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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Finite-Strain Fractional-Order Viscoelastic (FOV) Material Models and Numerical Methods for Solving Them

Fraction-order viscoelastic (FOV) material models have been proposed and studied in 1D since the 1930's, and were extended into three dimensions in the 1970's under the assumption of infinitesimal straining. It was not until 1997 that Drozdov introduced the first finite-strain FOV constitutive equations. In our presentation, we shall continue in this tradition by extending the standard, FOV, fluid and solid, material models introduced in 1971 by Caputo and Mainardi into 3D constitutive formula applicable for finite-strain analyses. To achieve this, we generalize both the convected and co-rotational derivatives of tensor fields to fractional order. This is accomplished by defining them first as body tensor fields and then mapping them into space as objective Cartesian tensor fields. Constitutive equations are constructed using both variants for fractional rate, and their responses are contrasted in simple shear. After five years of research and development, we now possess a basic suite of numerical tools necessary to study finite-strain FOV constitutive equations and their iterative refinement into a mature collection of material models. Numerical methods still need to be developed for efficiently solving fraction al-order integrals, derivatives, and differential equations in a finite element setting where such constitutive formulae would need to be solved at each Gauss point in each element of a finite model, which can number into the millions in today's analysis.

Freed, Alan D.↗
DOE OSTI2024

Analysis of strain in ion implanted 4H-SiC by fringes observed in synchrotron X-ray topography

A novel high energy implantation system has been successfully developed to fabricate 4H-SiC superjunction devices for medium and high voltage via implantation of dopant atoms with multi-energies ranging from 13 to 66 MeV. The significantly higher levels of energy used compared to conventional implantation processes, necessitates detailed characterization of the lattice damage caused by implantation. To achieve this by employing the novel high energy system, 4H-SiC wafer with 12 μm epilayers were blanket implanted by 13.8–65.7 MeV Al atoms. The lattice damages induced by the implantation were primarily characterized by Synchrotron X-ray Plane Wave Topography (SXPWT) and Reciprocal Space Mapping (RSM). Topographs reveal fringe contrast akin to multiple asymmetric diffraction peaks with an angular separation of only 2″ (arcseconds) observed on rocking curves, indicating inhomogeneous strain distribution across the implanted layer. The strain profile of the implanted layer was extracted from the fringe contrast by applying Rocking-curve Analysis by Dynamical Simulation (RADS). In conclusion, the maximum strain value is similar to that measured on the RSM.

A1. Characterization↗
DOE OSTI2022

Grassmannian diffusion maps based surrogate modeling via geometric harmonics

Abstract A novel surrogate model based on the Grassmannian diffusion maps (GDMaps) and utilizing geometric harmonics (GH) is developed for predicting the response of complex physical phenomena. The method utilizes GDMaps to obtain a low‐dimensional representation of the underlying behavior of physical/mathematical systems with respect to uncertain input parameters. Using this representation, GH, an out‐of‐sample extension technique, is employed to create a global map from the input parameter space to a Grassmannian diffusion manifold. GH is further employed to locally map points on the diffusion manifold onto the tangent space of a Grassmann manifold. The exponential map is then used to project the points in the tangent space onto the Grassmann manifold, where reconstruction of the full solution is performed. The performance of the proposed surrogate model is verified with three examples. The first problem is a toy example used to illustrate the technique. In the second example, errors associated with the various mappings are assessed by studying response predictions of the electric potential of a dielectric cylinder in a homogeneous electric field. The last example applies the method for uncertainty prediction in the strain field evolution in a model amorphous material using the shear transformation zone theory of plasticity.

42 ENGINEERING↗
DOE OSTI2026

Mapping the Residual Stress Distribution in Polycrystalline Quartz Tiger's Eye Using Raman Spectroscopy

Stress distribution maps in polycrystalline materials are needed to reveal stress pathways caused by short‐and long‐range interactions of crystallites. Stress induced changes to wavenumbers in Raman spectroscopy is a well‐known phenomenon that occurs when a crystalline material undergoes elastic strain. Using spatially resolved Raman spectroscopy, we have developed a technique to experimentally measure grain‐scale residual stresses across a sample of polycrystal quartz Tiger's Eye. The results of this technique are validated using multiple criteria, including evaluation of the residual stress map itself and the accuracy of the measurements taken. The residual map of Tiger's Eye shows striking similarity to observed characteristics of other polycrystalline residual stress distributions, revealing heterogenous areas of high and low magnitude stresses. The stress magnitudes are consistent with residual stress magnitudes previously measured from polycrystalline quartz. Characterization of Tiger's Eye quartz also revealed the geometric nature of the iron oxide inclusions, not previously observed in Tiger's Eye quartz. With this technique, we present a residual stress map of Tiger's Eye quartz that shows with accuracy a heterogeneous stress state with inter‐ and intra‐granular detail.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Unraveling the Correlation between Raman and Photoluminescence in Monolayer MoS 2 through Machine‐Learning Models

Abstract 2D transition metal dichalcogenides (TMDCs) with intense and tunable photoluminescence (PL) have opened up new opportunities for optoelectronic and photonic applications such as light‐emitting diodes, photodetectors, and single‐photon emitters. Among the standard characterization tools for 2D materials, Raman spectroscopy stands out as a fast and non‐destructive technique capable of probing material's crystallinity and perturbations such as doping and strain. However, a comprehensive understanding of the correlation between photoluminescence and Raman spectra in monolayer MoS 2 remains elusive due to its highly nonlinear nature. Here, the connections between PL signatures and Raman modes are systematically explored, providing comprehensive insights into the physical mechanisms correlating PL and Raman features. This study's analysis further disentangles the strain and doping contributions from the Raman spectra through machine‐learning models. First, a dense convolutional network (DenseNet) to predict PL maps by spatial Raman maps is deployed. Moreover, a gradient boosted trees model (XGBoost) with Shapley additive explanation (SHAP) to bridge the impact of individual Raman features in PL features is applied. Last, a support vector machine (SVM) to project PL features on Raman frequencies is adopted. This work may serve as a methodology for applying machine learning to characterizations of 2D materials.

Lu, Ang‐Yu↗
NASA NTRS2007

Deep Space Network Antenna Logic Controller

The Antenna Logic Controller (ALC) software controls and monitors the motion control equipment of the 4,000-metric-ton structure of the Deep Space Network 70-meter antenna. This program coordinates the control of 42 hydraulic pumps, while monitoring several interlocks for personnel and equipment safety. Remote operation of the ALC runs via the Antenna Monitor & Control (AMC) computer, which orchestrates the tracking functions of the entire antenna. This software provides a graphical user interface for local control, monitoring, and identification of faults as well as, at a high level, providing for the digital control of the axis brakes so that the servo of the AMC may control the motion of the antenna. Specific functions of the ALC also include routines for startup in cold weather, controlled shutdown for both normal and fault situations, and pump switching on failure. The increased monitoring, the ability to trend key performance characteristics, the improved fault detection and recovery, the centralization of all control at a single panel, and the simplification of the user interface have all reduced the required workforce to run 70-meter antennas. The ALC also increases the antenna availability by reducing the time required to start up the antenna, to diagnose faults, and by providing additional insight into the performance of key parameters that aid in preventive maintenance to avoid key element failure. The ALC User Display (AUD) is a graphical user interface with hierarchical display structure, which provides high-level status information to the operation of the ALC, as well as detailed information for virtually all aspects of the ALC via drill-down displays. The operational status of an item, be it a function or assembly, is shown in the higher-level display. By pressing the item on the display screen, a new screen opens to show more detail of the function/assembly. Navigation tools and the map button allow immediate access to all screens.

Ahlstrom, Harlow↗
DOE OSTI2020

XtalCAMP: a comprehensive program for the analysis and visualization of scanning Laue X-ray micro-/nanodiffraction data

XtalCAMP is a software package based on the MATLAB platform, which is suitable for, but not limited to, the analysis and visualization of scanning Laue X-ray micro-/nanodiffraction data. The main objective of the software is to provide complementary functionalities to the Laue indexing software packages used at several synchrotron beamlines. Here, the graphical user interfaces allow the easy analysis of characteristic microstructure features, including real-time intensity mapping for a quick examination of phase, grain and defect distribution, 2D color-coded mapping of microstructural properties from the output of other Laue indexing software, crystal orientation visualization, grain boundary characterization based on orientation/misorientation calculation, principal strain/stress analysis, and strain ellipsoid representation, as well as a series of additional toolkits. As an example, XtalCAMP is applied to the microstructural investigation of a solution-heat-treated Ni-based superalloy manufactured using a laser 3D-printing technique, and a deformed natural quartzite from Val Bregaglia in the Central Alps.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Cas3-Mediated Genome Reduction: Demonstration in Cupriavidus Necator H16 Improves Growth on Heterotrophic and Autotrophic Carbon Sources

Genome reduction is widely used to improve microbial bioprocessing hosts by reducing the burden of inessential physiology. Rationally identifying genomic regions that are dispensable or even detrimental to bioprocessing is challenged by our inability to map genome sequence to function across complex regulation and physiology. Thus, there is a need for tools that rapidly generate reduced genome strains with improved performance in process-relevant conditions. Here, we report a Cascade-Cas3-enabled method called TRIM3 that generates large deletions by targeting a randomly integrated transposon, enabling facile generation of a genome-reduced mutant library. Mutants with improved performance were isolated following growth-coupled selection and analyzed by long-read DNA sequencing to identify deletions in their genomes. We deploy this system iteratively in the industrial host Cupriavidus necator H16 on fructose and on formate. After two rounds of TRIM3, we isolate a strain containing a total reduction of 1.4 Mb (18.4% of the genome) that grows 25% faster in a bioreactor on fructose and a strain with a total reduction of 0.5 Mb (7.3% of the genome) that grows 14% faster on formate. This work demonstrates a method for random, iterative, growth-selectable genome reduction that represents a new avenue for large-scale genome modifications and the development of improved bioprocessing hosts.

09 BIOMASS FUELS↗
DOE OSTI2025

Investigating the Effect of Water on the Mechanical Properties of Cellulose from Multiscale Molecular Dynamics Simulations

Classical molecular dynamics (MD) simulations provide insight into the structure and physicochemical properties of materials with atomic resolution. However, the length and time scales accessible to atomistic MD are orders of magnitude smaller than many relevant processes such as the response of a bulk material to experimentally accessible strain rates, which presents challenges when comparing models to experimental measurements. Bottom-up coarse-graining provides a means for systematically mapping atomistic information to lower resolution models to increase the length and time scales achievable by simulation. Cellulose is an abundant carbohydrate biopolymer with applications to many fields of research, such as materials science and renewable energy, due to its desirable mechanical properties and viability for conversion into biofuel. The effect of moisture content on the Young's modulus of cellulose is of special interest due to its native environment often being in the hydrated secondary plant cell wall and the grinding energy requirements for biomass feedstock preprocessing. The current work investigates the effects of water solvent on the Young's modulus of cellulose calculated from coarse-grained MD mechanical stress simulations. The coarse-grained model was parametrized from atomistic MD calculations of cellulose-cellulose potentials of mean force using umbrella sampling techniques under vacuum and solvated conditions. The Young's moduli of the coarse-grained cellulose assemblies parametrized from cellulose in vacuum or solvated in water were computed via mechanical stress simulations to highlight the importance of capturing solvent interactions for modeling the mechanical behavior of cellulose.

BASIC BIOLOGICAL SCIENCES,RADIATION PROTECTION AND↗
NASA NTRS1986

Archean metamorphic sequence and surfaces, Kangerdlugssuaq Fjord, East Greenland

The characteristics of Archean metamorphic surfaces and fabrics of a mapped sequence of rocks older than about 3000 Ma provide information basic to an understanding of the structural evolution and metamorphic history in Kangerdlugssuaq Fjord, east Greenland. This information and the additional results of petrologic and geochemical studies have culminated in an extended chronology of Archean plutonic, metamorphic, and tectonic events. The basis for the chronology is considered, especially the nature of the metamorphic fabrics and surfaces in the Archean sequence. The surfaces, which are planar mineral parageneses, may prove to be mappable outside Kangerdlugssuaq Fjord, and if so, will be helpful in extending the events that they represent to other Archean sequences in east Greenland. The surfaces will become especially important reference planes if the absolute ages of their metamorphic assemblages can be determined in at least one location where strain was low subsequent to their recrystallization. Once an isochron is obtained, the dynamothermal age of the regionally identifiable metamorphic surface is determined everywhere it can be mapped.

Kays, M. A.↗
DOE OSTI2024

Efficient mapping between void shapes and stress fields using Deep Convolutional Neural Networks with sparse data

Establishing fast and accurate structure-to-property relationships is an important component in the design and discovery of advanced materials. Physics-based simulation models like the finite element method (FEM) are often used to predict deformation, stress, and strain fields as a function of material microstructure in material and structural systems. Such models may be computationally expensive and time intensive if the underlying physics of the system is complex. This limits their application to solve inverse design problems and identify structures that maximize performance. In such scenarios, surrogate models are employed to make the forward mapping computationally efficient to evaluate. However, the high dimensionality of the input microstructure and the output field of interest often renders such surrogate models inefficient, especially when dealing with sparse data. Deep convolutional neural network (CNN) based surrogate models have shown great promise in handling such high-dimensional problems. In this paper, a single ellipsoidal void structure under a uniaxial tensile load represented by a linear elastic, high-dimensional and expensive-to-query, FEM model. We consider two deep CNN architectures, a modified convolutional autoencoder framework with a fully connected bottleneck and a UNet CNN, and compare their accuracy in predicting the von Mises stress field for any given input void shape in the FEM model. Additionally, a sensitivity analysis study is performed using the two approaches, where the variation in the prediction accuracy on unseen test data is studied through numerical experiments by varying the number of training samples from 20 to 100.

surrogate modeling; convolutional neural networks;↗
DOE OSTI2024

Stressful crystal histories recorded around melt inclusions in volcanic quartz

Abstract Magma ascent and eruption are driven by a set of internally and externally generated stresses that act upon the magma. We present microstructural maps around melt inclusions in quartz crystals from six large rhyolitic eruptions using synchrotron Laue X-ray microdiffraction to quantify elastic residual strain and stress. We measure plastic strain using average diffraction peak width and lattice misorientation, highlighting dislocations and subgrain boundaries. Quartz crystals across studied magma systems preserve similar and relatively small magnitudes of elastic residual stress (mean 53–135 MPa, median 46–116 MPa) in comparison to the strength of quartz (~ 10 GPa). However, the distribution of strain in the lattice around inclusions varies between samples. We hypothesize that dislocation and twin systems may be established during compaction of crystal-rich magma, which affects the magnitude and distribution of preserved elastic strains. Given the lack of stress-free haloes around faceted inclusions, we conclude that most residual strain and stress was imparted after inclusion faceting. Fragmentation may be one of the final strain events that superimposes stresses of ~ 100 MPa across all studied crystals. Overall, volcanic quartz crystals preserve complex, overprinted deformation textures indicating that quartz crystals have prolonged deformation histories throughout storage, fragmentation, and eruption.

58 GEOSCIENCES↗
DOE OSTI2020

Eulerian thermo-mechanical simulations of heterogeneous solid propellants using an approximate projection method

We present a mathematical model that describes thermo-mechanical deformations and thermal gradients on the unsteady burning of a heterogeneous solid propellant. A scaling study shows that the deformations in solid at combustion timescales can be treated as quasi-static. The resulting thermo-mechanical formulation is formulated on a Cartesian grid and makes use of a weak form of Chorin-type projection method to deal with large difference in shear modulus of constituent materials. Further, a one-dimensional verification study is carried out by comparing numerical simulations with those of an analytical model. In addition, convergence studies for a two-dimensional propellant sandwich configuration are presented for the stress, velocity, and reference map components. Finally, simulations are carried out for a two-dimensional random propellant pack and the time-averaged burn rate and strains are reported.

42 ENGINEERING↗
DOE OSTI2021

Investigating Fracture Network Deformation Using Noble Gas Release

We investigate deformation mechanics of fracture networks in unsaturated fractured rocks from subsurface conventional detonation using dynamic noble gas measurements and changes in air permeability. We dynamically measured the noble gas isotopic composition and helium exhalation of downhole gas before and after a large subsurface conventional detonation. These noble gas measurements were combined with measurements of the subsurface permeability field from 64 discrete sampling intervals before and after the detonation and subsurface mapping of fractures in borehole walls before well completion. We saw no observable increase in radiogenic noble gas release from either an isotopic composition or a helium exhalation point of view. Large increases in permeability were observed in 13 of 64 discrete sampling intervals. Of the sampling intervals which saw large increases in flow, only two locations did not have preexisting fractures mapped at the site. Given the lack of noble gas release and a clear increase in permeability, we infer that most of the strain accommodation of the fractured media occurred along previously existing fractures, rather than the creation of new fractures, even for a high strain rate event. These results have significant implications for how we conceptualize the deformation of rocks with fracture networks above the percolation threshold, with application to a variety of geologic and geological engineering problems.

Gardner, W. Payton↗
NASA NTRS2022

Atomic-Scale Structure and Non-Stoichiometry of Meteoritic Hibonite: A Transmission Electron Microscope Study

Hibonite (CaAl_12O_19) is a common refractory mineral in Ca-Al-rich inclusions (CAIs) in primitive meteorites. Transmission electron microscope (TEM) studies have identified enigmatic planar defects in different occurrences of hibonite in the Allende meteorite that give rise to strong streaking along c* in electron diffraction patterns. Atomic resolution high-angle annular dark-field (HAADF) imaging and energy-dispersive X-ray (EDX) analyses were used to determine the nature and origin of these planar features. HAADF images of hibonite grains reveal lamellar intergrowths of common 1.6 nm spacing, and less commonly 2.0 and 2.5 nm spacings, interspersed in stoichiometric hibonite showing 1.1 nm (002) spacing. Stoichiometric hibonite consists of alternating Ca-containing (“R”) and spinel-structured (“S”) blocks stacked in a sequence RS. In contrast, the 1.6 nm layers result from a doubled S block such that the stacking sequence is RSS, while in the widest defect observed, the stacking sequence is RSSSS. These intergrowths are epitaxial and have coherent, low-strain boundaries with the host hibonite Meteoritic hibonite shows common Ti and Mg substitution for Al in its structure. Atomic-resolution EDX maps of hibonite grains in the Allende CAI confirm the preferred site occupancy of Mg on tetragonal M3 sites in S blocks and of Ti on trigonal bipyramidal M2 and octahedral M4 sites in R blocks. Mg is highly concentrated, but Ti is absent in the planar defects where wider S blocks show Al-rich compositions compared to stoichiometric MgAl_2O_4 spinel. Therefore, Mg likely played the major role in the formation and metastability of planar defects in hibonite. Electron energy loss spectroscopy data from the Ti L_2,3 edge show the presence of mixed Ti oxidation states with ~ 15–20% of Ti as Ti^(3+) in hibonite, suggesting a direct substitution of Ti^(3+) ↔ Al^(3+) in hibonite. The remaining ~ 80–85% of Ti is present as Ti^(4+) and corresponding EDX analyses are consistent with the well-known coupled substitution 2Al^(3+) ↔ Ti^(4+) + Mg^(2+) being the major mechanism for Ti and Mg substitution in hibonite. The formation of planar defects in hibonite occurred during high-temperature nebular condensation or melting/crystallization processes. The occurrence of non-stoichiometric hibonite in the Allende CAI deviates from the mineral formation sequence predicted from equilibrium condensation models. Overall, our atomic resolution TEM observations signify non-equilibrium, kinetic-controlled crystal growth during the high-temperature formation of refractory solids in the early solar nebula.

hibonite↗
DOE OSTI2024

Structure and antigenicity of the divergent human astrovirus VA1 capsid spike

Human astrovirus (HAstV) is a known cause of viral gastroenteritis in children worldwide, but HAstV can cause also severe and systemic infections in immunocompromised patients. There are three clades of HAstV: classical, MLB, and VA/HMO. While all three clades are found in gastrointestinal samples, HAstV-VA/HMO is the main clade associated with meningitis and encephalitis in immunocompromised patients. To understand how the HAstV-VA/HMO can infect the central nervous system, we investigated its sequence-divergent capsid spike, which functions in cell attachment and may influence viral tropism. Here we report the high-resolution crystal structures of the HAstV-VA1 capsid spike from strains isolated from patients with gastrointestinal and neuronal disease. The HAstV-VA1 spike forms a dimer and shares a core beta-barrel structure with other astrovirus capsid spikes but is otherwise strikingly different, suggesting that HAstV-VA1 may utilize a different cell receptor, and an infection competition assay supports this hypothesis. Furthermore, by mapping the capsid protease cleavage site onto the structure, the maturation and assembly of the HAstV-VA1 capsid is revealed. Finally, comparison of gastrointestinal and neuronal HAstV-VA1 sequences, structures, and antigenicity suggests that neuronal HAstV-VA1 strains may have acquired immune escape mutations. Overall, our studies on the HAstV-VA1 capsid spike lay a foundation to further investigate the biology of HAstV-VA/HMO and to develop vaccines and therapeutics targeting it.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1992

Experimental investigations into composite fuselage impact damage resistance and post-impact compression behavior

Impact damage resistance and residual strength of laminated composite transport aircraft fuselage structure was studied experimentally. Techniques to quantify impact damage discretely and non-discretely are described. Experimental techniques to three-dimensionally map matrix damage and determine the sublaminate structure are illustrated. Impact damage was also quantified non-discretely, using characteristics of flexural wave propagation. Strain distributions in compressively loaded impact damaged laminates were experimentally measured.

Dost, E. F.↗
NASA NTRS1998

Flow/Damage Surfaces for Fiber-Reinforced Metals Having Different Periodic Microstructures

Flow/damage surfaces can be defined in terms of stress, inelastic strain rate, and internal variables using a thermodynamics framework. A macroscale definition relevant to thermodynamics and usable in an experimental program is employed to map out surfaces of constant inelastic power in various stress planes. The inelastic flow of a model silicon carbide/ titanium composite system having rectangular, hexagonal, and square diagonal fiber packing arrays subjected to biaxial stresses is quantified by flow/damage surfaces that are determined numerically from micromechanics, using both finite element analysis and the generalized method of cells. Residual stresses from processing are explicitly included and damage in the form of fiber-matrix debonding under transverse tensile and/or shear loading is represented by a simple interface model. The influence of microstructural architecture is largest whenever fiber-matrix debonding is not an issue; for example in the presence of transverse compressive stresses. Additionally, as the fiber volume fraction increases, so does the effect of microstructural architecture. With regard to the micromechanics analysis, the overall inelastic flow predicted by the generalized method of cells is in excellent agreement with that predicted using a large number of displacement-based finite elements.

Lissenden, Cliff J.↗