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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

An Eulerian crystal plasticity framework for modeling large anisotropic deformations in energetic materials under shocks

Here, this paper demonstrates a novel Eulerian computational framework for modeling anisotropic elastoplastic deformations of organic crystalline energetic materials (EM) under shocks. While Eulerian formulations are advantageous for handling large deformations, constitutive laws in such formulations have been limited to isotropic elastoplastic models, which may not fully capture the shock response of crystalline EM. The present Eulerian framework for high-strain rates, large deformation material dynamics of EM incorporates anisotropic isochoric elasticity via a hypo-elastic constitutive law and visco-plastic single-crystal models. The calculations are validated against atomistic calculations and experimental data and benchmarked against Lagrangian (finite element) crystal plasticity computations for shock-propagation in a monoclinic organic crystal, octahydro-1,3,5,7-tetranitro-1,3,5,7 tetrazocine (β-HMX). The Cauchy stress components and the resolved shear stresses calculated using the present Eulerian approach are shown to be in good agreement with the Lagrangian computations for different crystal orientations. The Eulerian framework is then used for computations of shock-induced inert void collapse in β-HMX to study the effects of crystal orientations on hotspot formation under different loading intensities. The computations show that the hotspot temperature distributions and the collapse profiles are sensitive to the crystal orientations at lower impact velocities (viz., 500 m/s); when the impact velocity is increased to 1000 m/s, the collapse is predominantly hydrodynamic and the role of anisotropy is modest. The present methodology will be useful to simulate energy localization in shocked porous energetic material microstructures and other situations where large deformations of single and polycrystals govern the thermomechanical response.

42 ENGINEERING↗
DOE OSTI2024

Elastic-plastic conductor damage evaluation at over 0.4% strain using a high-stress REBCO coil

Abstract Recent reports on screening current stress simulations of high-field REBCO magnets frequently present peak stresses over 1 GPa. However, this result is probably an unrealistic artifact of purely elastic calculations, considering the macroscopic yield and fracture stresses of approximately 900 MPa and less than 1.1 GPa for Hastelloy substrate-coated conductors. Here, we evaluate elastic-plastic conductor damage at over 0.4% strain using a high-stress REBCO coil exposed to a high field to explore this elastic-plastic regime. The coil was located off-center in a low-temperature superconductor magnet so as to induce a significant screening current in the enhanced radial field. Voltage taps, a Hall sensor, and two strain gauges were used for the instrumentation. We obtained strains exceeding 0.4% near the outward edge during the coil current charge from 350 A to 390 A, where the coil was exposed to external axial and radial magnetic fields of 13 T and 0.5 T. Post mortem results showed wavy plastic deformation, electrical damage, and REBCO defects. An elastic-plastic simulation reproduced the measured strains and predicted that ∼1 GPa stress is sufficient to induce ∼0.9% strain, thus validating our initial concerns with purely elastic models. This paper provides our experimental and simulation results.

Bang, Jeseok (ORCID:0000000247616334)↗
NASA NTRS2007

Mesh Deformation Based on Fully Stressed Design: The Method and Two-Dimensional Examples

Mesh deformation in response to redefined boundary geometry is a frequently encountered task in shape optimization and analysis of fluid-structure interaction. We propose a simple and concise method for deforming meshes defined with three-node triangular or four-node tetrahedral elements. The mesh deformation method is suitable for large boundary movement. The approach requires two consecutive linear elastic finite-element analyses of an isotropic continuum using a prescribed displacement at the mesh boundaries. The first analysis is performed with homogeneous elastic property and the second with inhomogeneous elastic property. The fully stressed design is employed with a vanishing Poisson s ratio and a proposed form of equivalent strain (modified Tresca equivalent strain) to calculate, from the strain result of the first analysis, the element-specific Young s modulus for the second analysis. The theoretical aspect of the proposed method, its convenient numerical implementation using a typical linear elastic finite-element code in conjunction with very minor extra coding for data processing, and results for examples of large deformation of two-dimensional meshes are presented in this paper. KEY WORDS: Mesh deformation, shape optimization, fluid-structure interaction, fully stressed design, finite-element analysis, linear elasticity, strain failure, equivalent strain, Tresca failure criterion

Hsu, Su-Yuen↗
NASA NTRS2016

Towards an Aero-Propulso-Servo-Elasticity Analysis of a Commercial Supersonic Transport

This paper covers the development of an aero-propulso-servo-elastic (APSE) model using computational fluid dynamics (CFD) and linear structural deformations. The APSE model provides the integration of the following two previously developed nonlinear dynamic simulations: a variable cycle turbofan engine and an elastic supersonic commercial transport vehicle. The primary focus of this study is to provide a means to include relevant dynamics of a turbomachinery propulsion system into the aeroelastic studies conducted during a vehicle design, which have historically neglected propulsion effects. A high fidelity CFD tool is used here for the integration platform. The elastic vehicle neglecting the propulsion system serves as a comparison of traditional approaches to the APSE results. An overview of the methodology is presented for integrating the propulsion system and elastic vehicle. Static aeroelastic analysis comparisons between the traditional and developed APSE models for a wing tip detection indicate that the propulsion system impact on the vehicle elastic response could increase the detection by approximately ten percent.

aeroservoelasticity↗
DOE OSTI2022

Mapping of the mechanical response in Si/SiGe nanosheet device geometries

Abstract The performance of next-generation, nanoelectronic devices relies on a precise understanding of strain within the constituent materials. However, the increased flexibility inherent to these three-dimensional device geometries necessitates direct measurement of their deformation. Here we report synchrotron x-ray diffraction-based non-destructive nanoscale mapping of Si/SiGe nanosheets for gate-all-around structures. We identified two competing mechanisms at different length scales contributing to the deformation. One is consistent with the in-plane elastic relaxation due to the Ge lattice mismatch with the surrounding Si. The second is associated with the out-of-plane layering of the Si and SiGe regions at a length scale of film thickness. Complementary mechanical modeling corroborated the qualitative aspects of the deformation profiles observed across a variety of nanosheet sample widths. However, greater deformation is observed in the SiGe layers of the nanosheets than the predicted distributions. These insights could play a role in predicting carrier mobilities of future devices.

Murray, Conal E. (ORCID:0000000199014290)↗
DOE OSTI2024

Phase-Field Model Incorporating Large Inelastic Strain with Application to the Oxidation of High-Temperature Coating Systems

Structural metallic and ceramic materials at high temperatures often suffer from creep, fatigue and oxidation, which typically involves local large inelastic strain. The large strain is usually approached by Lagrangian-description-based finite deformation theory. Here we develop an efficient, Eulerian-description-based, Incremental Realization of Inelastic Deformation (IRID) algorithm to deal with large inelastic strain with small elastic strain. We apply this algorithm to simulate high temperature oxidation with severe volume expansion using a phase-field approach. The oxidation and deformation of bond coat can lead to spallation and failure of the thermal barrier coatings (TBC) and environmental barrier coatings (EBC), which is a critical concern in design of these coatings. We simulate the growth of thermally grown oxide (TGO) in these coating systems, with phase transformations and microstructure evolution incorporated. The simulation results are compared with relevant experimental reports in the literature.

Cheng, Tianle↗
DOE OSTI2026

Chemo-Mechanics of α-V 2 O 5 During Lithiation and Implications for Rechargeable Battery Cathodes

Chemo-mechanical degradation of layered oxide electrodes is strongly influenced by crystallographic anisotropy, local stress evolution, and ion insertion, yet the intrinsic mechanical response of layered materials remains incompletely understood. Indeed, most prior studies have focused on polycrystalline materials but single crystals enable direct observation of coupling between anisotropic ion diffusion and mechanical response. This study aims to determine how crystallographic anisotropy and lithiation affect deformation, fracture, and mechanical properties in single-crystal V 2 O 5 , and compares this behavior with polycrystalline counterparts. Polycrystalline V 2 O 5 thin films and single-crystal α-V 2 O 5 were studied using nanoindentation, scanning electron microscopy, focused ion beam cross-sectioning, and Raman spectroscopy. Single crystals were tested in pristine and chemically lithiated states, including experiments in which crystals were first plastically deformed via nanoindentation and subsequently lithiated. Polycrystalline films exhibited significantly higher hardness and elastic modulus than single crystals. Single crystals indented normal to the exposed (001) basal plane exhibited pronounced anisotropic deformation, including directional slip, crystallographically-guided cracking, anisotropic crack propagation, interlayer separation, and shear localization. Lithiation caused substantial softening, reduced hardness and modulus, and suppressed displacement bursts during nanoindentation, while previously indented regions showed crack formation and growth upon lithiation. Mechanical behavior of α-V 2 O 5 is strongly governed by crystallographic anisotropy and further altered by lithiation, with pre-existing deformation serving as a strong driver of fracture during ion insertion. These findings illuminate the coupling among ion insertion, deformation, and fracture in layered oxides and provide a basis for understanding and mitigating mechanical failure in electrochemical energy-storage materials.

Anisotropy↗
NASA NTRS1984

Biaxial load effects in the mechanics of fracture

Experimental findings on the effects of biaxial loading on fracture toughness, non-self-similar growth problems, fatigue crack propagation, and subcritical growth properties are reviewed, together with the fundamental analytical solutions for problems of crack in an elastic solid under biaxial loading. Basic asymptotic field representations, and some stress-intensity factor solutions are presented. The effects of biaxial loading on problems involving plastic deformation are illustrated with recent numerical results. Early asymptotic solutions for a nonlinear elastic solid are discussed with emphasis on the solution of problems with significant plastic deformation, and on stable crack growth. A brief survey of the applications literature, and recommendations for future studies are included.

Moyer, E. T., Jr.↗
NASA NTRS1990

Application of the operator spline technique to nonlinear estimation and control of moving elastic systems

A bilinear model of the vibrational dynamics of a deformable maneuvering body is described. Estimates of the deformation state are generated through a low dimensional operator spline interpolator of bilinear systems combined with a feedback linearized based observer. Upper bounds on error estimates are also generated through the operator spline, and potential application to shaping control purposes is highlighted.

Karray, Fakhreddine↗
NASA NTRS1986

Stresses and deformations in composite tubes due to a circumferential temperature gradient

A linear elasticity solution for determining the response of composite tubes subjected to a circumferential temperature gradient is presented. Numerical examples are used to show that, in a single layer tube, fiber orientation strongly influences response. When the fibers are aligned axially, all stress components in the tube are small. When the fibers are aligned circumferentially, the hoop stress becomes large. This difference in behavior is due to the large difference between the radial and circumferential coefficients of thermal expansion when the fibers are oriented circumferentially. In multilayer tubes, stresses are quite high and just two constants characterize the overall bending and axial deformations of the tubes.

Hyer, M. W.↗
NASA NTRS1997

ZIP2DL: An Elastic-Plastic, Large-Rotation Finite-Element Stress Analysis and Crack-Growth Simulation Program

ZIP2DL is a two-dimensional, elastic-plastic finte element program for stress analysis and crack growth simulations, developed for the NASA Langley Research Center. It has many of the salient features of the ZIP2D program. For example, ZIP2DL contains five material models (linearly elastic, elastic-perfectly plastic, power-law hardening, linear hardening, and multi-linear hardening models), and it can simulate mixed-mode crack growth for prescribed crack growth paths under plane stress, plane strain and mixed state of stress conditions. Further, as an extension of ZIP2D, it also includes a number of new capabilities. The large-deformation kinematics in ZIP2DL will allow it to handle elastic problems with large strains and large rotations, and elastic-plastic problems with small strains and large rotations. Loading conditions in terms of surface traction, concentrated load, and nodal displacement can be applied with a default linear time dependence or they can be programmed according to a user-defined time dependence through a user subroutine. The restart capability of ZIP2DL will make it possible to stop the execution of the program at any time, analyze the results and/or modify execution options and resume and continue the execution of the program. This report includes three sectons: a theoretical manual section, a user manual section, and an example manual secton. In the theoretical secton, the mathematics behind the various aspects of the program are concisely outlined. In the user manual section, a line-by-line explanation of the input data is given. In the example manual secton, three types of examples are presented to demonstrate the accuracy and illustrate the use of this program.

Deng, Xiaomin↗
DOE OSTI2026

Development of an ultraprecise glue-free bimorph deformable mirror with a length of 460 mm

Lead zirconate titanate (PZT) bimorph mirrors are essential for performing multiple functions, such as beam shaping, wavefront correction, and dynamic focusing with adjustable beam sizes. They typically consist of a mirror substrate with PZT electrodes bonded to the substrate using a thin epoxy film. However, glue-bonded PZT mirrors exhibit low reproducibility in measurement results. One source of this variability is water absorption by the substrate’s epoxy adhesive during wet fabrication processes, such as elastic emission machining (EEM), which leads to swelling and deformation. Additionally, longer deformable bimorph mirrors require larger PZT electrodes, further complicating their design and fabrication, particularly during bonding and ultraprecise metrology. To address these challenges, silver nanoparticles were employed to bond PZT elements to the silicon (Si) mirror, eliminating the need for epoxy glue. Here, in this study, we developed an inorganic-glue-free PZT bimorph mirror with a length of 460 mm and 28 channels. The glue-free bonding method successfully ensured the high reproducibility of measurements after water immersion. This approach resulted in a shape error of only 0.41 nm root mean square after the figure correction process using an ultraprecise EEM process. Scanning acoustic tomography and basic response function tests confirmed the success of the bonding process, showing no critical voids. Furthermore, the shape changes induced by applying voltages to the PZT electrodes closely matched predictions obtained from simulations. These results demonstrate the reliability and precision of the proposed glue-free bonding technique, paving the way for improved performance of new PZT bimorph mirrors.

Ichii, Yoshio [SLAC National Accelerator Laborator↗
NASA NTRS1975

Stress analysis of adhesive bonded stiffener plates and double joints

The general problem of adhesive bonded stiffener plates and double joints of dissimilar orthotropic adherends with transverse shear deformations are analyzed. Adhesive layers are assumed to be of an isotropic, elastic and relatively flexible material. It is shown that the stress distributions in the adhesive layers are very much dependent on the bending deformations in adherends. Also, it is found that, in the adhesive layer, maximum transverse normal stress is, in many cases, larger than the longitudinal shear stress and that both occur at the edge of the joint. The general method of solution developed is applied to several practical examples.

Yuceoglu, U.↗
NASA NTRS1980

Hybrid-finite-element analysis of some nonlinear and 3-dimensional problems of engineering fracture mechanics

In this paper, efficient numerical methods for the analysis of crack-closure effects on fatigue-crack-growth-rates, in plane stress situations, and for the solution of stress-intensity factors for arbitrary shaped surface flaws in pressure vessels, are presented. For the former problem, an elastic-plastic finite element procedure valid for the case of finite deformation gradients is developed and crack growth is simulated by the translation of near-crack-tip elements with embedded plastic singularities. For the latter problem, an embedded-elastic-singularity hybrid finite element method, which leads to a direct evaluation of K-factors, is employed.

Atluri, S. N.↗
DOE OSTI2023

LAVA 1.0: A general-purpose python toolkit for calculation of material properties with LAMMPS and VASP

Here, we introduce LAVA, a general-purpose python toolkit to provide user-friendly and high throughput calculations for material properties using both LAMMPS and VASP. It contains a set of classes as well as pre-processing and post-processing functions to prepare, execute and extract information from LAMMPS/VASP simulations. An overview of the program structure is provided. The current version contains modules to calculate elastic and mechanical properties such as lattice constant, cohesive energy, cold curve, elastic constants, bulk and shear modulus, volume conserving/non-conserving deformation path, vacancy/interstitial formation energy, surface energy, stacking fault energy, melting point, radial distribution function, and thermal expansion. These functionalities are demonstrated for different interatomic potentials and DFT calculations in Al.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Machine learning based inverse modeling of full-field strain distribution for mechanical characterization of a linear elastic and heterogeneous membrane

Heterogeneous membranes or films are thin and soft structures with spatial variations in material property and thickness. Mechanical behavior of heterogeneous membranes is not well understood, mainly due to the difficulty in obtaining accurate and reliable material property data. To understand the mechanical behavior of these materials, accurate and efficient characterization methods for heterogeneous membranes are needed. Here, in this paper, an inverse method based on machine learning is developed to efficiently extract mechanical properties from full-field strain distributions. This approach is demonstrated on a flat heterogeneous membrane with uniform thickness formed by up to four linear elastic synthetic materials in a grid arrangement, and deforming in a moderate strain range (true strain ~10%). The results show that the machine learning method achieves accuracy comparable to the traditional inverse finite element method, and is 6 orders of magnitude faster in the demonstrated case studies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

LAVA

We introduce LAVA, a general-purpose python toolkit to provide user-friendly and high throughput calculations for material properties using both LAMMPS and VASP. It contains a set of classes as well as pre-processing and post-processing functions to prepare, execute and extract information from LAMMPS/VASP simulations. An overview of the program structure is provided. The current version contains modules to calculate elastic and mechanical properties such as lattice constant, cohesive energy, cold curve, elastic constants, bulk and shear modulus, volume conserving/non-conserving deformation path, vacancy/interstitial formation energy, surface energy, stacking fault energy, melting point, radial distribution function, and thermal expansion.

Dang, Khanh↗