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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Compression-Loaded Composite Panels With Elastic Edge Restraints and Initial Prestress

A parametric study of the effects of test-fixture-induced initial prestress and elastic edge restraints on the prebuckling and buckling responses of a compression-loaded, quasi-isotropic curved panel is presented. The numerical results were obtained by using a geometrically nonlinear finite element analysis code with high-fidelity models. The results presented show that a wide range of prebuckling and buckling behavior can be obtained by varying parameters that represent circumferential loaded-edge restraint and rotational unloaded-edge restraint provided by a test fixture and that represent the mismatch in specimen and test-fixture radii of curvature. For a certain range of parameters, the panels exhibit substantial nonlinear prebuckling deformations that yield buckling loads nearly twice the corresponding buckling load predicted by a traditional linear bifurcation buckling analysis for shallow curved panels. In contrast, the results show another range of parameters exist for which the nonlinear prebuckling deformations either do not exist or are relatively benign, and the panels exhibit buckling loads that are nearly equal to the corresponding linear bifurcation buckling load. Overall, the results should be of particular interest to scientists, engineers, and designers involved in simulating flight-hardware boundary conditions in structural verification and certification tests, involved in validating structural analysis tools, and interested in tailoring buckling performance.

Hilburger, Mark W.↗
DOE OSTI2021

Situating the Vector Density Approach Among Contemporary Continuum Theories of Dislocation Dynamics

Abstract For the past century, dislocations have been understood to be the carriers of plastic deformation in crystalline solids. However, their collective behavior is still poorly understood. Progress in understanding the collective behavior of dislocations has primarily come in one of two modes: the simulation of systems of interacting discrete dislocations and the treatment of density measures of varying complexity that are considered as continuum fields. A summary of contemporary models of continuum dislocation dynamics is presented. These include, in order of complexity, the two-dimensional statistical theory of dislocations, the field dislocation mechanics treating the total Kröner–Nye tensor, vector density approaches that treat geometrically necessary dislocations on each slip system of a crystal, and high-order theories that examine the effect of dislocation curvature and distribution over orientation. Each of theories contain common themes, including statistical closure of the kinetic dislocation transport equations and treatment of dislocation reactions such as junction formation. An emphasis is placed on how these common themes rely on closure relations obtained by analysis of discrete dislocation dynamics experiments. The outlook of these various continuum theories of dislocation motion is then discussed.

Engineering↗
DOE OSTI2023

Optimization-Based Azeotropic Distillation System Synthesis Using Geometric Insights

The synthesis of azeotropic distillation systems is challenging due to the existence of compartments in the residue curve map coupled with the combinatorial aspects from numerous possible system configurations. In this work, an optimization-based approach is introduced to synthesize homogeneous azeotropic distillation systems. The approach employs a network-based representation generated via a matrix method. To design the distillation columns, the modified Underwood equations are adopted, in which pseudocomponent-based compositions are used. For cases where separatrices are significantly curved, corrections via piece-wise linear functions and collinearity properties are implemented. Two examples are presented to illustrate the proposed approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Effects of Elastic Edge Restraints and Initial Prestress on the Buckling Response of Compression-Loaded Composite Panels

A parametric study of the effects of test-fixture-induced initial prestress and elastic edge restraints on the prebuckling and buckling responses of a compression-loaded, quasi-isotropic curved panel is presented. The numerical results were obtained by using a geometrically nonlinear finite element analysis code with high-fidelity models. The results presented show that a wide range of prebuckling and buckling behavior can be obtained by varying parameters that represent circumferential loaded-edge restraint and rotational unloaded-edge restraint provided by a test fixture and that represent the mismatch in specimen and test-fixture radii of curvature. For a certain range of parameters, the panels exhibit substantial nonlinear prebuckling deformations that yield buckling loads nearly twice the corresponding buckling load predicted by a traditional linear bifurcation buckling analysis for shallow curved panels. In contrast, the results show another range of parameters exist for which the nonlinear prebuckling deformations either do not exist or are relatively benign, and the panels exhibit buckling loads that are nearly equal to the corresponding linear bifurcation buckling load. Overall, the results should also be of particular interest to scientists, engineers, and designers involved in simulating flight-hardware boundary conditions in structural verification and certification tests, involved in validating structural analysis tools, and interested in tailoring buckling performance.

Hilburger, Mark W.↗
NASA NTRS2007

Extended-Range Ultrarefractive 1D Photonic Crystal Prisms

A proposal has been made to exploit the special wavelength-dispersive characteristics of devices of the type described in One-Dimensional Photonic Crystal Superprisms (NPO-30232) NASA Tech Briefs, Vol. 29, No. 4 (April 2005), page 10a. A photonic crystal is an optical component that has a periodic structure comprising two dielectric materials with high dielectric contrast (e.g., a semiconductor and air), with geometrical feature sizes comparable to or smaller than light wavelengths of interest. Experimental superprisms have been realized as photonic crystals having three-dimensional (3D) structures comprising regions of amorphous Si alternating with regions of SiO2, fabricated in a complex process that included sputtering. A photonic crystal of the type to be exploited according to the present proposal is said to be one-dimensional (1D) because its contrasting dielectric materials would be stacked in parallel planar layers; in other words, there would be spatial periodicity in one dimension only. The processes of designing and fabricating 1D photonic crystal superprisms would be simpler and, hence, would cost less than do those for 3D photonic crystal superprisms. As in 3D structures, 1D photonic crystals may be used in applications such as wavelength-division multiplexing. In the extended-range configuration, it is also suitable for spectrometry applications. As an engineered structure or artificially engineered material, a photonic crystal can exhibit optical properties not commonly found in natural substances. Prior research had revealed several classes of photonic crystal structures for which the propagation of electromagnetic radiation is forbidden in certain frequency ranges, denoted photonic bandgaps. It had also been found that in narrow frequency bands just outside the photonic bandgaps, the angular wavelength dispersion of electromagnetic waves propagating in photonic crystal superprisms is much stronger than is the angular wavelength dispersion obtained by use of conventional prisms and diffraction gratings and is highly nonlinear.

Ting, David Z.↗
DOE OSTI2022

Optimizing Piezoelectric Nanocomposites by High‐Throughput Phase‐Field Simulation and Machine Learning

Abstract Piezoelectric nanocomposites with oxide fillers in a polymer matrix combine the merit of high piezoelectric response of the oxides and flexibility as well as biocompatibility of the polymers. Understanding the role of the choice of materials and the filler‐matrix architecture is critical to achieving desired functionality of a composite towards applications in flexible electronics and energy harvest devices. Herein, a high‐throughput phase‐field simulation is conducted to systematically reveal the influence of morphology and spatial orientation of an oxide filler on the piezoelectric, mechanical, and dielectric properties of the piezoelectric nanocomposites. It is discovered that with a constant filler volume fraction, a composite composed of vertical pillars exhibits superior piezoelectric response and electromechanical coupling coefficient as compared to the other geometric configurations. An analytical regression is established from a linear regression‐based machine learning model, which can be employed to predict the performance of nanocomposites filled with oxides with a given set of piezoelectric coefficient, dielectric permittivity, and stiffness. This work not only sheds light on the fundamental mechanism of piezoelectric nanocomposites, but also offers a promising material design strategy for developing high‐performance polymer/inorganic oxide composite‐based wearable electronics.

42 ENGINEERING↗
DOE OSTI2025

Aerial and Processed Model Data Representing As-built Conditions in Coastal Port Arthur, Texas in May 2025

This dataset was collected by the Co-Design Team of the Southeast Texas Urban Integrated Field Lab, a research initiative led by the University of Texas at Austin and funded by the U.S. Department of Energy. The broader project focuses on developing climate-resilient design solutions for the Beaumont–Port Arthur region, with more information available at www.setx-uifl.org. Our team conducted aerial surveys of the Port Arthur coastal neighborhood in May 2025, before the start of construction scheduled for Summer 2026. These pre-construction datasets are designed to facilitate comparative analyses, including pre- and post-construction assessments and simulated inundation scenario evaluations. Aerial images were captured using DroneDeploy autonomous flight systems, with imagery processed through the DroneDeploy engine. All original aerial photographs are provided in JPG format and organized in zipped folders by area. The processed data package includes: 3D surface models Orthomosaics Geospatial and topographic mappings Point clouds For guidance on file contents, structure, and recommended usage, please refer to the included README file.

2D mapping↗
DOE OSTI2020

Mechanical behavior and texture evolution of WE43 magnesium-rare earth alloy in Split-Hopkinson Pressure Bar and Taylor Impact Cylinder Testing

Mechanical behavior and texture evolution of Mg rare-earth alloy WE43 is investigated for strain-rates 10 -3 /s to upwards of 10 5 /s for the two material conditions - as-cast (AC) and T6 age hardened, rolled plate (RT6). The high strain-rate behavior is tested using both Taylor cylinder impact tests (TC) and split Hopkinson pressure bar tests (SHB) and bulk textures are obtained using neutron diffraction. Unlike the quasi-static strained material, AC and RT6 SHB retained high hardening rates throughout the test, even up to 30% true strain. Moreover, the high strain-rate data revealed that the RT6 material has a much higher strength than the AC material, but similar hardening rates despite significantly different initial texture. The flow stress near yield increased up to I 0% for RT6 and up to 30% for AC as the strain-rate increased six orders of magnitude from quasi-static rates 10 -3 /s to 10 3 /s. Neither material exhibited significant plastic anisotropy over the broad range of strain rates, despite the fact that the RT6 material had a moderately strong initial texture. In the TC tests, the geometric cross-sectional changes and texture along the cylinder from the cylindrical sample foot to head are measured and from the neutron diffraction texture analysis, upper-bound estimates of twin volume fraction are obtained as well as dislocation density from analyzing diffraction peak broadening. Recorded geometrical changes along several loading directions show that the material has deformed remarkably homogeneously under impact. Analysis of deformed textures indicates that {101¯2} extension deformation twinning occurred in the RT6 condition over the range of strain rates, with an upper bound estimate of 40% twin volume fraction for approximately 0.10-0.25 true strain. The peak texture components after the impact have their c-axes closely aligned with the impact direction. As a result, these observations are presented and rationalized in the paper.

42 ENGINEERING↗
NASA NTRSDate not supplied

Design and Optimization of a 3-Stage Axial Supercritical CO2 Compressor

This paper presents the detailed design and optimization of a three-stage axial supercritical carbon dioxide (sCO2) compressor to support the advancement of sCO 2 power cycles, recognized for their efficiency and compactness in energy conversion. The three-stage design is a scaled model of the original nine-stage 100 MW design. The aerodynamic design and structural analysis were performed at the University of Cincinnati, and the results are presented. The first stage of the design has been meticulously manufactured and experimentally tested at University of Notre Dame Turbomachinery Laboratory. The design process starts with the preliminary design process, considering the required operating boundary conditions and geometrical constraints for full stage design. The design is then scaled down to 3-stage based on the power limitation. The definition for design parameters has been inspired from the EEE HPC design and tweaked to fit the sCO 2 operation. Axisymmetric analysis is performed next and the parametric geometry modeler -Tblade3 has been used to create 3D blade geometry from the results which can then be exported for the 3D CFD analysis and optimization. An efficiency of 89.85% is predicted for the final design at the design point.

Compressor↗
DOE OSTI2021

A machine learning-based interaction force model for non-spherical and irregular particles in low Reynolds number incompressible flows

In this study, interaction force of non-spherical particles in low Reynolds number gas-solid flow is investigated by neural network approaches. An artificial neural network (ANN) model is developed to correlate the non-spherical particle shape and the flow conditions with the interaction force. To define the particle shape, spherical harmonic expansion is applied. Furthermore, variational autoencoder model is then used to extract latent geometric features. The latent vector is utilized as an input with the Reynolds number for the ANN. The interaction force data, which is used as output data of the ANN, is obtained by particle resolved direct numerical simulation for 5200 non-spherical particles. The proposed model enables unsupervised extraction for non-spherical particle shapes and accurate predictions on the interaction force without heavy computation. This study provides the model that can explain complicated shapes of particles and be applied to a large scale, computational fluid dynamics simulation.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Fourier method for 3-dimensional data fusion of X-ray Computed Tomography and ultrasound

X-ray Computed Tomography (CT) is essential for nondestructive inspection of many manufactured components but is susceptible to various forms of artifacts and noise. In particular, multi-detector row cone-beam CT systems can suffer from so called “cone-beam” artifacts and partial volume effects, particularly on planar edges at the periphery of the field of view in the cone angle dimension. Uni-directional ultrasonic testing methods generally have extremely accurate in-plane depth resolution but poorer lateral resolution due to physical and geometric constraints. This paper presents a novel technique called Computed Tomographic Fusion (CT-F) which uses three-dimensional Fourier filtering to combine x-ray cone-beam CT reconstructions and ultrasound data in the frequency space. The result is a single image with improved accuracy and quality. CT-F mitigates artifacts while allowing for rapid, accurate characterization of large three-dimensional CT volumes. Finally, using simulations and experiments, we demonstrate artifact reduction and edge contrast improvement in volumetric reconstructions.

42 ENGINEERING↗
DOE OSTI2023

Toward accurate prediction of partial-penetration laser weld performance informed by three-dimensional characterization – Part II: μCT based finite element simulations

The mechanical behavior of partial-penetration laser welds exhibits significant variability in engineering quantities such as strength and apparent ductility. Understanding the root cause of this variability is important when using such welds in engineering designs. In Part II of this work, we develop finite element simulations with geometry derived from micro-computed tomography (μCT) scans of partial-penetration 304L stainless steel laser welds that were analyzed in Part I. We use these models to study the effects of the welds’ small-scale geometry, including porosity and weld depth variability, on the structural performance metrics of weld ductility and strength under quasi-static tensile loading. We show that this small-scale geometry is the primary cause of the observed variability for these mechanical response quantities. Additionally, we explore the sensitivity of model results to the conversion of the μCT data to discretized model geometry using different segmentation algorithms, and to the effect of small-scale geometry simplifications for pore shape and weld root texture. The modeling approach outlined and results of this work may be applicable to other material systems with small-scale geometric features and defects, such as additively manufactured materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Massively scalable workflows for quantum chemistry: BigChem and ChemCloud

Electronic structure theory, i.e., quantum chemistry, is the fundamental building block for many problems in computational chemistry. Here we present a new distributed computing framework (BigChem), which allows for an efficient solution of many quantum chemistry problems in parallel. BigChem is designed to be easily composable and leverages industry-standard middleware (e.g., Celery, RabbitMQ, and Redis) for distributed approaches to large scale problems. BigChem can harness any collection of worker nodes, including ones on cloud providers (such as AWS or Azure), local clusters, or supercomputer centers (and any mixture of these). BigChem builds upon MolSSI packages, such as QCEngine to standardize the operation of numerous computational chemistry programs, demonstrated here with Psi4, xtb, geomeTRIC, and TeraChem. BigChem delivers full utilization of compute resources at scale, offers a programable canvas for designing sophisticated quantum chemistry workflows, and is fault tolerant to node failures and network disruptions. We demonstrate linear scalability of BigChem running computational chemistry workloads on up to 125 GPUs. Finally, we present ChemCloud, a web API to BigChem and successor to TeraChem Cloud. ChemCloud delivers scalable and secure access to BigChem over the Internet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Void coalescence and ductile failure in IN718 investigated via high-energy synchrotron X-ray tomography and diffraction

Ductile failure through the growth and coalescence of voids is of particular relevance for many engineering materials. Yet, the lack of experimental measurements of the mechanical state of the material at an appropriate length scale has limited further understanding of the regime of ductile failure. In this study, local grain-scale experimental measurements are used to determine their relevance for describing and predicting ductile failure. Additive manufactured materials, due to the presence of inherent porosity, as well as the ability to tailor internal porosity, provides a promising avenue to study ductile failure. Selective laser melting is used to manufacture a specially designed specimen with two large, internal voids, in addition to the natural porosity, which is characteristic to the production process. The initial porosity and its evolution upon tensile loading are characterized via micro tomography. Several locations of void coalescence are captured in the sample, revealing activity of multiple modes of failure. Finite element simulations, with a simplified J2 plasticity model, instantiated with the initial void structure, is deployed, in which geometric localizations of stress concentration corresponded with experimentally observed sites of coalescence but was inadequate in capturing the appropriate failure mechanism. Furthermore, from the experimental results of the far-field high-energy diffraction microscopy, the heterogeneous micromechanical state is identified and tracked around voids due to the local grain interactions. These experiments determine narrow bands of low stress triaxiality, at the onset of failure, which highlight the path of coalescence through intervoid shearing. Diffraction spot spreading analysis aided characterization of intragranular plasticity and strain heterogeneity, which can be coupled with high triaxiality to form the conditions inducive for coalescence through intervoid necking. In this study, the experimentally determined grain-scale description of the micromechanical state provides a physical basis that can accurately capture both the sites and the mechanism of void coalescence at the onset of ductile failure.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Systems Modeling of a Hypothetical SSME Channel-Wall Nozzle

A future upgrade to the Space Shuttle Main Engine (SSME) may be the replacement of the current regenerative cooled tube-wall nozzle with a nozzle using a regeneratively-cooled channel-wall design. The current tube-wall design represents the only major piece of SSME hardware that has not been dramatically updated throughout thc long history of the engine. There are a number of advantages to a channel-wall design including the promise of faster and lower cost fabrication and greater reliability in the field. The technical obstacles in the path of making this happen are many, particularly in the realms of metallurgy and manufacturing techniques. However, one technical area that can and should be addressed in the near term as part of the development of detailed component requirements is a systems type model of the fluid flow and heat transfer processes to which the new design will be exposed. This paper presents the results of an effort to develop a mathematical model of the internal flow for a generic channel-wall nozzle functioning as a direct replacement for the current tube-wall nozzle with a minimum of systems-level changes. Comparisons will be made to mathematical modeling results for the current tube-wall design and the results of various geometrical trade studies will be presented. It is the intent of this work to examine the feasibility of the concept of a direct replacement component with minimum systems-!eve impacts and to highlight potential areas of concern requiring further work in the future.

Greene, William D.↗
DOE OSTI2021

Characterization of mechanical deformation in aluminum by optical second harmonic generation

Second harmonic generation (SHG), a laser-based surface technique, was used to characterize near-surface defect evolution associated with mechanical deformation in 2024-T3 aluminum due to tensile loads. Electron backscatter diffraction (EBSD) measurements were also performed to determine the geometrically necessary dislocation density before and after tensile deformation. Comparison of the EBSD and SHG results found that dislocation density and SHG signal are inversely proportional; tensile deformation in the plastic regime led to an increase in dislocation density and a decrease in SHG response. A similar trend was seen in the SHG results on as-received (unpolished) Al samples; SHG response decreases with extent of plastic deformation. Furthermore, this study suggests that SHG has potential as a nondestructive evaluation technique.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Conductive Spray Paint Fabricated Cylindrical Coplanar Waveguide for Noncontact Liquid-Level Sensing

A noncontact liquid-level sensor using a cylindrical coplanar waveguide (CCPW) is proposed. The concept is demonstrated using a prototype device made by directly spraying conductive paint on the outer surface of a glass cylinder. The position of the air–liquid interface is measured using the time-domain reflection (TDR) signal from the CCPW. The geometric parameters of the prototype sensor were optimized using a full-wave simulation tool. The experimental results show that the prototype CCPW-based liquid-level sensor has a resolution of 29.8μm over a range of 210 mm at the sweeping frequency bandwidth of 500 MHz–4 GHz. The tradeoff between the resolution and the measurement range was discussed. The proposed sensor provides a low-cost, easy-to-fabricate, and noncontact method for liquid-level measurement, which has potential applications in fuel storage, chemical production, and wastewater treatment.

42 ENGINEERING↗
NASA NTRS1990

Aerothermal environment induced by mismatch at the SSME main combustion chamber-nozzle joint

The computational study reported here is motivated by a Space Shuttle main engine hardware problem detected in post-flight and post-test inspections. Of interest are the potential for hot gas ingestion into the joint (G15) at the main combustion chamber-to-nozzle interface and the effect of particular goemetric nonuniformities on that gas ingestion. The flowfield in the G15 region involves supersonic flow past a rounded forward facing step preceded by a deep narrow cavity. This paper describes the physical problem associated with joint G15 and computational investigations of the G15 aerothermal environment. The associated flowfield was simulated in two and three space dimensions using the United Solutions Algorithm (USA) computational fluid dynamics code series. A benchmark calculation of experimentally measured supersonic flow over of a square cavity was performed to demonstrate the accuracy of the USA code in analyzing flows similar to the G15 computational flowfield. The G15 results demonstrate the mechanism for hot gas ingestion into the joint and reveal the sensitivity to salient geometric nonuniformities.

Mcconnaughey, H. V.↗