full cell-based R2S workflow was validated by performing a simulation of the first experimental campaign from the Frascati Neutron Generator (FNG) ITER dose rate benchmark problem from the Shielding INtegral Benchmark Archive and Database (SINBAD). For short cooling times, the dose calculated by OpenMC agrees with the experimental measurements within the stated experimental uncertainties. For longer cooling times, an overprediction of the shutdown dose was observed relative to experiment, which is consistent with previous studies in the literature. Altogether, these features constitute a combination of capabilities in a single, open-source codebase to provide the fusion community with a readily-accessible option for SDR calculations and a platform for rapidly analyzing the performance of fusion technology.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1975

Transonic flow about a thick circular-arc airfoil

An experimental and theoretical study of transonic flow over a thick airfoil, prompted by a need for adequately documented experiments that could provide rigorous verification of viscous flow simulation computer codes, is reported. Special attention is given to the shock-induced separation phenomenon in the turbulent regime. Measurements presented include surface pressures, streamline and flow separation patterns, and shadowgraphs. For a limited range of free-stream Mach numbers the airfoil flow field is found to be unsteady. Dynamic pressure measurements and high-speed shadowgraph movies were taken to investigate this phenomenon. Comparisons of experimentally determined and numerically simulated steady flows using a new viscous-turbulent code are also included. The comparisons show the importance of including an accurate turbulence model. When the shock-boundary layer interaction is weak the turbulence model employed appears adequate, but when the interaction is strong, and extensive regions of separation are present, the model is inadequate and needs further development.

Mcdevitt, J. B.↗