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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Method for optimizing resource allocation in a government organization

The managers in Federal agencies are challenged to control the extensive activities in government and still provide high-quality products and services to the American taxpayers. Considering today's complex social and economic environment and the $3.8 billion daily cost of operating the Federal Government, it is evident that there is a need to develop decision-making tools for accurate resource allocation and total quality management. The goal of this thesis is to provide a methodical process that will aid managers in Federal Government to make budgetary decisions based on the cost of services, the agency's objectives, and the customers' perception of the agency's product. A general resource allocation procedure was developed in this study that can be applied to any government organization. A government organization, hereafter the 'organization,' is assumed to be a multidivision enterprise. This procedure was applied to a small organization for the proof of the concept. This organization is the Technical Services Directorate (TSD) at the NASA Lewis Research Center in Cleveland, Ohio. As part of the procedure, a nonlinear programming model was developed to account for the resources of the organization, the outputs produced by the organization, the decision-maker's views, and the customers' satisfaction with the organization. The information on the resources of the organization was acquired from current budget levels of the organization and the human resources assigned to the divisions. The outputs of the organization were defined and measured by identifying metrics that assess the outputs, the most challenging task in this study. The decision-maker's views are represented in the model as weights assigned to the various outputs and were quantified by using the analytic hierarchy process. The customer's opinions regarding the outputs of the organization were collected through questionnaires that were designed for each division individually. Following the philosophy of total quality management, information on customers' satisfaction is presented in the model as the quality of output. The model is a nonlinear one whose objective is to maximize customers' satisfaction such that the total cost of operation does not exceed the organization's budget. This model represents a structured approach or policy mechanism, at the agency level, to make capital investment decisions based on the priorities of the agency and the quality of outputs. This procedure applied to TSD resulted in a resources allocation scheme that was reasonable and acceptable to the decision-makers and, as expected, dependent on the assumptions and accuracy of the data used in the model.

Afarin, James↗
NASA NTRS2012

Preliminary Modeling of CH3D From 4000 to 4550 cm (exp-1)

A new study of 12CH3D line positions and intensities was performed for the upper portion of the Enneadecad polyad between 4000 and 4550/cm. For this, FTIR spectra were recorded with D-enriched methane samples (at 80 K with a Bruker 125 IFS at 0.005/cm resolution and at 291 K with the McMath-Pierce FTS at 0.011/cm resolution, respectively). Line positions and intensities were retrieved by least square curve-fitting procedures and analyzed using the effective Hamiltonian and the effective dipole moment expressed in terms of irreducible tensor operators adapted to symmetric top molecules. Initially, only the cold spectrum was used to identify quantum assignments and predict 12CH3D relative intensities in this region. To assign higher quanta up to J equal 14, additional line positions and intensities were obtained from two room temperature spectra. In the final stage, measured intensities from both the cold and the room temperature data were normalized to corresponding values at 296 K and then averaged. Combining the two temperature datasets confirmed the assumed quantum assignments and also demonstrated the relative accuracies to be better than 70.0002/cm for line positions and at least +/-6% for intensities so that approx.1160 features were selected. Including additional assignments from the room temperature spectra alone permitted 1362 line intensities of 11 bands (involving 23 vibrational symmetry components) to be reproduced with an RMS of 9%. Over 4085 selected positions for 12 bands were modeled to 0.008/cm. Nevertheless a number of known assignments could not be modeled to within our experimental precisions. More work is needed to obtain a complete characterization of this complex polyad.

Nikitin, A. V.↗
DOE OSTI2021

Peridynamic Model for Microballistic Perforation of Multilayer Graphene

The peridynamic theory of solid mechanics is applied to the continuum modeling of the impact of small, high-velocity silica spheres on multilayer graphene targets. The model treats the laminate as a brittle elastic membrane. The material model includes separate failure criteria for the initial rupture of the membrane and for propagating cracks. Material variability is incorporated by assigning random variations in elastic properties within Voronoi cells. Here, the computational model is shown to reproduce the primary aspects of the response observed in experiments, including the growth of a family of radial cracks from the point of impact.

42 ENGINEERING↗
NASA NTRS2022

Searching for Quasi-periodic Oscillations in Astrophysical Transients Using Gaussian Processes

Analyses of quasi-periodic oscillations(QPOs)are important to understanding the dynamic behavior in manyastrophysical objects during transient events like gamma-ray bursts, solarflares, magnetarflares, and fast radiobursts. Astrophysicists often search for QPOs with frequency-domain methods such as(Lomb–Scargle)periodograms, which generally assume power-law models plus some excess around the QPO frequency. Time-series data can alternatively be investigated directly in the time domain using Gaussian process(GP)regression.While GP regression is computationally expensive in the general case, the properties of astrophysical data andmodels allow fast likelihood strategies. Heteroscedasticity and nonstationarity in data have been shown to causebias in periodogram-based analyses. GPs can take account of these properties. Using GPs, we model QPOs as astochastic process on top of a deterministicflare shape. Using Bayesian inference, we demonstrate how to infer GPhyperparameters and assign them physical meaning, such as the QPO frequency. We also perform model selectionbetween QPOs and alternative models such as red noise and show that this can be used to reliablyfind QPOs. Thismethod is easily applicable to a variety of different astrophysical data sets. We demonstrate the use of this methodon a range of short transients: a gamma-ray burst, a magnetarflare, a magnetar giantflare, and simulated solarflare data.

Moritz Hubner↗
DOE OSTI2022

Impact of the plastic deformation microstructure in metals on the kinetics of recrystallization: A phase-field study

The sensitivity of recrystallization kinetics in metals to the heterogeneity of microstructure and deformation history is a widely accepted experimental fact. However, most of the available recrystallization models employ either a mean field approach or use grain-averaged parameters, and thus neglecting the mesoscopic heterogeneity induced by prior deformation. Here in the present study, we investigate the impact of deformation-induced dislocation (subgrain) structure on the kinetics of recrystallization in metals using the phase-field approach. The primary focus here is upon the role of dislocation cell boundaries. The free energy formulation of the phase-field model accounts for the heterogeneity of the microstructure by assigning localized energy to the resulting dislocation microstructure realizations generated from experimental data. These microstructure realizations are created using the universal scaling laws for the spacing and the misorientation angles of both the geometrically necessary and incidental dislocation boundaries. The resulting free energy is used into an Allen-Cahn based model of recrystallization kinetics, which are solved using the finite element method. The solutions thus obtained shed light on the critical role of the spatial heterogeneity of deformation in the non-smooth growth of recrystallization nuclei and on the final grain structure. The results showed that, in agreement with experiment, the morphology of recrystallization front exhibits protrusions and retrusions. By resolving the subgrain structure, the presented algorithm paves the way for developing predictive kinetic models that fully account for the deformed state of recrystallizing metals.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Porous Flow Modeling of Axial Gas Redistribution in Fragmented LWR Fuel Rods using MOOSE

Understanding how gas axially redistributes within fragmented fuel pellets is crucial for predicting the behavior of Light Water Reactor (LWR) fuel rods, particularly during transient and accidental scenarios. The time scale of this phenomenon plays a fundamental role in determining the progression and hazard of a Loss Of Coolant Accident (LOCA), especially when high burn-up fuel in a severe state of fragmentation is involved. Here, this study presents a Computational Fluid Dynamics (CFD) model developed within the Multiphysics Object-Oriented Simulation Environment (MOOSE) to predict the time-scale of plenum depressurization in Light-Water Reactor (LWR) fuel rods driven by axial gas transport through fragmented pellets. The model examines the effects of incorporating non-linearities in the friction term by comparing the results with experimental data. The experiment employed surrogate fuel rods containing pellets subjected to mechanical and/or thermal loadings to simulate various severity of cracking, and aimed at studying the influence of fuel conditions on axial gas redistribution. The results of this analysis indicate that under certain flow regime conditions - determined by the value of an equivalent Reynolds number - accounting for the non-linear friction term in Navier-Stokes equations guarantees better predictions for the time-scale of plenum depressurization. Also, the model enabled the simulation of the pressure decay by assigning distinct permeability values to each pellet instead of a single uniform value. Multiple simulations were run across all possible pellet position combinations, having each pellet assigned with values of permeability extracted from the experimental data. This allows to quantify the impact of the considering various non-uniform distributions of permeability on the dynamics of axial gas redistribution. The present work findings enhance the understanding of axial gas transport, and provide valuable insights for the integration of a model for predicting the axial gas redistribution during a LOCA scenario into the BISON fuel performance code.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Modeling the interfacial failure and resulting mechanical properties of z-pinned additively manufactured composites

The mechanical properties of Fused Filament Fabrication (FFF) parts are limited in the build direction, albeit advantages such as design flexibility and in-house customization. Here, in this paper, a novel z-pinning approach that enhances mechanical properties in the build direction by depositing material across multiple layers within the part was investigated through numerical simulations and validated experimentally. A finite element model for z-pinned composite structures was developed by assigning fiber-orientation dependent material properties obtained using a micromechanics approach to beads and pins. The bead-to-bead and pin-to-pin adhesions within the z-pinned structures were modeled using a cohesive traction separation law. The properties of cohesive elements for carbon fiber-reinforced polylactic acid (CF-PLA) z-pinned composites were calibrated using tensile experiments. The elastic modulus and tensile strength of CF-PLA z-pinned composites in the build direction were predicted with the developed numerical model. The numerical investigation on various geometrical parameters revealed that the largest pin volume increases the stiffness and tensile strength by 40% and thus, has the greatest influence on the mechanical properties of the z-pinned composites. The effect of z-pin geometrical parameters on the mechanical properties was summarized to aid in the design of z-pinned additively manufactured composite structures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Spatiotemporal-Aware Weighting Scheme for Improving Climate Model Ensemble Predictions

Multimodel ensembling has been widely used to improve climate model predictions, and the improvement strongly depends on the ensembling scheme. In this work, we propose a Bayesian neural network (BNN) ensembling method, which combines climate models within a Bayesian model averaging framework, to improve the predictive capability of model ensembles. Our proposed BNN approach calculates spatiotemporally varying model weights and biases by leveraging individual models' simulation skill, calibrates the ensemble prediction against observations by considering observation data uncertainty, and quantifies epistemic uncertainty when extrapolating to new conditions. More importantly, the BNN method provides interpretability about which climate model contributes more to the ensemble prediction at which locations and times. Thus, beyond its predictive capability, the method also brings insights and understanding of the models to guide further model and data development. In this study, we design experiments using an ensemble of CMIP6 climate model simulations to illustrate the BNN ensembling method's capability with respect to prediction accuracy, interpretability, and uncertainty quantification (UQ). We demonstrate that BNN can correctly assign larger weights to the regions and seasons where the individual model fits the observation better. Moreover, its offered interpretability is consistent with our understanding of localized climate model performance. Additionally, BNN shows an increasing uncertainty when the prediction is farther away from the period with constrained data, which appropriately reflects our trustworthiness of the models in the changing climate.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1995

Inductive Approaches to Improving Diagnosis and Design for Diagnosability

The first research area under this grant addresses the problem of classifying time series according to their morphological features in the time domain. A supervised learning system called CALCHAS, which induces a classification procedure for signatures from preclassified examples, was developed. For each of several signature classes, the system infers a model that captures the class's morphological features using Bayesian model induction and the minimum message length approach to assign priors. After induction, a time series (signature) is classified in one of the classes when there is enough evidence to support that decision. Time series with sufficiently novel features, belonging to classes not present in the training set, are recognized as such. A second area of research assumes two sources of information about a system: a model or domain theory that encodes aspects of the system under study and data from actual system operations over time. A model, when it exists, represents strong prior expectations about how a system will perform. Our work with a diagnostic model of the RCS (Reaction Control System) of the Space Shuttle motivated the development of SIG, a system which combines information from a model (or domain theory) and data. As it tracks RCS behavior, the model computes quantitative and qualitative values. Induction is then performed over the data represented by both the 'raw' features and the model-computed high-level features. Finally, work on clustering for operating mode discovery motivated some important extensions to the clustering strategy we had used. One modification appends an iterative optimization technique onto the clustering system; this optimization strategy appears to be novel in the clustering literature. A second modification improves the noise tolerance of the clustering system. In particular, we adapt resampling-based pruning strategies used by supervised learning systems to the task of simplifying hierarchical clusterings, thus making post-clustering analysis easier.

Fisher, Douglas H.↗
DOE OSTI2025

Planar Defect Layers Template a High-Pressure InBi Polymorph

The short- and long-range order of III–V materials under high pressure has long been the subject of debate, with advancements in structural characterization leading to significant revisions to the accepted structural models. Despite these revisions, previous high-pressure structural assignments in the In–Bi system include the site-disordered β-Sn structure type, a structure type demonstrated to be nonexistent in analogous III–V systems. While X-ray diffraction is consistent with site disordering in InBi at high pressure, cluster expansion calculations indicate that disordering requires temperatures above 3000 K. Here, we propose InBi as a model material for studying unique high-pressure planar defects due to its highly anisotropic stress-dependent properties and structure. Specifically, we identify two sets of planar defects that mimic the diffraction pattern of a site disordered β-Sn structure type and are compatible with the calculated disorder barrier. We derive these defects by symmetry relations over crystallographic transitions. Density functional theory calculations of the proposed defects suggest that these defects are stabilized by diminishing interlayer separations with pressure. Further, we find that one of the proposed defects closely resembles a bulk high-pressure phase of InBi, InBi-ϵ, and we assert that the proposed defects order upon heating, acting as a template for InBi-ϵ growth. The proposed defects and their electronic structure provide a basis for the trend of superconducting critical temperature with increasing pressure. These methods for identifying defects are generalizable to other materials with reports of site disorder at high pressure, prompting a broader search for related high-pressure defects.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Task Assignment Heuristics for Parallel and Distributed CFD Applications

This paper proposes a task graph (TG) model to represent a single discrete step of multi-block overset grid computational fluid dynamics (CFD) applications. The TG model is then used to not only balance the computational workload across the overset grids but also to reduce inter-grid communication costs. We have developed a set of task assignment heuristics based on the constraints inherent in this class of CFD problems. Two basic assignments, the smallest task first (STF) and the largest task first (LTF), are first presented. They are then systematically costs. To predict the performance of the proposed task assignment heuristics, extensive performance evaluations are conducted on a synthetic TG with tasks defined in terms of the number of grid points in predetermined overlapping grids. A TG derived from a realistic problem with eight million grid points is also used as a test case.

Lopez-Benitez, Noe↗
DOE OSTI2020

Extending the Southern Shore of the Island of Inversion to F 28

Detailed spectroscopy of the neutron-unbound nucleus 28 F has been performed for the first time following proton/neutron removal from 29 Ne/ 29 F beams at energies around 230 MeV / nucleon . The invariant-mass spectra were reconstructed for both the 27 F(*) + n and 26 F(*) + 2n coincidences and revealed a series of well-defined resonances. A near-threshold state was observed in both reactions and is identified as the 28 F ground state, with S n ( 28 F) = -199(6) keV, while analysis of the 2n decay channel allowed a considerably improved S n ( 27 F) = 162(60) keV to be deduced. Comparison with shell-model predictions and eikonal-model reaction calculations have allowed spin-parity assignments to be proposed for some of the lower-lying levels of 28 F. Importantly, in the case of the ground state, the reconstructed 27 F + n momentum distribution following neutron removal from 29 F indicates that it arises mainly from the 1p 3/2 neutron intruder configuration. Finally, this demonstrates that the island of inversion around N = 20 includes 28 F, and most probably 29 F, and suggests that 28 O is not doubly magic.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2011

The Analysis of the Patterns of Radiation-Induced DNA Damage Foci by a Stochastic Monte Carlo Model of DNA Double Strand Breaks Induction by Heavy Ions and Image Segmentation Software

To create a generalized mechanistic model of DNA damage in human cells that will generate analytical and image data corresponding to experimentally observed DNA damage foci and will help to improve the experimental foci yields by simulating spatial foci patterns and resolving problems with quantitative image analysis. Material and Methods: The analysis of patterns of RIFs (radiation-induced foci) produced by low- and high-LET (linear energy transfer) radiation was conducted by using a Monte Carlo model that combines the heavy ion track structure with characteristics of the human genome on the level of chromosomes. The foci patterns were also simulated in the maximum projection plane for flat nuclei. Some data analysis was done with the help of image segmentation software that identifies individual classes of RIFs and colocolized RIFs, which is of importance to some experimental assays that assign DNA damage a dual phosphorescent signal. Results: The model predicts the spatial and genomic distributions of DNA DSBs (double strand breaks) and associated RIFs in a human cell nucleus for a particular dose of either low- or high-LET radiation. We used the model to do analyses for different irradiation scenarios. In the beam-parallel-to-the-disk-of-a-flattened-nucleus scenario we found that the foci appeared to be merged due to their high density, while, in the perpendicular-beam scenario, the foci appeared as one bright spot per hit. The statistics and spatial distribution of regions of densely arranged foci, termed DNA foci chains, were predicted numerically using this model. Another analysis was done to evaluate the number of ion hits per nucleus, which were visible from streaks of closely located foci. In another analysis, our image segmentaiton software determined foci yields directly from images with single-class or colocolized foci. Conclusions: We showed that DSB clustering needs to be taken into account to determine the true DNA damage foci yield, which helps to determine the DSB yield. Using the model analysis, a researcher can refine the DSB yield per nucleus per particle. We showed that purely geometric artifacts, present in the experimental images, can be analytically resolved with the model, and that the quantization of track hits and DSB yields can be provided to the experimentalists who use enumeration of radiation-induced foci in immunofluorescence experiments using proteins that detect DNA damage. An automated image segmentaiton software can prove useful in a faster and more precise object counting for colocolized foci images.

Ponomarev, Artem↗
NASA NTRS1995

Correlations of Different Surface Tests: Tire Behavior Math Model for the High Speed Civil Transport (HSCT) and Michelin Tire Properties Tests for Boeing 777

In the surfaces correlation study, several different volumetric and drainage measurement techniques for classifying surface texture were evaluated as part of a major study to develop and improve methods for predicting tire friction performance on all types of pavement. The objective of the evaluation was to seek relationships between the different techniques, and to relate those results to surface frictional characteristics. We needed to know how each of the tests could be related to each other. Another of my assigned projects was to make a tire behavior math model for the High Speed Civil Transport (HSCT) using the same methods used for the space shuttle a few years ago. A provided third order equation with two variables was used. This model will also be used for studies with the Boeing 777. Only a few changes will be necessary to adapt it for this other aircraft, which is the newest offered by Boeing. In my final project I was involved with testing the tires for this new aircraft using the Aircraft Landing Dynamics Facility (ALDF) test carriage within the carriage house at LaRC. A 50 inch diameter radial tire manufactured by Michelin Aircraft Tire Corporation had to be tested to double overload of 114,000 pounds. The rated load of each tire is 57,000 pounds, but Boeing required tests assuming failure of a companion tire that could have cost Michelin approximately $12 million to build a facility to provide the required test capability. Here at LaRC, only minimum modifications to the facility were required to perform this specific test.

Roman, Ivan↗
DOE OSTI2023

Emulation of seismic-phase traveltimes with machine learning

SUMMARY We present a machine learning (ML) method for emulating seismic-phase traveltimes that are computed using a global-scale 3-D earth model and physics-based ray tracing. Accurate traveltime predictions based on 3-D earth models are known to reduce the bias of event location estimates, increase our ability to assign phase labels to seismic detections and associate detections to events. However, practical use of 3-D models is challenged by slow computational speed and the unwieldiness of pre-computed lookup tables that are often large and have prescribed computational grids. In this work, we train a ML emulator using pre-computed traveltimes, resulting in a compact and computationally fast way to approximate traveltimes that are based on a 3-D earth model. Our model is trained using approximately 850 million P-wave traveltimes that are based on the global LLNL-G3D-JPS model, which was developed for more accurate event location. The training-set consists of traveltimes between 10 393 global seismic stations and randomly sampled event locations that provide a prescribed, distance-dependent geographic sample density for each station. Prediction accuracy is dependent on event-station distance and whether the station was included in the training set. For stations included in the training set the mean absolute deviation (MAD) of the difference between traveltimes computed using ray tracing through the 3-D model and the ML emulator for local, regional, and teleseismic distances are 0.090, 0.125 and 0.121 s, respectively. For tested station locations not included in the training set, MAD values for the three distance ranges increase to 0.173, 0.219 and 0.210 s, respectively. Empirical traveltime residuals for a global reference data are indistinguishable when ML emulation or the 3-D model is used to compute traveltimes. This result holds regardless of whether the recording station is used in ML training or not.

58 GEOSCIENCES↗
DOE OSTI2024

A Vehicle-to-Grid planning framework incorporating electric vehicle user equilibrium and distribution network flexibility enhancement

The rapid surge in electric vehicle (EV) adoption, coupled with advancements in charging technologies, emphasizes the critical necessity for expanding EV recharging infrastructure. Simultaneously, the Distribution Network (DN) encounters escalating challenges in meeting charging demand during peak traffic periods. Consequently, there is a mounting demand for the deployment of innovative Vehicle-to-Grid (V2G) technologies to augment the DN’s flexibility in power dispatch and alleviate travel costs for EV users. Hence, this paper proposes an EV-user-equilibrium-(UE)-constrained V2G planning framework that enhances flexibility in the DN. The framework aims to ascertain the optimal placement and capacity of EV charging stations (EVCSs) and V2G charging piles within the Transportation Network (TN). It takes into account the equilibrium condition stemming from competitive EV charging and routing behaviors alongside the optimal expansion of DN energy resources to accommodate the electricity supplied by the V2G piles. This study commences by analyzing EV drivers’ travel decisions, considering the influence of charging and V2G pile locations and sizes. Subsequently, we tackle the Traffic Assignment Problem with User Equilibrium (TAP-UE) model to characterize the steady-state traffic flow distribution of EVs. Following this, we formulate the optimization model for the Coordinated Power and Transportation Network (CPTN), which encompasses the optimal expansion of DN facilities and traffic flow regulation under UE conditions. To mitigate the computational complexity associated with the V2G planning model, we introduce a series of linearization methods to obtain a manageable Mixed-Integer Linear Programming (MILP) solution. Finally, to validate the efficacy of our proposed planning framework, we apply it to two test systems, including a real-world case study. Through these case studies, we explore the necessity and potential benefits of V2G technologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

The three cellulose synthase isoforms for secondary cell wall make specific contributions to microfibril synthesis

Cellulose is synthesized at the plasma membrane by the cellulose synthase complex, a structure that contains three distinct isoforms of the catalytic subunit, cellulose synthase A (CESA). The division into three subunits appears early in land plant evolution and is highly conserved, particularly for the secondary cell wall. However, what if any unique roles each isoform plays in the complex remain unclear. Here, we assessed the contributions of specific isoforms to microfibril synthesis. First, we expressed CESA isoforms of the primary cell wall or the moss Physcomitrium patens in Arabidopsis thaliana backgrounds missing a secondary cell wall CESA. While the primary cell wall isoforms rescued the cesa knockout phenotype with partial isoform specificity, those from the moss rescued with fewer restrictions. Then, we recreated various CESA missense mutations in all three of the secondary cell wall isoforms; while results are consistent with isoform specificity, they are difficult to interpret further without molecular structures. Finally, we show that catalytically inactive CESA isoforms restore growth and cellulose content in the corresponding knockout in an isoform-specific manner; along with partial rescue of the growth and cellulose content of the inflorescence stem, the replacement lines have fiber cells with partially disorganized microfibrils and secondary cell wall cellulose with narrow crystal width. Generally, effects were more pronounced in lines where CESA8 was inactivated compared with inactivating CESA4 or 7, which tended to have similar phenotypes to each other. Here, we account for these results with a model for cellulose synthase structure with the isoforms assigned specific localization within the cellulose synthase complex.

59 BASIC BIOLOGICAL SCIENCES↗