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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Flexible language constructs for large parallel programs

The goal of the research described is to develop flexible language constructs for writing large data parallel numerical programs for distributed memory (MIMD) multiprocessors. Previously, several models have been developed to support synchronization and communication. Models for global synchronization include SIMD (Single Instruction Multiple Data), SPMD (Single Program Multiple Data), and sequential programs annotated with data distribution statements. The two primary models for communication include implicit communication based on shared memory and explicit communication based on messages. None of these models by themselves seem sufficient to permit the natural and efficient expression of the variety of algorithms that occur in large scientific computations. An overview of a new language that combines many of these programming models in a clean manner is given. This is done in a modular fashion such that different models can be combined to support large programs. Within a module, the selection of a model depends on the algorithm and its efficiency requirements. An overview of the language and discussion of some of the critical implementation details is given.

Rosing, Matthew↗
DOE OSTI2021

PARIS: Predicting application resilience using machine learning

The traditional method to study application resilience to errors in HPC applications uses fault injection (FI), a time-consuming approach. Furthermore, while analytical models have been built to overcome the inefficiencies of FI, they lack accuracy. In this paper, we present PARIS, a machine-learning method to predict application resilience that avoids the time-consuming process of random FI and provides higher prediction accuracy than analytical models. PARIS captures the implicit relationship between application characteristics and application resilience, which is difficult to capture using most analytical models. We overcome many technical challenges for feature construction, extraction, and selection to use machine learning in our prediction approach. Our evaluation on 16 HPC benchmarks shows that PARIS achieves high prediction accuracy. PARIS is up to 450x faster than random FI (49x on average). Compared to the state-of-the-art analytical model, PARIS is at least 63% better in terms of accuracy and has comparable execution time on average.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1984

Implicit Numerical Methods in Meteorology

The development of a fully implicit finite-difference model, whose time step is chosen solely to resolve accurately the physical flow of interest is discussed. The method is based on an operator factorization which reduces the dimensionality of the implicit approach: at each time step only (spatially) one-dimensional block-tridiagonal linear systems must be solved. The scheme uses two time levels and is second-order accurate in time. Compact implicit spatial differences are used, yielding fourth-order accuracy both vertically and horizontally. In addition, the development of a fully interactive computer code is discussed. With this code the user will have a choice of models, with various levels of accuracy and sophistication, which are imbedded, as subsets of the fully implicit 3D code.

Augenbaum, J.↗
DOE OSTI2020

Early retirement of power plants in climate mitigation scenarios

International efforts to avoid dangerous climate change aim for large and rapid reductions of fossil fuel CO 2 emissions worldwide, including nearly complete decarbonization of the electric power sector. However, achieving such rapid reductions may depend on early retirement of coal- and natural gas-fired power plants. Here, we analyze future fossil fuel electricity demand in 171 energy-emissions scenarios from Integrated Assessment Models (IAMs), evaluating the implicit retirements and/or reduced operation of generating infrastructure. Although IAMs calculate retirements endogenously, the structure and methods of each model differ; we use a standard approach to infer retirements in outputs from all six major IAMs and—unlike the IAMs themselves—we begin with the age distribution and region-specific operating capacities of the existing power fleet. We find that coal-fired power plants in scenarios consistent with international climate targets (i.e. keeping global warming well-below 2 °C or 1.5 °C) retire one to three decades earlier than historically has been the case. If plants are built to meet projected fossil electricity demand and instead allowed to operate at the level and over the lifetimes they have historically, the roughly 200 Gt CO 2 of additional emissions this century would be incompatible with keeping global warming well-below 2 °C. Thus, ambitious climate mitigation scenarios entail drastic, and perhaps un-appreciated, changes in the operating and/or retirement schedules of power infrastructure.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1998

Sensitivity of Cirrus Simulations in Idealized Situations: The WG2 Test Cases

GCSS Cirrus Cloud Systems Working Group (WG2) is presently conducting a comparison of cirrus cloud models for idealized initial conditions. The experiments involve binary (off/on) tests of model sensitivity to infrared radiative processes, and thermal stratification, and vertical wind shear for situations of weakly forced (3 cm/s uplift) cold (-60 to -70 C) and warm (-35 to -50 C) cirrus clouds. A range of model types are involved including parcel, SCM, 2-D CRM, 3-D CRM and LES models. The test cases will be described and results from 2-dimensional cirrus cloud models with bulk microphysics (implicit second moment scheme) and explicit bin microphysics will be compared. Vertical ice mass flux (particle fall speed) is a critical model component leading to significant intermodel differences. Efforts are ongoing to better quantify this aspect. Future plans of WG2 will also be briefly described and include model comparisons for a well-observed case of cold (ARM IOP) cirrus and of warm (EUCREX) cirrus, as well as, a joint activity with WG4 to consider the treatment of anvil cirrus in a variety of models.

Starr, David OC.↗
NASA NTRS1991

A practical implementation of turbulence models for the computation of three-dimensional separated flows

An upwind MUSCL-type implicit scheme for the three-dimensional Navier-Stokes equations is presented and details on the implementation for three-dimensional flows of a 'diagonal' upwind implicit operator are developed. Turbulence models for separated flows are also described with an emphasis on the numerical specificities of the Johnson-King nonequilibrium model. Good predictions of separated two- and three-dimensional flows are demonstrated.

Marx, Yves P.↗
NASA NTRS1991

Fatigue life prediction of an intermetallic matrix composite at elevated temperatures

A strain-based fatigue life prediction method is proposed for an intermetallic matrix composite (IMC) under tensile cyclic loadings at elevated temperatures. Styled after the Universal Slopes method, the model utilizes the composite's tensile properties to estimate fatigue life. Factors such as fiber volume ratio, number of plys and temperature dependence are implicitly incorporated into the model through these properties. The model constants are determined by using unidirectional fatigue data at temperatures of 425 and 815 C. Fatigue lives from two independent sources are used to verify the model at temperatures of 650 and 760 C. Cross-ply lives at 760 C are also predicted. It is demonstrated that the correlation between experimental and predicted lives is within a factor of two.

Bartolotta, Paul A.↗
DOE OSTI2021

Ecological stoichiometry as a foundation for omics-enabled biogeochemical models of soil organic matter decomposition

Coupled biogeochemical cycles drive ecosystem ecology by influencing individual-to-community scale behaviors; yet the development of process-based models that accurately capture these dynamics remains elusive. Soil organic matter (SOM) decomposition in particular is influenced by resource stoichiometry that dictates microbial nutrient acquisition (‘ecological stoichiometry’). Despite its basis in biogeochemical modeling, ecological stoichiometry is only implicitly considered in high-resolution microbial investigations and the metabolic models they inform. State-of-science SOM decomposition models in both fields have advanced largely separately, but they agree on a need to move beyond seminal pool-based models. This presents an opportunity and a challenge to maximize the strengths of various models across different scales and environmental contexts. To address this challenge, we contend that ecological stoichiometry provides a framework for merging biogeochemical and microbiological models, as both explicitly consider substrate chemistries that are the basis of ecological stoichiometry as applied to SOM decomposition. We highlight two gaps that limit our understanding of SOM decomposition: (1) understanding how individual microorganisms alter metabolic strategies in response to substrate stoichiometry and (2) translating this knowledge to the scale of biogeochemical models. We suggest iterative information exchange to refine the objectives of high-resolution investigations and to specify limited dynamics for representation in large-scale models, resulting in a new class of omics-enabled biogeochemical models. Assimilating theoretical and modelling frameworks from different scientific domains is the next frontier in SOM decomposition modelling; advancing technologies in the context of stoichiometric theory provides a consistent framework for interpreting molecular data, and further distilling this information into tractable SOM decomposition models.

Carbon cycling↗
DOE OSTI2020

Experimental verification of a crystal plasticity-based simulation framework for predicting microstructure and geometric shape changes: Application to bending and Taylor impact testing of Zr

This paper is concerned with experimental verification of a recently developed multi-scale simulation framework for plastic deformation of metallic materials from quasi-static to impact deformation conditions. The framework is a visco-plastic self-consistent (VPSC) polycrystalline model embedded in an implicit finite element method (FE-VPSC) to provide a microstructure-sensitive constitutive response at each material point. Each material point of the FEM model is a polycrystalline aggregate with crystallographic deformation mechanisms operating at the single crystal scale with their evolving activity based on a dislocation density-based hardening law and texture. Four beams and three cylinders machined in different orientations from a textured plate of high-purity zirconium are tested quasi-statically in 4-point bending and at speeds of 100 m/s, 170 m/s and 243 m/s during Taylor impact tests, respectively. The variation in dimensional changes resulting from different sample orientations in the plate with respect to loading directions is measured for each sample. Moreover, texture and twinning characterization is performed using electron backscattered diffraction (EBSD). The deformation processes and underlying evolution of microstructure are successfully simulated using the FE-VPSC framework. In doing so, the model parameters are optimized and validated across a broad range of strain rates and temperatures. Simulation results in terms of geometrical changes and microstructural evolution are compared with the experimental measurements. The model predicts anisotropic material flow resulting from the hard-to-deform crystallographic directions, the development of gradients in texture and twinning through the geometries, tension–compression asymmetry, as well as the extent of plasticity under impact.

42 ENGINEERING↗
NASA NTRS1991

Fatigue life prediction of an intermetallic matrix composite at elevated temperatures

A strain-based fatigue life prediction method is proposed for an intermetallic matrix composite (IMC) under tensile cyclic loadings at elevated temperatures. Styled after the 'Universal Slopes' method, the model utilizes the composite's tensile properties to estimate fatigue life. Factors such as fiber volume ratio (Vf), number of plys and temperature dependence are implicitly incorporated into the model through these properties. The model constants are determined by using unidirectional fatigue data at temperatures of 425 and 815 C. Fatigue lives from two independent sources are used to verify the model at temperatures of 650 and 760 C. Cross-ply lives at 760 C are also predicted. It is demonstrated that the correlation between experimental and predicted lives is within a factor of two.

Bartolotta, P. A.↗
NASA NTRS2014

Development Of FIAT-Based Parametric Thermal Protection System Mass Estimating Relationships For NASA's Multi-Mission Earth Entry Concept

An integrated tool called the Multi Mission System Analysis for Planetary Entry Descent and Landing (M-SAPE) is being developed as part of NASAs In-Space Propulsion Technology (ISPT) program. Part of M-SAPEs development requires the formulation of mass estimating relationships (MERs) to determine the vehicle's Thermal Protection System (TPS) material and required thickness for safe Earth entry. The objective of this study was to develop MERs using simple correlations that were non-ITAR and matched as accurately as possible NASAs high-fidelity ablation modeling tool, the Fully Implicit Ablation and Thermal Analysis Program (FIAT ). These MERs would be a first-estimate for feasibility studies; it is understood that higher-fidelity modeling like FIAT would be necessary once a proposed trajectory was down-selected. The trajectory space for these MERS consisted of 840 different trajectories, and a materials heating limit was the main constraint for an allowable trajectory. MERs for the vehicle fore body included the ablating materials Phenolic Impregnated Carbon Ablator (PICA ) and Carbon Phenolic atop Advanced Carbon-Carbon. For the backshell the materials were Silicone Impregnated Reusable Ceramic Ablator (SIRCA ), Acusil II, SLA-561V, and LI-900. The MERFIAT ratio indicates MERs are accurate to within 14 percent (at one standard deviation) of FIAT prediction, and the most any MER can under-predict TPS thickness is 18.7 percent of FIAT prediction. This poster focuses on the development of these MERs, the resulting equations, model limitations, and model accuracy.

thermal protection system↗
NASA NTRS1998

The Stratigraphy and Evolution of the Lunar Crust

Reconstruction of stratigraphic relationships in the ancient lunar crust has proved to be a formidable task. The intense bombardment during the first 700 m.y. of lunar history has severely perturbed the original stratigraphy and destroyed the primary textures of all but a few nonmare rocks. However, a knowledge of the crustal stratigraphy as it existed prior to the cataclysmic bombardment about 3.9 Ga is essential to test the major models proposed for crustal origin, i.e., crystal fractionation in a global magmasphere or serial magmatism in a large number of smaller bodies. Despite the large difference in scale implicit in these two models, both require an efficient separation of plagioclase and mafic minerals to form the anorthositic crust and the mafic mantle. Despite the havoc wreaked by the large body impactors, these same impact processes have brought to the lunar surface crystalline samples derived from at least the upper half of the lunar crust, thereby providing an opportunity to reconstruct the stratigraphy in areas sampled by the Apollo missions. As noted, ejecta from the large multiring basins are dominantly, or even exclusively, of crustal origin. Given the most recent determinations of crustal thicknesses, this implies an upper limit to the depth of excavation of about 60 km. Of all the lunar samples studied, a small set has been recognized as "pristine", and within this pristine group, a small fraction have retained some vestiges of primary features formed during the earliest stages of crystallization or recrystallization prior to 4.0 Ga. We have examined a number of these samples that have retained some record of primary crystallization to deduce thermal histories from an analysis of structural, textural, and compositional features in minerals from these samples. Specifically, by quantitative modeling of (1) the growth rate and development of compositional profiles of exsolution lamellae in pyroxenes and (2) the rate of Fe-Mg ordering in orthopyroxenes, we can constrain the cooling rates of appropriate lunar samples. These cooling rates are used to compute depths of burial at the time of crystallization, which enable us to reconstruct parts of the crustal stratigraphy as it existed during the earliest stages of lunar history.

McCallum, I. Stewart↗
DOE OSTI2025

Mechanistic Insights into the Demethylation of Lignin‐Derived Structures Using Protic Ionic Liquids: A Density Functional Theory Study

Lignin valorization is restricted by the stability of its methoxy groups, creating a critical need for efficient demethylation strategies. Here, in this study, density functional theory (DFT) is employed to dissect the mechanistic pathways of demethylation in lignin model compounds, guaiacol and syringol, using protic ionic liquids (PILs) that act as both solvent and catalyst. Conductor‐like Screening Model for Real Solvents (COSMO‐RS) analysis identifies monoethanolammonium acetate ([MEOA][Ace]) as the most promising medium, attributed to its strong hydrogen bonding network and solvation ability. By integrating implicit and explicit solvation models, it is revealed that an acid‐catalyzed hydrolytic mechanism governs demethylation, with PILs stabilizing crucial transition states and intermediates. Complementary electronic structure evaluations, including highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO‐LUMO) gap analysis, charge distribution, and electrostatic potential mapping, demonstrate how PILs lower energetic barriers and enhance reactivity. To simulate realistic environments, this study is extended to lignin dimer complexes with varying water content, uncovering how water‐bridged solvation reverses demethylation preference from guaiacyl to syringyl units. This mechanistic shift aligns with experimental observations showing faster S‐unit reactivity in hydrated systems. Together, these findings provide atomic‐level insight into lignin demethylation dynamics and highlight how tuning acid concentration in PILs can accelerate kinetics, enabling a rational pathway toward next‐generation biomass conversion technologies.

COSMO-RS↗
DOE OSTI2026

SAVY-4000 Finite-Element Drop Test Analysis

PFE Auxiliary Systems conducted drop testing on SAVY-4000 containers to evaluate structural response under 12-foot drop conditions. In support of that effort, a finite-element modeling capability was developed to simulate drop response across multiple container sizes and impact orientations. The purpose of this work was to provide a consistent analysis framework that could support interpretation of testing, compare response trends across multiple configurations, and generate quantities of interest for later comparison with experimental data. More broadly, the analysis and testing were intended to assess whether the containers continued to perform their primary function after a 12-foot drop, namely maintaining structural integrity and containment of the contents. The modeling approach combined an implicit preload analysis with an explicit drop simulation so that each drop event began from a mechanically realistic assembled condition, including compression of the silicone O-ring. Separate models were developed for 2-quart, 5-quart, 12-quart, and 10-gallon containers. The results were evaluated in terms of strain-gauge response, collar-lid gap behavior, and accumulated plastic strain. In addition, parametric studies were performed on the 2-quart container to assess sensitivity to O-ring stiffness, friction, canister thickness, geometry tolerance, and mesh density. The simulations showed that predicted drop responses depended strongly on both container size and drop orientation. Gap metrics identified cases in which the predicted collar-lid opening exceeded the nominal O-ring cross-section threshold, while plastic strain metrics identified localized regions of elevated permanent deformation. Parametric studies showed that the predicted response was especially sensitive to the assumed O-ring stiffness and contact friction, while the geometry tolerance study produced smaller changes in the cases examined. The main value of this work was that it established a repeatable modeling and simulation workflow to support drop-test implementation, evaluate effects of future configuration changes, and understand modeling assumptions that most influenced predicted response. At the current stage, the results were viewed as preliminary model predictions rather than validated predictions. The next step would be to compare drop-test data to the model so that predictive values of the workflow could be refined and used with greater confidence to assess whether the containers maintained structural integrity and containment of the contents after a 12-foot drop.

42 ENGINEERING↗
DOE OSTI2022

Race conditions and data partitioning: risks posed by common errors to reproducible parallel simulations

When parallel algorithms for simulation were introduced in the 1970s, their development and use interested only experts in parallel computation. This circumstance changed as multi-core processors became commonplace, putting a parallel computer into the hands of every modeler. A natural outcome is growing interest in parallel simulation among persons not intimately familiar with parallel computing. At the same time, parallel simulation tools continue to be developed with the implicit assumption that the modeler is knowledgeable about parallel programming. The unintended consequence is a rapidly growing number of users of parallel simulation tools that are unlikely to recognize when the interaction of race conditions, partitioning strategies, and simultaneous action in their simulation models make results non-reproducible, thereby calling into question the validity of conclusions drawn from the simulation data. Here, we illustrate the potential dangers of exposing parallel algorithms to users who are not experts in parallel computation with example models constructed using existing parallel simulation tools. By doing so, we hope to refocus tool developers on usability, even if this new focus incurs loss of some performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Development of an implicit electromagnetic capability for a hybrid gyrokinetic ion-fluid electron model

Here we report on the development and implementation of a hybrid kinetic ion–fluid electron model for electromagnetic COGENT simulations of edge plasmas. COGENT is a finite-volume gyrokinetic code that employs a locally field-aligned coordinate system combined with a mapped multi-block grid technology to handle strongly anisotropic edge plasma turbulence. The simulation model involves the long-wavelength limit of the ion gyrokinetic equation coupled to the vorticity and Ohm's law equations for the electromagnetic field perturbations. In order to handle the fast Alfvén wave time scales, an implicit-explicit time integration approach with a physics-based preconditioner is used. The model is successfully applied to the simulations of ion-scale resistive-drift ballooning turbulence in a toroidal annulus geometry. Substantial speed-up over a fully explicit time integration approach is observed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2022

The Simulation and Subseasonal Forecasting of Hydrological Variables: Insights from a Simple Water Balance Model

Past work has shown that a land surface model’s (LSM’s) implicit (not explicitly coded) relationships between soil moisture and both evapotranspiration (ET) and runoff largely determine the LSM’s hydrological behavior. Here we estimate the relationships that appear to be operating in the real world and compare them to those of the LSM component of a state-of-the-art Earth system model (ESM). The two sets of relationships are determined by calibrating them within a simple water balance model (WBM): once using stream gauge observations from small, unregulated rivers over the eastern half of the U.S., and once using the runoffs generated by the LSM as part of a state-of-the-art atmospheric reanalysis. Hydrological simulations and subseasonal hydrological forecasts performed with the two calibrated versions of the WBM provide two key results. First, the version calibrated to the LSM-generated runoffs does successfully reproduce, to first order, the hydrological behavior of the full LSM within its ESM environment. Second, of the two WBM versions, the one calibrated to the observations reproduces more accurately a broad collection of fully independent streamflow observations as well as a similarly broad collection of in-situ soil moisture measurements. Taken together, the two results suggest that the observations-calibrated ET and runoff efficiency functions do successfully represent, at least to some degree, soil moisture controls over hydrological variability in Nature and can serve as potentially useful targets for further LSM development.

Water Balance Model↗
NASA NTRS1979

In-flight simulation with pilot-center of gravity offset and velocity mismatch

Similarity transformations which preserve modal characteristics and pilot's acceleration cues in in-flight simulation are presented. The model transformation for lateral acceleration matching is developed. A velocity-mismatch example, based on a VRA simulation of the Space Shuttle, illustrates that acceleration matching is achieved at the expense of mismatching in cues which are secondary to the simulated piloting task, while primarily cues are preserved. The approach is applicable for both implicit and explicit model-following, and it can easily be extended to the longitudinal case.

Stengel, R. F.↗