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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
DOE OSTI2018

Non-Destructive Characterization of Subsurface Residual Stress Fields and Correlation with Microstructural Conditions in a Shot-Peened Inconel Component

Shot-peening is an important surface treatment used in a preventative way to guard against fatigue failures. The residual stress state imparted by shot-peening deters the formation and propagation of surface cracks. In this paper, we describe the measurement of residual stresses in an Inconel, IN100, sample using lattice strains measured using High Energy X-ray Diffraction (HEXD) and a Bi-Scale Optimization Method (BSOM). HEXD enabled rapid, non-destructive lattice strain measurements over a large region of the sample. Subsurface strains were obtained using a conical slit setup. The BSOM utilizes a macroscale representation of the sample and a spherical harmonic-based crystal scale representation of crystal orientation space at each experimental point (diffraction volume). A roughly biaxial stress state was predicted with a von Mises equivalent stress between 300 MPa and 400 MPa near the surface. The layer of material with high residual stress induced by shot-peening was found to be approximately 1 mm thick. Diffraction peak width, EBSD, and microhardness measurements were also made on the same sample, which rendered more qualitative measures of the plasticity-related effects of the shot-peening induced residual stress field. All of these measurements show a dimishing shot-peening plasticity with the increasing depth.

42 ENGINEERING↗
DOE OSTI2018

Nanosecond Freezing of Water at High Pressures: Nucleation and Growth near the Metastability Limit

The fundamental study of phase transition kinetics has motivated experimental methods toward achieving the largest degree of undercooling possible, more recently culminating in the technique of rapid, quasi-isentropic compression. This approach has been demonstrated to freeze water into the high-pressure ice VII phase on nanosecond timescales, with some experiments undergoing heterogeneous nucleation while others, in apparent contradiction, suggest a homogeneous nucleation mode. We show through a combination of theory, simulation, and analysis of experiments that these seemingly contradictory results are in agreement when viewed from the perspective of classical nucleation theory. We find that, perhaps surprisingly, classical nucleation theory is capable of accurately predicting the solidification kinetics of ice VII formation under an extremely high driving force ( | Δ μ / k B T | ≈ 1 ) but only if amended by two important considerations: (i) transient nucleation and (ii) separate liquid and solid temperatures. Finally, this is the first demonstration of a model that is able to reproduce the experimentally observed rapid freezing kinetics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

A micro-scale cutting model for UD CFRP composites with thermo-mechanical coupling

Cutting a unidirectional carbon fiber-reinforced polymer (UD CFRP) structure is the basic unit for CFRP machining, which is a complex thermal-mechanically coupled process. To reveal the deformation mechanism and predict cutting force in UD CFRP micro cutting, a micro-scale fracture model for UD CFRP cutting with thermal-mechanical coupling is demonstrated in this paper, which captures the failure modes for fibers, matrix and the interface based on a micro-level RVE using a relatively simple damage based fracture method. The thermal-mechanical coupling model at the micro scale is developed on the basis of the plastic energy dissipation and frictional heating during cutting. Failure models for the fiber, matrix and interface region are applied depending on the material properties of each of these three phases. Numerical simulations based on the above model with different fiber orientations were performed to predict the deformation and forces of different components in UD CFRP. Cutting experiments with the same fiber orientations as considered in the simulations were carried out to validate the force and deformation results. The predicted force and deformation patterns match well with evidence from our experiments. In general, the cutting force is larger than the thrust force regardless of fiber orientation. The cutting force reaches a maximum as the fiber orientation approaches 90 , but thrust forces do not vary substantially across cases. When the fiber orientation is acute, the deformation of fibers is much smaller than when the cutting angle is obtuse. Surface roughness follows the same trend with cutting angle as fiber deformation.

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DOE OSTI2023

Interface Problem Formulation Improvements with Application to Nuclear Fuel Performance Analysis

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation Program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. This report documents new developments and robustness improvements in mechanical and thermal (gap heat transfer) contact formulations. The improvements range from the migration of industrial level (“assessment”) nuclear fuel model setups to the usage of mortar formulations, the addition of frictional contact to one-dimensional layered representations of fuel and cladding components, and the addition of the Petrov-Galerkin approach to dual mortar, which improves performance on curved, relatively coarse meshes. In addition, the Lagrange-multiplier enforcement of mechanical mortar contact constraints has been extended to two additional types of enforcement: penalty and augmented Lagrange-Uzawa. We show that the latter approach yields the same interface results as dual mortar in the Multiphysics Object-Oriented Simulation Environment, with the advantage of not worsening the condition number of the system matrix—thereby enabling the use of some general implementations of iterative preconditioners, at the expense of additional system evaluations (i.e., augmentations).

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DOE OSTI2025

A Scalable Interior‐Point Gauss–Newton Method for PDE‐Constrained Optimization With Bound Constraints

Here, we present a scalable approach to solve a class of partial differential equation (PDE)‐constrained optimization problems with bound constraints. This approach utilizes a robust full‐space interior‐point (IP)‐Gauss–Newton optimization method. To cope with the poorly‐conditioned IP‐Gauss–Newton saddle‐point linear systems that need to be solved approximately, once per optimization step, we propose two spectrally related preconditioners. These preconditioners leverage the limited informativeness of data in regularized PDE‐constrained optimization problems. A block Gauss–Seidel preconditioner is proposed for the GMRES‐based solution of the IP‐Gauss–Newton linear systems. It is shown, for a large‐class of PDE‐ and bound‐constrained optimization problems, that the spectrum of the block Gauss–Seidel preconditioned IP‐Gauss–Newton matrix is asymptotically independent of discretization and is not impacted by the ill‐conditioning that notoriously plagues interior‐point methods. We exploit symmetry of the IP‐Gauss–Newton linear systems and propose a regularization and log‐barrier Hessian preconditioner for the preconditioned conjugate gradient (PCG)‐based solution of the equivalent IP‐Gauss–Newton–Schur complement linear systems. The eigenvalues of the block Gauss–Seidel preconditioned IP‐Gauss–Newton matrix, that are not equal to one, are identical to the eigenvalues of the regularization and log‐barrier Hessian preconditioned Schur complement matrix. The scalability of the approach is demonstrated on two example problems. The numerical solution of these optimization problems is shown to require a discretization independent number of IP‐Gauss–Newton linear solves. Furthermore, the linear systems are solved in a discretization and IP ill‐conditioning independent number of preconditioned Krylov subspace iterations. The parallel scalability of the preconditioner, achieved via algebraic multigrid component solvers when applicable, and the aforementioned algorithmic scalability permits a parallel scalable means to compute solutions of a large class of PDE‐ and bound‐constrained problems.

PDE-constrained optimization↗
DOE OSTI2021

Automatic Differentiation in MetaPhysicL and Its Applications in MOOSE

Efficient solution via Newton’s method of nonlinear systems of equations requires an accurate representation of the Jacobian, corresponding to the derivatives of the component residual equations with respect to the degrees of freedom. In practice these systems of equations often arise from spatial discretization of partial differential equations used to model physical phenomena. These equations may involve domain motion or material equations that are complex functions of the systems’ degrees of freedom. Computing the Jacobian by hand in these situations is arduous and prone to error. Finite difference approximations of the Jacobian or its action are prone to truncation error, especially in multiphysics settings. Symbolic differentiation packages may be used, but often result in an excessive number of terms in realistic model scenarios. An alternative to symbolic and numerical differentiation is automatic differentiation (AD), which propagates derivatives with every elementary operation of a computer program, corresponding to continual application of the chain rule. Automatic differentiation offers the guarantee of an exact Jacobian at a relatively small overhead cost. In this work, we outline the adoption of AD in the Multiphysics Object Oriented Simulation Environment (MOOSE) via the MetaPhysicL package. We describe the application of MOOSE’s AD capability to several sets of physics that were previously infeasible to model via hand-coded or Jacobian-free simulation techniques, including arbitrary Lagrangian-Eulerian and level-set simulations of laser melt pools, phase-field simulations with free energies provided through neural networks, and metallic nuclear fuel simulations that require inner Newton loop calculation of nonlinear material properties.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Effects of Material Selection on the Remanufacturability of a Swashplate in an Axial Piston Pump

A swashplate is a critical component in an axial piston pump for motion transformation that undergoes cyclic loading. Traditionally, swashplates are not designed to have multiple lives of operation. According to industry experts, a remanufacturability analysis of swashplates suggests that the scrap rate is high. Among the primary reasons for this high scrap rate is insufficient material on the running surface, especially for subtractive recovery. Therefore, the selection of the proper material and its amount plays a significant role in the fatigue behavior, the remanufacturability of the swashplate, as well as its cost. Analyses addressing fatigue life, remanufacturability, and cost of the swashplate were carried out in this paper through a comparative study utilizing various materials. Recommendations on the material selection that balance the failure consequences, remanufacturability, and cost are provided to guide designers in making informed decisions for alternative design options.

42 ENGINEERING↗
DOE OSTI2023

Simulation studies of a full-ring, CZT SPECT system for whole-body imaging of 99m Tc and 177 Lu

Single photon emission computed tomography (SPECT) is an imaging modality that has demonstrated its utility in a number of clinical indications. Despite this progress, a high sensitivity, high spatial resolution, multi-tracer SPECT with a large field of view suitable for whole-body imaging of a broad range of radiotracers for theranostics is not available. With the goal of filling this technological gap, we have designed a cadmium zinc telluride (CZT) full-ring SPECT scanner instrumented with a broad-energy tungsten collimator. The final purpose is to provide a multi-tracer solution for brain and whole-body imaging. Our static SPECT does not rely on the dual- and the triple-head rotational SPECT standard paradigm, enabling a larger effective area in each scan to increase the sensitivity. We provide a demonstration of the performance of our design using a realistic model of our detector with simulated body-sized phantoms filled with 99m Tc and 177 Lu. Our SPECT design can resolve 7.9 mm rods for 99m Tc (140 keV) and 9.5 mm for 177 Lu (208 keV) in a hot-rod Derenzo phantom with a 3-min exposure and reach an image contrast of 78% for 99m Tc and 57% for 177 Lu using the NEMA IQ phantom with a 6-min exposure. Our modified scatter correction shows an improved contrast-recovery ratio compared to a standard correction. In this paper, we demonstrate the good performance of our design for whole-body imaging purposes. This adds to our previous demonstration of improved qualitative and quantitative 99m Tc imaging of brain perfusion and 123 I imaging of dopamine transport with respect to state-of-the-art NaI dual-head cameras. We show that our design provides similar IQ and contrast to the commercial full-ring SPECT VERITON for 99m Tc. Regarding 177 Lu imaging of the 208 keV emissions, our design provides similar contrast to that of other state-of-the-art SPECTs with a significant reduction in exposure. In conclusion, the high sensitivity and extended energy range up to 250 keV makes our SPECT design a promising alternative for clinical imaging and theranostics of emerging radionuclides.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

A Generalized Backward Euler algorithm for the numerical integration of a viscous breakage model

This paper discusses the formulation and the numerical performance of a fully implicit algorithm used to integrate a rate-dependent model defined within a breakage mechanics framework. For this purpose, a Generalized Backward Euler (GBE) algorithm has been implemented according to two different linearization strategies: The former is derived by a direct linearization of the constitutive equations, while the latter introduces rate effects through a consistency parameter. Additionally, the accuracy and efficiency of the GBE algorithm have been investigated by (1) performing material point analyses and (2) solving initial boundary value problems. In both cases, the overall performance of the underlying algorithm is inspected for a range of loading rates, thus simulating comminution from slow to fast dynamic problems. As the viscous response of the breakage model can be recast through a viscous nucleus function, the presented algorithm can be considered as a general framework to integrate constitutive equations relying on the overstress approach typical of Perzyna-like viscoplastic models.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Generalized radial-return mapping algorithm for anisotropic von Mises plasticity framed in material eigenspace

A computationally efficient integration algorithm for anisotropic plasticity is proposed, which is identified as a generalization of the radial-return mapping algorithm to anisotropy. The algorithm is based upon formulation within the eigenspace of a material anisotropy tensor associated with anisotropic quadratic von Mises (J 2 ) plasticity (also called Hill plasticity), for which it is shown to ensure that the flow rule remains associative, ie, the normality condition is satisfied. Extension of the algorithm to include anisotropic elasticity (anisotropic elastoplasticity) is further provided, made possible by the identification of a certain fourth-order material tensor dependent on both the elastic and plastic anisotropy. The derivation of the fully elastoplastically anisotropic algorithm involves further complexity, but the resulting algorithm is shown to closely resemble the purely plastically anisotropic one once the appropriate eigenspace is identified. The proposed generalized radial-return algorithm is compared to a classical closest-point projection algorithm, for which it is shown to provide considerable advantage in computational cost. In conclusion, the efficiency, accuracy, and robustness of the algorithm are demonstrated through various illustrative test cases and in the finite element simulation of Taylor impact tests on tantalum.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Characteristics of Fluid‐Solid Interaction Constitutive Models Within Poroelastodynamics at Higher Strain‐Rates and Large Deformations Implemented in 1D

The large deformation, mixed formulation, finite element (FE) modeling approach presented in Irwin et al. 2024 is extended herein to include improved constitutive models for representing dynamic solid-fluid interactions at higher strain rates (𝒪⁢(1⁢0 2 −1⁢0 3 )⁢s −1 ) and larger overpressure magnitudes (𝒪⁡(1⁢0 2 )⁢kPa) within a biphasic soft porous material using Theory of Porous Media (TPM) at finite strain. Specifically, these constitutive modeling improvements are the following: (i) a more physically robust constitutive model for pore fluid seepage velocity via inclusion of pore fluid viscous stress, and (ii) a modified deformation-dependent-permeability model and updated hyperelastic constitutive model better suited for handling larger volumetric compressions and extensions. The novelty of the present work is mainly the contribution (i): inclusion of pore fluid viscous stress at higher strain-rate and large deformations, which requires 𝐶 1 continuity in the weak formulation, accomplished by employing Hermite cubic interpolation functions within a mixed nonlinear poromechanical finite element formulation. In (ii), the model is updated to weakly enforce solid phase incompressibility, such that this assumption is not violated numerically, which provides improved numerical stability for achieving larger overpressure magnitudes on 𝒪⁡(1⁢0 2 ) kPa, which were not achievable with the previous Kozeny–Carman model in Irwin et al. 2024. Also in (ii), the volumetric part of the solid skeleton free energy function is modified to ensure proper bounds on the solid skeleton Jacobian of deformation 𝐽 s related to incompressibility of the solid phase. Uniaxial strain, unidirectional flow examples at higher strain rates (𝒪⁢(1⁢0 2 −1⁢0 3 )⁢s −1 ) and larger deformations (up to 0.2 (or 20%) nominal axial strain) demonstrate the improved physical representation—and numerical stability—of these constitutive model improvements.

42 ENGINEERING↗
DOE OSTI2024

A large deformation multiphase continuum mechanics model for shock loading of soft porous materials

A large deformation, coupled finite-element (FE) model is developed to simulate the multiphase response of soft porous materials subjected to high strain-rate loading. The approach is based on the theory of porous media (TPM) at large deformations. Simplifications to the one-dimensional regime studied in the numerical simulations follow. An overview of several different time integration schemes is presented for the purpose of solving the nonlinear dynamic coupled balance of momenta (mixture and fluid) and balance of mass of the mixture equations. Numerical examples are presented for (i) verification against closed-form analytical solutions assuming small loads, (ii) demonstrating large deformation effects at high strain-rate, and (iii) showing differences in deformations between a single-phase elastodynamics model with occluded compressible pore fluid and a multiphase poroelastodynamics model at high strain-rate. The multiphase model shows that the relative motion of the pore fluid significantly dampens the deformation response of the solid skeleton as compared to the single-phase model, and makes it possible to extract quantitative values for the stresses of the different constituents, thereby allowing one to form preliminary conclusions about the onset of damage in the solid skeleton. The novelty of the current work is developing a multiphase, large deformation, mixture theory numerical model for high strain-rate loading of soft porous materials. It was discovered that explicit, adaptive time-stepping Runge–Kutta schemes offer high accuracy at relatively low cost when compared to traditional implicit or explicit central difference time-stepping schemes for shock-like loadings. Here, shock viscosity is added to the mixture momentum balance equation to regularize the shock front, and a stabilization term is added to the mixture mass balance equation to stabilize equal order interpolation finite elements for the coupled finite element solution of multiphase materials.

Engineering↗
DOE OSTI2024

A layered solid finite element formulation with interlaminar enhanced displacements for the modeling of laminated composite structures

Accurate modeling of layered composite structures often requires the use of detailed finite element models which can sufficiently resolve the kinematics and material behavior within each layer of the composite. However, individually discretizing each material layer into finite elements presents a prohibitive computational expensive given the large number of thin layers comprising some laminated composites. To address these challenges, an 8-node layered solid hexahedral finite element is formulated with the aim of striking an appropriate balance between efficiency and fidelity. The element is discretized into an arbitrary number of distinct material layers, and employs reduced in-plane integration within each layer. The chosen reduced integration scheme is supplemented by a novel physical stabilization approach which includes layerwise enhancements to mitigate various forms of locking phenomena. The proposed framework additionally supports the inclusion of interlaminar enhanced displacements to better represent the kinematics of general layered composite materials. Finally, the described element formulation has been implemented in the ParaDyn finite element code, and its efficacy for modeling laminated composite structures is demonstrated on a variety of verification problems.

42 ENGINEERING↗
DOE OSTI2020

Linear viscoelastic characterization of electrically conductive adhesives used as interconnect in photovoltaic modules

Electrically conductive adhesives (ECAs) are incorporated into recent designs of photovoltaic (PV) modules and replace the traditional metallic solders as interconnects. This transition depicts a significant material change, and a proper understanding of the interconnects' mechanical response has not yet been established. However, such an understanding is necessary to (a) identify the driving forces for module degradation and failure, (b) allow for module design optimization, and (c) enable accurate lifetime predictions. This study summarizes the framework for the mechanical materials characterization and modeling of ECAs for PV applications. Only high-fidelity material models are able to capture the rate and temperature dependency of the ECA interconnect and allow for accurate modeling of the materials response. Furthermore, a linear viscoelastic representation is found to describe the mechanical response of the ECAs sufficiently well. The effects of curing conditions and environmental exposure are investigated, and material models for a variety of ECAs are reported and prepared for the use in numerical simulations. Overall, a finite element simulation of a generic submodel of a shingled cell module is used to highlight the need for high-fidelity material models and demonstrates the error made in the predicted stress states by using less sophisticated models.

14 SOLAR ENERGY↗
DOE OSTI2023

Multiscale numerical investigation of ratchet growth damage effects in PBX 9502

This paper presents results of numerical experiments conducted on the high explosive PBX 9502 to investigate how recently observed grain-scale damage mechanisms of ratchet growth affect uniaxial compression measurements. Simulations are multiscale in the sense of directly resolving grains, pores, cracks, and grain-interfaces based upon scanning electron microscope (SEM) images of damaged and undamaged samples. The combined finite-discrete element method (FDEM) is utilized to resolve both grain-scale microfracture and elastoplastic deformation of solid grains. Pristine (undamaged) and damaged microstructures are compared in simulation of unconfined compression tests of the same material from the literature. Here, the simulation results show the observed microscale mechanisms of damage, specifically microfracture predominantly around and sometimes through grains and crack-associated pore growth, can well-explain the effective degradation of strength and stiffness observed in the laboratory measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Thermomechanical Modeling of High-Temperature Bonded Interface Materials

In an automotive power electronics package, bonded interface materials play a critical role in providing a smooth heat dissipation path from the device to the coolant. However, these materials are susceptible to failure when the package gets exposed to repeated changes in its thermal environment and internal temperature variations. Under these thermal conditions, the coefficient of thermal expansion mismatch between the different component layers results in thermally induced stresses and consequently the delamination of the material from its adjoining surfaces or crack initiation and propagation within the material. Thermomechanical modeling offers a path to study the complex nature of these bonded materials, guides their design and selection, and, in conjunction with experimental results, plays an important role in predicting their lifetime. In this chapter, two modeling strategies - similar in approach and implementation but different in the underlying theory - are discussed in the context of high-temperature bonded materials. In addition, a short review of sintered silver is provided, as it is widely seen as a potentially promising and reliable bonded material for high-temperature applications.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Simple, accurate surrogate models of the elastic response of three-dimensional open truss micro-architectures with applications to multiscale topology design

Elastic meta-materials are those whose unique properties come from their micro-architecture, rather than, e.g., from their chemistry. The introduction of such architecture, which is increasingly able to be fabricated due to advances in additive manufacturing, expands the design domain and enables improved design, from the most complex multi-physics design problems to the simple compliance design problem that is our focus. Unfortunately, concurrent design of both the micro-scale and the macroscale is computationally very expensive when the former can vary spatially, particularly in three dimensions. Instead, we provide simple, accurate surrogate models of the homogenized linear elastic response of the isotruss, the octet truss, and the ORC truss based on high-fidelity continuum finite element analyses. These surrogate models are relatively accurate over the full range of relative densities, in contrast to analytical models in the literature, which we show lose accuracy as relative density increases. The surrogate models are also simple to implement, which we demonstrate by modifying Sigmund’s 99-line code to solve a three-dimensional, multiscale compliance design problem with spatially varying relative density. Here, we use this code to generate examples in both two and three dimensions that illustrate the advantage of elastic meta-materials over structures with a single length scale, i.e., those without micro-architectures.

42 ENGINEERING↗