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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 1,387 records · Page 77
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NASA NTRS1994

Design of scaled down structural models

In the aircraft industry, full scale and large component testing is a very necessary, time consuming, and expensive process. It is essential to find ways by which this process can be minimized without loss of reliability. One possible alternative is the use of scaled down models in testing and use of the model test results in order to predict the behavior of the larger system, referred to herein as prototype. This viewgraph presentation provides justifications and motivation for the research study, and it describes the necessary conditions (similarity conditions) for two structural systems to be structurally similar with similar behavioral response. Similarity conditions provide the relationship between a scaled down model and its prototype. Thus, scaled down models can be used to predict the behavior of the prototype by extrapolating their experimental data. Since satisfying all similarity conditions simultaneously is in most cases impractical, distorted models with partial similarity can be employed. Establishment of similarity conditions, based on the direct use of the governing equations, is discussed and their use in the design of models is presented. Examples include the use of models for the analysis of cylindrical bending of orthotropic laminated beam plates, of buckling of symmetric laminated rectangular plates subjected to uniform uniaxial compression and shear, applied individually, and of vibrational response of the same rectangular plates. Extensions and future tasks are also described.

Simitses, George J.↗
DOE OSTI2025

High‐Resolution National‐Scale Water Modeling Is Enhanced by Multiscale Differentiable Physics‐Informed Machine Learning

Abstract The National Water Model (NWM) is a key tool for flood forecasting, planning, and water management. Key challenges facing the NWM include calibration and parameter regionalization when confronted with big data. We present two novel versions of high‐resolution (∼37 km 2 ) differentiable models (a type of hybrid model): one with implicit, unit‐hydrograph‐style routing and another with explicit Muskingum‐Cunge routing in the river network. The former predicts streamflow at basin outlets whereas the latter presents a discretized product that seamlessly covers rivers in the conterminous United States (CONUS). Both versions use neural networks to provide a multiscale parameterization and process‐based equations to provide a structural backbone, which were trained simultaneously (“end‐to‐end”) on 2,807 basins across the CONUS and evaluated on 4,997 basins. Both versions show great potential to elevate future NWM performance for extensively calibrated as well as ungauged sites: the median daily Nash‐Sutcliffe efficiency of all 4,997 basins is improved to around 0.68 from 0.48 of NWM3.0. As they resolve spatial heterogeneity, both versions greatly improved simulations in the western CONUS and also in the Prairie Pothole Region, a long‐standing modeling challenge. The Muskingum‐Cunge version further improved performance for basins >10,000 km 2 . Overall, our results show how neural‐network‐based parameterizations can improve NWM performance for providing operational flood predictions while maintaining interpretability and multivariate outputs. The modeling system supports the Basic Model Interface (BMI), which allows seamless integration with the next‐generation NWM. We also provide a CONUS‐scale hydrologic data set for further evaluation and use.

Song, Yalan [Civil and Environmental Engineering T↗
DOE OSTI2021

Omics-to-Reactive-Transport (ORT): A workflow linking genome-scale metabolic models with reactive transport codes

Motivation: Nutrient and contaminant behavior in the subsurface are governed by multiple coupled hydrobiogeochemical processes which occur across different temporal and spatial scales. Accurate description of macroscopic system behavior requires accounting for the effects of microscopic and especially microbial processes. Microbial processes mediate precipitation and dissolution and change aqueous geochemistry, all of which impacts macroscopic system behavior. As `omics data describing microbial processes is increasingly affordable and available, novel methods for using this data quickly and effectively for improved ecosystem models are needed. Results: We propose a workflow (`Omics to Reactive Transport – ORT) for utilizing metagenomic and environmental data to describe the effect of microbiological processes in macroscopic reactive transport models. This workflow utilizes and couples two open-source software packages: KBase (a software platform for systems biology) and PFLOTRAN (a reactive transport modeling code). We describe the architecture of ORT and demonstrate an implementation using metagenomic and geochemical data from a river system. Our demonstration uses microbiological drivers of nitrification and denitrification to predict nitrogen cycling patterns which agree with those provided with generalized stoichiometries. While our example uses data from a single measurement, our workflow can be applied to spatiotemporal metagenomic datasets to allow for iterative coupling between KBASE and PFLOTRAN. Live, interactive models, which incorporate the results from this narrative into a PFLOTRAN simulation, are available (without login) at https://pflotranmodeling.paf.subsurfaceinsights.com/pflotran-simple-model/.

Rubinstein, Rebecca L↗
DOE OSTI2021

Nuclear Data Sensitivity Study for the EBR-II Fast Reactor Benchmark Using SCALE with ENDF/B-VII.1 and ENDF/B-VIII.0

The EBR-II benchmark, which was recently included in the International Handbook of Evaluated Reactor Physics Benchmark Experiments, served as a basis for assessing the performance of the SCALE code system for fast reactor analyses. A reference SCALE model was developed based on the benchmark specifications. Great agreement was observed between the eigenvalue calculated with this SCALE model and the benchmark eigenvalue. To identify potential gaps and uncertainties of nuclear data for the simulation of various quantities of interest in fast spectrum systems, sensitivity and uncertainty analyses were performed for the eigenvalue, reactivity effects, and the radial power profile of EBR-II using the two most recent ENDF/B nuclear data library releases. While the nominal results are consistent between the calculations with the different libraries, the uncertainties due to nuclear data vary significantly. The major driver of observed uncertainties is the uncertainty of the 235 U ( n,γ ) reaction. Since the uncertainty of this reaction is significantly reduced in the ENDF/B-VIII.0 library compared to ENDF/B-VII.1, the obtained output uncertainties tend to be smaller in ENDF/B-VIII.0 calculations, although the decrease is partially compensated by increased uncertainties in 235 U fission and ν ¯ .

42 ENGINEERING↗
NASA NTRS1976

Analytical modeling of under-the-wing externally blown flap powered-lift noise

The sound field produced by the interaction of a subsonic jet with a large-scale model of the under the wing externally blown flap in an approach attitude was analyzed. The analysis was performed to obtain a better understanding of the dominant noise sources and the mechanisms governing the peak sound pressure level frequencies of the broadband spectra. An analytical expression is derived which incorporates two available theories and experimental data; the expression predicts the sound field along a circular arc of approximately 120 deg measured from the upstream jet axis in the fly-over plane. The analysis compares favorably with test results obtained from two large-scale models, one using cold air from a conical nozzle and the other using hot gas from a TF-34 turbofan engine having a conical exhaust nozzle with a 12 lobe internal forced mixer. The frequency at which the peak sound pressure level occurs appears to be governed by a phenomenon which produces periodic formation and shedding of large-scale turbulence structures from the nozzle lip.

Mckinzie, D. J., Jr.↗
DOE OSTI2024

Data and scripts associated with a manuscript on residence time distribution simulation in two 10-kilometer long river sections

This data package is associated with the publication “On the Transferability of Residence Time Distributions in Two 10-km Long River Sections with Similar Hydromorphic Units” submitted to the Journal of Hydrology (Bao et al. 2024).Quantifying hydrologic exchange fluxes (HEFs) at the stream-groundwater interface, along with their residence time distributions (RTDs) in the subsurface, is crucial for managing water quality and ecosystem health in dynamic river corridors. However, directly simulating high-spatial resolution HEFs and RTDs can be a time-consuming process, particularly for watershed-scale modeling. Efficient surrogate models that link RTDs to hydromorphic units (HUs) may serve as alternatives for simulating RTDs in large-scale models. One common concern with these surrogate models, however, is the transferability of the relationship between the RTDs and HUs from one river corridor to another. To address this, we evaluated the HEFs and the resulting RTD-HU relationships for two 10-kilometer-long river corridors along the Columbia River, using a one-way coupled three-dimensional transient surface-subsurface water transport modeling framework that we previously developed. Applying this framework to the two river corridors with similar HUs allows for quantitative comparisons of HEFs and RTDs using both statistical tests and machine learning classification models. This data package includes the model inputs files and the simulation results data. This data package contains 10 folders. The modeling simulation results data are in the folders 100H_pt_data and 300area_pt_data, for the study domain Hanford 100H and 300 area respectively. The remaining eight folders contain the scripts and data to generate the manuscript figures. The file-level metadata file (Bao_2024_Residence_Time_Distribution _flmd.csv) includes a list of all files contained in this data package and descriptions for each. The data dictionary file (Bao_2024_Residence_Time_Distribution _dd.csv) includes column header definitions and units of all tabular files.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Hierarchical calibration and validation for modeling bench-scale solvent-based carbon capture. Part 1: Non-reactive physical mass transfer across the wetted wall column

A hierarchical model calibration and validation are proposed here for quantifying the confidence level of mass transfer prediction using a computational fluid dynamics (CFD) model, where the solvent-based carbon dioxide (CO 2 ) capture is simulated and the predicted results are compared to the corresponding bench-scale experimental data. Two unit problems with an increasing level of complexity are proposed to break down the complex physical/chemical processes of solvent-based CO 2 capture into relatively simpler problems to separate the effects of physical transport and chemical reaction. This paper focuses on the calibration and validation of the first unit problem, i.e., the CO 2 mass transfer across a falling ethanolamine (MEA) film in the absence of chemical reaction. This problem is investigated both experimentally and numerically using non-reactive nitrous oxide (N 2 O) as a surrogate for CO 2 . To capture motion of the gas-liquid interface, a volume of fluid method is employed with a one-fluid formulation to compute the mass transfer between the two phases. Parallel bench-scale experiments are designed and conducted to validate and calibrate the CFD models using a general Bayesian calibration approach. Two important transport parameters, Henry's constant and gas diffusivity, are calibrated to produce the posterior distributions, which will be used as input for the second unit problem to address the chemical absorption of CO 2 across the MEA falling film, where both mass transfer and chemical reaction are involved. Finally, mass transfer coefficients predicted by CFD are also compared with those predicted by the traditional/empirical correlations under both steady and wavy falling film conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Representation of atmosphere-induced heterogeneity in land–atmosphere interactions in E3SM–MMFv2

In the Energy Exascale Earth System Model (E3SM) Multi-scale Modeling Framework (MMF), where parameterizations of convection and turbulence are replaced by a 2-D cloud-resolving model (CRM), there are multiple options to represent land–atmosphere interactions. Here, we propose three different coupling strategies, namely the (1) coupling of a single land surface model to the global grid (MMF), (2) coupling a single land copy directly to the embedded CRM (SFLX2CRM), and (3) coupling a single copy of land model to each column of the CRM grid (MAML). In the MAML (Multi-Atmosphere Multi-Land) framework, a land model is coupled to CRM at the CRM-grid scale by coupling an individual copy of a land model to each CRM grid. Therefore, we can represent intra-CRM heterogeneity in the land–atmosphere interaction processes. There are 5-year global simulations run using these three coupling strategies, and we find some regional differences but overall small changes with respect to whether a land model is coupled to CRM or a global atmosphere. In MAML, the spatial heterogeneity within CRM induces stronger turbulence, which leads to the changes in soil moisture, surface heat fluxes, and precipitation. However, the differences in the MAML from the other two cases are rather weak, suggesting that the impact of using MAML does not justify the increase in cost.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

SCALE Non-LWR Models for NRC Volume 3

This dataset contains input and result files of computational simulations with the SCALE code system. The simulations cover radionuclide inventory and reactivity analyses of various advanced reactors. Users wanting to reproduce results from this dataset are required to obtain a license to the SCALE code system for which details on the distribution can be found here: https://www.ornl.gov/scale/releases

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

SCALE Non-LWR Models for NRC Volume 5

This dataset contains input and result files of computational simulations with the SCALE code system. The simulations cover radionuclide inventory generation, criticality calculations, and dose rate/shielding analyses of various advanced reactors. Users wanting to reproduce results from this dataset are required to obtain a license to the SCALE code system for which details on the distribution can be found here: https://www.ornl.gov/scale/releases

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1975

Heat-transfer tests on the Rockwell International space shuttle orbiter with and without simulated protuberances

Aerothermodynamic tests on the forward half of the Rockwell International Space Shuttle Orbiter Configuration 140C were conducted at Mach number 8. The phase-change paint and thin-skin thermocouple techniques were used to determine the aerodynamic heating rates on the Orbiter models during simulated atmospheric reentry. Smooth 0.04-scale models and models with scaled protuberances and indentations which simulated the windshields, cargo bay door hinges, vents, and thruster nozzles were tested over an angle-of-attack range from 20 to 45 deg at yaw angles from -5 to 5 deg and at Reynolds numbers, based on the total Orbiter scaled length, from 2.15 to 15.9 million. Comparisons of the model heat-transfer rates obtained with a smooth surface and with scaled protuberances are presented.

Carter, L. D.↗
NASA NTRS1986

COFS 3: Multibody dynamics and control technology

COFS 3 is the third project within the Control of Flexible Structures (COFS) program. It deals with developing multibody dynamics and control technology for large space structures. It differs from COFS 1 and 2 in two respects. First, it addresses a more complex class of structure, and second it is basically a scale model ground test and analysis program while COFS 1 and 2 feature Shuttle flight experiments. The specific technology thrusts within COFS 3 are model sensitivities, test methods, analysis validation, systems identification, and vibration suppression. The COFS 3 project will develop the methods for using dynamically scaled models and analysis to predict the structural dynamics of large space structures. The project uses the space station as a focus because it is typical of the structures of interest and provides the first opportunity to obtain full-scale on-orbit dynamics data.

Letchworth, Robert↗
DOE OSTI2025

Macro-micro multiscale modeling to assist the design of HPDC Al castings microstructure and alloys for EV super-large body structures (Phase 1)

Implementation of High Pressure Die Casting (HPDC) Aluminum (Al) body structures for high volume electrified vehicles (EV) to improve electric efficiency remains a key strategy within many original equipment manufacturer (OEM)s. In addition to high strength for safety requirements, superior Self-Piercing Riveting (SPR) performance is demanded for HPDC Al alloys to be compatible with high volume SPR joining. In this work, it is proposed to extend and validate an existing Contractor finite element multiscale macro-micro modeling approach to quantify the influence of the microstructure of HPDC alloys on the fracture strain/displacement under 3-point bend and clinch testing. The success of this work will allow to replace solution treatment stage with low energy consumption heat treatment (HT) processes, or to design new non heat treatable (NHT) HPDC Al alloys to eliminate HT requirements. Ultimately, this project will facilitate the application of HPDC Al alloys for super-large vehicle structures to significantly reduce vehicle weight, and thus improving energy efficiency. The purpose of this project is to extend and validate an existing finite element code, which is based on the Contractor developed macro-micro multi-scale modeling approach, to numerically simulate the three-point bending and clinch test and study the influences of material microstructural characteristics and phase properties on the rivetability. The macro-micro modeling approach begins with a sample scale model and identify the location, which is mostly prone to failure, the deformation history of the boundaries of that location calculated will be used to drive a microstructure-based sub-models where the material microstructure and microscale properties are considered. Using this approach, the wrap-bending failure for two Al alloys are correctly predicted for the first time. This will start with phase I effort of building a framework of macro-micro three point bending test and clinch test of Al10SiMgMn HPDC alloy in the as-cast and T7 heat treated conditions. Those results will then be validated with experimental test results. The phase II effort will involve the utilization of the knowledge learned in phase I to establish the quantitative correlation between the microstructure characteristics and the riveting performance, which will be further used to guide the optimization of HPDC Al alloy microstructure using heat treatment process to achieve sufficient rivetability to join large thin-wall HPDC alloys.

36 MATERIALS SCIENCE↗
NASA NTRS1993

The roughness of the Martian surface: A scale dependent model

In the coming decade, several lander missions to Mars are planned (e.g., MESUR Pathfinder, MESUR). One of the dangers facing planners of these missions is the rough topography observed at both Viking Lander sites. Both landing sites are ubiquitously covered with meter-scale boulders. Objects of this size pose obvious threats to soft landers, especially at Mars where the distance from Earth causes prohibitive time lags between the transmission of commands and feedback from the spacecraft. An obvious solution is to scout for a 'smooth' site prior to the landing. However, the best resolutions realizable on current and future missions (i.e., Mars Observer) are on the order of several meters. Even at this scale, boulders of 1-2 meters in size are unresolvable. Additionally, the amount of time and spacecraft resources required to search even a small area of the planet are unrealistic given other mission objectives. An alternative is to determine the 'roughness' of the surface at a subpixel scale using bidirectional reflectance observations. Much larger areas of the planet can be searched, and much of the search can easily be automated. The morphology of the martian plains observed by the Viking Landers is physically simple. The surface is covered with a layer (approximately flat lying) of aeolian sediment from which numerous outcrops of bedrock and boulders protrude. This morphology, while simple, will be difficult to characterize from orbit using traditional bidirectional reflectance models for two reasons. First, modeling the surface as facets with Gaussian or exponential slope distributions is not realistic given the morphology described above. Second, the roughness parameter is an 'average' of the roughness at scales ranging from the wavelength of light being scattered to the pixel size of the observation. Thus, there is no definite scale of roughness that can be extracted from the Hapke roughness parameter. Using the concepts of geometric and boolean models developed by several workers, we have developed a model for the bidirectional reflectance of a surface morphology comparable to that observed at the Viking Lander sites.

Shepard, M. K.↗
NASA NTRS1991

Comet P/Halley - Spatial distributions and scale lengths for C2, CN, NH2, and H2O

Long-slit spectroscopic observations of Comet P/Halley on 12 dates between October 1985 and May 1986 were used to extract spatial profiles for C2, CN, NH2, and O I (1D) (which effectively map out the comet's H2O distribution), and Haser model scale lengths were fitted to these data. The preperihelion analysis yielded Haser model scale lengths of sufficient consistency that they could be used for the production rate determinations. It was found that the average parent scale lengths found for NH2 were consistent with photodissociation lifetimes for NH3 and confirm the dissociation chain NH3-NH2-NH.

Fink, Uwe↗
DOE OSTI2023

Constraining accuracy of the pairwise velocities in N -body simulations using scale-free models

We present a continuation of an analysis that aims to quantify resolution of N-body simulations by exploiting large (up to N = 4096 3 ) simulations of scale-free cosmologies run using abacus. Here, we focus on radial pairwise velocities of the matter field, both by direct estimation and through the cumulative two-point correlation function (using the pair conservation equation). We find that convergence at the 1 per cent level of the mean relative pairwise velocity can be demonstrated over a range of scales, evolving from a few times the grid spacing at early times to slightly below this scale at late times. We show the analysis of two different box sizes as well as from averaging results from the smaller boxes, and compare the power of the two aforementioned estimators in constraining accuracy at each scale. Down to scales of the order of the smoothing parameter, convergence is obtained at ∼5 per cent precision, and shows a behaviour indicating asymptotic stable clustering. In conclusion, we also infer for LCDM simulations conservative estimates on the evolution of the lower cut-off to resolution (at 1 and 5 per cent precision) as a function of redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Partitioning Models for Scaling Parallel Sparse Matrix-Matrix Multiplication

We investigate outer-product--parallel, inner-product--parallel, and row-by-row-product--parallel formulations of sparse matrix-matrix multiplication (SpGEMM) on distributed memory architectures. For each of these three formulations, we propose a hypergraph model and a bipartite graph model for distributing SpGEMM computations based on one-dimensional (1D) partitioning of input matrices. Here, we also propose a communication hypergraph model for each formulation for distributing communication operations. The computational graph and hypergraph models adopted in the first phase aim at minimizing the total message volume and balancing the computational loads of processors, whereas the communication hypergraph models adopted in the second phase aim at minimizing the total message count and balancing the message volume loads of processors. That is, the computational partitioning models reduce the bandwidth cost and the communication hypergraph models reduce the latency cost. Our extensive parallel experiments on up to 2048 processors for a wide range of realistic SpGEMM instances show that although the outer-product--parallel formulation scales better, the row-by-row-product--parallel formulation is more viable due to its significantly lower partitioning overhead and competitive scalability. For computational partitioning models, our experimental findings indicate that the proposed bipartite graph models are attractive alternatives to their hypergraph counterparts because of their lower partitioning overhead. Finally, we show that by reducing the latency cost besides the bandwidth cost through using the communication hypergraph models, the parallel SpGEMM time can be further improved up to 32%.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Enhancing Lithium-Ion Battery Aging Simulations: Coupling a High-Resolution, 3D, Grain-Scale Electromechanical Model to a Single-Particle Model

One of the main goals in modeling lithium-ion batteries is to improve/predict longevity and resilience of new chemistries. Unfortunately, this requires simulation of thousands of charge/discharge cycles, which can be rather time consuming depending on the fidelity of the simulation. The purpose of this talk is to discuss a new modeling framework that couples a high-resolution, continuous damage model (CDM) to a single particle model (SPM) resulting in a good combination of speed and fidelity. In previous work, a 3D, continuum-level chemo-mechanical model was developed to investigate cracking within a single cathode particle comprised of hundreds to thousands of randomly oriented grains. The CDM predicted that particle fracture is primarily due to non-ideal grain interactions with slight dependence on high-rate charge demands. Essentially, when neighboring grains were misaligned, they expanded different rates relative to one another leading to high stresses and ultimately the formation of intraparticle cracks. The model predicted that small particles with large grains develop significantly less damage than larger particles with small grains. Finally, the model predicted most of the chemo-mechanical damage accumulates in the first charge after formation. This chemo-mechanical "damage saturation" effect indicated that initial particle fracture occurs within the first few cycles, while long-term cathode degradation is not solely chemo-mechanically induced. This led to a need for simulating fatigue-like mechanism that degrade the battery over longer time scales. In order to reach the time scales, need to resolve fatigue-like degradation, the CDM needs to be complemented by a faster model. Therefore, recent efforts have been focused on using results from the CDM to inform parameters within the SPM. These parameters are homogenization factors that are associated with diffusion, particle radius, and/or exchange current density. By coupling the CDM to the SPM, the aging simulation is broken up into two domains: short-term and long-term degradation. The short-term degradation occurs over a single cycle and is handled by the CDM due of its high fidelity, but relatively expensive computational cost. Such mechanism include break-in crack caused by mismatches in grain orientation. The long-term degradation occurs over tens of cycles and is handled by the SPM due it's computational efficiency. Most of the fatigue-like mechanism fall into this category. The eventual goal of this modeling framework is to upscale to a psudo-2D model allowing for full electrode simulation, which are informed by high-fidelity grain-scale simulations.

electrochemistry↗