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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Program Helps To Determine Chemical-Reaction Mechanisms

General Chemical Kinetics and Sensitivity Analysis (LSENS) computer code developed for use in solving complex, homogeneous, gas-phase, chemical-kinetics problems. Provides for efficient and accurate chemical-kinetics computations and provides for sensitivity analysis for variety of problems, including problems involving honisothermal conditions. Incorporates mathematical models for static system, steady one-dimensional inviscid flow, reaction behind incident shock wave (with boundary-layer correction), and perfectly stirred reactor. Computations of equilibrium properties performed for following assigned states: enthalpy and pressure, temperature and pressure, internal energy and volume, and temperature and volume. Written in FORTRAN 77 with exception of NAMELIST extensions used for input.

Bittker, D. A.↗
DOE OSTI2020

DeepClone: Lightweight State Replication of Deep Learning Models for Data Parallel Training

Training modern deep neural network (DNN) models involves complex workflows triggered by model exploration, sensitivity analysis, explainability, etc. A key primitive in this context is the ability to clone a model training instance, i.e. “fork” the training process in a potentially different direction, which enables comparisons of different evolution paths using variations of training data and model parameters. However, in a quest improve the training throughput, a mix of data parallel, model parallel, pipeline parallel and layer-wise parallel approaches are making the problem of cloning highly complex. In this paper, we explore the problem of efficient cloning under such circumstances. To this end, we leverage several properties of data-parallel training and layer-wise parallelism to design DeepClone, a cloning approach based on augmenting the execution graph to gain direct access to tensors, which are then sharded and reconstructed asynchronously in order to minimize runtime overhead, standby duration, readiness duration. Compared with state-of-art approaches, DeepClone shows orders of magnitude improvement for several classes of DNN models.

data-parallel training↗
DOE OSTI2025

Ductility mechanisms in complex concentrated refractory alloys from atomistic fracture simulations

The striking variation in damage tolerance among refractory complex concentrated alloys is examined through the analysis of atomistic fracture simulations, contrasting behavior in elemental Nb with that in brittle NbMoTaW and ductile Nb45Ta25Ti15Hf15. We employ machine-learning interatomic potentials (MLIPs), including a new MLIP developed for NbTaTiHf, in atomistic simulations of crack tip extension mechanisms based on analyses of atomistic fracture resistance curves. While the initial behavior of sharp cracks shows good correspondence with the Rice theory, fracture resistance curves reveal marked changes in fracture modes for the complex alloys as crack extension proceeds. In NbMoTaW, compositional complexity appears to promote dislocation nucleation relative to pure Nb, despite theoretical predictions that the alloy should be relatively more brittle. In Nb45Ta25Ti15Hf15, alloying alters the fracture mode compared to elemental Nb, promoting crack tip blunting and enhancing resistance to crack propagation.

Computational methods↗
DOE OSTI2024

Electronic structure analysis and DFT benchmarking of Rydberg-type alkali-metal-crown ether, -cryptand, and -adamanzane complexes

Density functional theory (DFT) and electron propagator theory (EPT) calculations were performed to study ground and excited electronic structures of alkali-metal (M) coordinated 9-crown-3, 24-crown-8, [2.1.1]cryptand, o-Me 2 -1.1.1, and 3 6 Adamanzane complexes. Each complex bears an expanded electron in the periphery and occupies diffuse 1p-, 1d-, 1f-type molecular orbitals (or superatomic 1P, 1D, 1F orbitals) in excited electronic states. The calculated superatomic shell model of the M(9-crown-3) 2 is 1S, 1P, 1D, 1F, 2S, 2P, 2D, 1G and it is held by all other complexes up to the studied 1F level. Due to the highly diffuse nature of the electron, the ionization energies of these complexes are significantly lower (1.6–2.0 eV) and hence these complexes belong to the superalkali category. Further, the ab initio EPT ionization energy and the excitation energies of the Li(9-crown-3) 2 were used to evaluate DFT errors associated with a series of exchange correlation functionals that span multiple rungs of Jacob's ladder (i.e., GGA, meta-GGA, global GGA hybrid, meta-GGA hybrid, range-separated hybrid, double-hybrid). Among these, the best performing functional is the range-separated hybrid CAM-B3LYP and the errors are within 6% of high-level ab initio EPT results. The accuracy of CAM-B3LYP is indeed transferable to similar complexes and hence the findings are expected to accelerate the progression of studies of Rydberg-type systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

Energy Finite Element Analysis Developments for Vibration Analysis of Composite Aircraft Structures

The Energy Finite Element Analysis (EFEA) has been utilized successfully for modeling complex structural-acoustic systems with isotropic structural material properties. In this paper, a formulation for modeling structures made out of composite materials is presented. An approach based on spectral finite element analysis is utilized first for developing the equivalent material properties for the composite material. These equivalent properties are employed in the EFEA governing differential equations for representing the composite materials and deriving the element level matrices. The power transmission characteristics at connections between members made out of non-isotropic composite material are considered for deriving suitable power transmission coefficients at junctions of interconnected members. These coefficients are utilized for computing the joint matrix that is needed to assemble the global system of EFEA equations. The global system of EFEA equations is solved numerically and the vibration levels within the entire system can be computed. The new EFEA formulation for modeling composite laminate structures is validated through comparison to test data collected from a representative composite aircraft fuselage that is made out of a composite outer shell and composite frames and stiffeners. NASA Langley constructed the composite cylinder and conducted the test measurements utilized in this work.

Vlahopoulos, Nickolas↗
DOE OSTI2018

Formation and redox reactivity of ferrihydrite-organic carbon-calcium co-precipitates

Complexation with minerals plays a critical role in regulating the stability of organic matter. The presence of cations is assumed to be important for the complexation between organic matter and minerals, but there is still limited direct analysis for the formation and reactivity of mineral-organic matter-cation ternary complexes, as well as governing factors for the fate of minerals and organic matter in the complexes. In order to close this knowledge gap, we investigated the formation and reactivity of ferrihydrite (Fh)-organic carbon (OC)-calcium (Ca) ternary co-precipitates. We performed microbial anaerobic Fe reduction using Shewanella putrefaciens CN32 on synthesized Fh-OC-Ca co-precipitates and characterized OC and Fe minerals using various spectroscopic and wet chemistry techniques. We discovered that Ca incorporated into the co-precipitate was a function of OC/iron (Fe) ratio, but OC incorporation was not impacted by the Ca content. During the reduction, the presence of Ca favored the formation of green rust but decreased the formation of magnetite and siderite in co-precipitates with high OC content. The reduction of Fe and reductive release of Fe-bound OC were controlled primarily by the C/Fe ratio, rather than Ca/Fe ratio. Phenolic OC was preferentially released or degraded during the reduction compared to aromatic and carboxylic OC. Collectively, C/Ca incorporation data, Fe K-edge extended X-ray absorption fine structure (EXAFS) analysis for co-precipitates before and after reduction, and the reductive release of Ca and OC suggest the formation of Fh-OC-Ca ternary co-precipitates, likely with OC as bridges. The reduction of Fe and reductive release of OC were primarily controlled by the C/Fe ratio, whereas the presence of Ca affected the mineral phase transformation for Fh during the reduction of Fe. Thus, our results provide novel understanding for the formation and reactivity of Ca-based ternary co-precipitates, which can be valuable for building up process-based models for cycles of carbon and metals.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2011

VESGEN Mapping of Bioactive Protection against Intestinal Inflammation: Application to Human Spaceflight and ISS Experiments

Challenges to successful space exploration and colonization include adverse physiological reactions to micro gravity and space radiation factors. Constant remodeling of the microvasculature is critical for tissue preservation, wound healing, and recovery after ischemia. Regulation of the vascular system in the intestine is particularly important to enable nutrient absorption while maintaining barrier function and mucosal defense against micro biota. Although tremendous progress has been made in understanding the molecular circuits regulating neovascularization, our knowledge of the adaptations of the vascular system to environmental challenges in the intestine remains incomplete. This is in part because of the lack of methods to observe and quantify the complex processes associated with vascular responses in vivo. Developed by GRC as a mature beta version, pre-release research software, VESsel GENeration Analysis (VESGEN) maps and quantifies the fractal-based complexity of vascular branching for novel insights into the cytokine, transgenic and therapeutic regulation of angiogenesis, lymphangiogenesis and microvascular remodeling. Here we demonstrate that VESGEN can be used to characterize the dynamic vascular responses to acute intestinal inflammation and mucosal recovery from in vivo confocal microscopic 3D image series. We induced transient intestinal inflammation in mice by DSS treatment and investigated whether the ability of the pro biotic yeast Saccharomyces boulardii (Sb) to protect against intestinal inflammation was due to regulation of vascular remodeling. A primary characteristic of inflammation is excessive neovascularization (angiogenesis) resulting in fragile vessels prone to bleeding. Morphological parameters for triplicate specimens revealed that Sb treatment greatly reduced the inflammatory response of vascular networks by an average of 78%. This resulted from Sb inhibition of vascular endothelial growth factor receptor signaling, a major angiogenesis signaling pathway. It needs to be determined whether pro biotic yeast represents a promising approach to GI protection in space. GRC performed only the VESGEN post-testing analysis.

Parsons-Wingerter, P. A.↗
NASA NTRS1992

Quantitative analysis of bidirectional electron fluxes within coronal mass ejections at 1 AU

The solar wind electron heat flux is carried primarily by suprathermal electrons beamed antisunward along the interplanetary magnetic field. However, analysis of electron observations at 1 AU has shown that counterstreaming electron beams, suggesting closed magnetic structures, prevail within coronal mass ejections (CMEs). These structures might be magnetic 'tongues', magnetically detached plasmoids, or complex flux ropes. Here we show results of analysis of ISEE-3 observations within 39 CMEs, including the asymmetry between the two beams, its control by magnetic field orientation, and the variation of the electron distributions as CMEs convect past the spacecraft. We find that some CMEs are strongly asymmetric, with the antisunward beam generally dominant, while others contain nearly symmetric beams. The beam asymmetries, and the magnetic field orientations, exhibit characteristic trends as CMEs pass over the spacecraft. We present an example of a distinctive 'strahl-on-strahl' distribution, suggesting continued magnetic connection to the corona, in which a narrow antisunward beam is superimposed on a broader beam. Our results favor continuing magnetic connection to the Sun in a tongue or flux rope geometry rather than a fully detached plasmoid.

Phillips, J. L.↗
DOE OSTI2021

Time delay lens modelling challenge

ABSTRACT In recent years, breakthroughs in methods and data have enabled gravitational time delays to emerge as a very powerful tool to measure the Hubble constant H0. However, published state-of-the-art analyses require of order 1 yr of expert investigator time and up to a million hours of computing time per system. Furthermore, as precision improves, it is crucial to identify and mitigate systematic uncertainties. With this time delay lens modelling challenge, we aim to assess the level of precision and accuracy of the modelling techniques that are currently fast enough to handle of order 50 lenses, via the blind analysis of simulated data sets. The results in Rungs 1 and 2 show that methods that use only the point source positions tend to have lower precision ($10\!-\!20{{\ \rm per\ cent}}$) while remaining accurate. In Rung 2, the methods that exploit the full information of the imaging and kinematic data sets can recover H0 within the target accuracy (|A| < 2 per cent) and precision (<6 per cent per system), even in the presence of a poorly known point spread function and complex source morphology. A post-unblinding analysis of Rung 3 showed the numerical precision of the ray-traced cosmological simulations to be insufficient to test lens modelling methodology at the percent level, making the results difficult to interpret. A new challenge with improved simulations is needed to make further progress in the investigation of systematic uncertainties. For completeness, we present the Rung 3 results in an appendix and use them to discuss various approaches to mitigating against similar subtle data generation effects in future blind challenges.

Ding, X.↗
DOE OSTI2025

Modal Analysis and Testing of a Cantilever Beam: Results and Guide

This report discusses modal analysis and testing of a cantilever beam including an introduction to modal testing, simulation, analysis, and a comparison of results. An accompanying presentation can be found from the LLNL CASIS website. Modal testing and analysis are essential for characterizing the response of a structure during vibration environments. Determining natural frequencies and mode shapes helps determine whether resonances will be reached during operations and if so, how the structure will respond and how the response can be tuned. The goal of this work is to convey the basics of modal testing and analysis through a simple project. This can be applied later to more complex, applicable structures. This includes a variety of work including data collection, finite element analysis and data processing. For this project a cantilever beam was chosen because it is a simple, well-characterized structure.

42 ENGINEERING↗
NASA NTRS1978

Practical experience in analysis of aerospace shell structures

A review of the experience in analyzing structural components of several NASA space vehicles is given. Improvements to shell analysis capability which had a direct impact on accurately predicting the structural behavior of complex shell structures are identified. The status of current capability for shell analysis is reviewed and the areas still needing improvement are indicated.

Anderson, M. S.↗
NASA NTRS1981

Organic analysis of the Antarctic carbonaceous chondrites

Thus far, organic analysis of carbonaceous chondrites has proven the only fruitful means of examining complex organic matter of extraterrestrial origin. The present paper presents the results of organic analysis of two Antarctic meteorites, Allan Hills (77306) and Yamato (74662), which may be considered free from terrestrial contamination. Ion-exchange chromatography, gas chromatography and mass spectrometery of meteorite samples reveal the presence in Yamato of 15 and in Allan Hills of 20 protein and nonprotein amino acids, the most abundant of which are glycine and alanine. Abundances of the D and L enantiomers of each amino acid are also found to be nearly equal. Data thus indicate an abiotic extraterrestrial origin for the matter, and confirm a lack of terrestrial contamination.

Kotra, R. K.↗
NASA NTRS1999

Development of Analysis Methods for Designing with Composites

The project involved the development of new analysis methods to achieve efficient design of composite structures. We developed a complex variational formulation to analyze the in-plane and bending coupling response of an unsymmetrically laminated plate with an elliptical cutout subjected to arbitrary edge loading as shown in Figure 1. This formulation utilizes four independent complex potentials that satisfy the coupled in-plane and bending equilibrium equations, thus eliminating the area integrals from the strain energy expression. The solution to a finite geometry laminate under arbitrary loading is obtained by minimizing the total potential energy function and solving for the unknown coefficients of the complex potentials. The validity of this approach is demonstrated by comparison with finite element analysis predictions for a laminate with an inclined elliptical cutout under bi-axial loading.The geometry and loading of this laminate with a lay-up of [-45/45] are shown in Figure 2. The deformed configuration shown in Figure 3 reflects the presence of bending-stretching coupling. The validity of the present method is established by comparing the out-of-plane deflections along the boundary of the elliptical cutout from the present approach with those of the finite element method. The comparison shown in Figure 4 indicates remarkable agreement. The details of this method are described in a manuscript by Madenci et al. (1998).

Madenci, E.↗
DOE OSTI2021

Sensitivity Analysis of Particle-In-Cell Modeling Parameters in Settling Bed, Bubbling Fluidized Bed and Circulating Fluidized Bed

The objective of the work presented is to perform a preliminary sensitivity analysis of particle-in-cell (PIC) model parameters when applied to settling bed, bubbling fluidized bed, and circulating fluidized bed simulations. These examples correspond to widely different flow conditions commonly seen in chemical engineering applications. Simulations were performed using the PIC method in the open-source software Multiphase Flow with Interphase eXchanges (MFiX) developed by the National Energy Technology Laboratory (NETL). As part of the non-intrusive uncertainty quantification (UQ) analysis, simulation campaigns were generated using Nodeworks. Sampling locations or settings for PIC model parameters were determined using the Latin Hypercube method. Response surfaces were created using radial basis functions (RBF), and Sobol’ indices were estimated to quantify the influence of model parameters on the quantities of interest (QoI). This study marks a first step towards systematically determining optimal ranges for model parameters used in MFiX-PIC. Based on limited experience, it is expected that these values would depend strongly on flow conditions. Given the complexity of the multiphase flow systems under analysis, a non-intrusive UQ based approach is used to identify the most influential parameters in each case. This prior knowledge will help in proposing an effective design of experiments (DoE) and determine optimal parameters through techniques such as deterministic or Bayesian calibration, which will be pursued in the future.

42 ENGINEERING↗
DOE OSTI2023

The AXEAP2 program for K β X-ray emission spectra analysis using artificial intelligence

The processing and analysis of synchrotron data can be a complex task, requiring specialized expertise and knowledge. Our previous work addressed the challenge of X-ray emission spectrum (XES) data processing by developing a standalone application using unsupervised machine learning. However, the task of analyzing the processed spectra remains another challenge. Although the non-resonant K β XES of 3 d transition metals are known to provide electronic structure information such as oxidation and spin state, finding appropriate parameters to match experimental data is a time-consuming and labor-intensive process. Here, a new XES data analysis method based on the genetic algorithm is demonstrated, applying it to Mn, Co and Ni oxides. This approach is also implemented as a standalone application, Argonne X-ray Emission Analysis 2 ( AXEAP2 ), which finds a set of parameters that result in a high-quality fit of the experimental spectrum with minimal intervention. AXEAP2 is able to find a set of parameters that reproduce the experimental spectrum, and provide insights into the 3 d electron spin state, 3 d –3 p electron exchange force and K β emission core-hole lifetime.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Configuration design sensitivity analysis of built-up structures

In the design of complex built-up structures that are made of truss, beam, membrane, shell, and solid, there are five different kinds of design variables: material property, sizing, shape, configuration, and topological variables. Previous research has shown that the improvement in performances obtained by altering the configuration of structural components can be much more significant than those obtained when the geometry is assumed to be fixed. Using the variational approach, a unified design sensitivity was developed for the first three kinds of design variables, and was further extended recently in many structural analysis problems such as nonlinear, structural dynamics, and frequency response analysis. A continuum design sensitivity analysis method is developed for the configuration design variable of built-up structures.

Choi, Kyung K.↗
NASA NTRS1990

Application of advanced multidisciplinary analysis and optimization methods to vehicle design synthesis

Advanced multidisciplinary analysis and optimization methods, namely system sensitivity analysis and non-hierarchical system decomposition, are applied to reduce the cost and improve the visibility of an automated vehicle design synthesis process. This process is inherently complex due to the large number of functional disciplines and associated interdisciplinary couplings. Recent developments in system sensitivity analysis as applied to complex non-hierarchic multidisciplinary design optimization problems enable the decomposition of these complex interactions into sub-processes that can be evaluated in parallel. The application of these techniques results in significant cost, accuracy, and visibility benefits for the entire design synthesis process.

Consoli, Robert David↗