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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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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 OSTI2020

A numerical-homogenization based phase-field fracture modeling of linear elastic heterogeneous porous media

Most porous media, such as geomaterials and biomaterials are highly heterogeneous in nature, and they contain large variations of microscopic pore structures, such as pore sizes, pore distribution, and pore shapes. The oscillation of microscopic structures is a substantial challenge in theoretical characterization and is usually ignored in continuous modeling. However, mechanical behavior of porous media such as deformation and failure, are essentially impacted by the microscopic heterogeneity which needs to be considered in modeling a porous media. Here, this research proposes a numerical modeling framework with a capability to investigate the effect of microscopic heterogeneity on the macroscopic fracture behavior in porous media by using a numerical homogenization technique, combined with the phase-field fracture modeling method. This numerical modeling strategy computes a homogenized elasticity tensor based on microscopic heterogeneous pore structures heterogenous porous domain by solving boundary value problems at microscopic domain. The strain energy and subsequent propagation of macroscopic fractures will be updated using homogenized stiffness information. Using this numerical scheme, the microscopic pore structure’s impact on the fracture behavior through the homogenized elastic tensor will be taken into account. This multiscale technique is benchmarked against classical problems. Finally, the results highlight the importance of the underlying pore structure and reveal that both fracture strength and propagation path can be influenced by the microscopic heterogeneity.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Comparative analysis of plasticity-based GND density estimation methods in crystal plasticity finite element models

In crystal plasticity finite element (CPFE) simulations, accurately quantifying geometrically necessary dislocations (GNDs) is critical for capturing strain gradients in polycrystals. We compare different methods for quantifying GNDs, all of which originate from the Nye tensor, which is computed as the curl of the plastic deformation gradient. The projection technique directly decomposes the Nye tensor onto individual screw and edge dislocation components to compute GNDs. This approach requires converting a nine-component Nye tensor into densities for a larger number of dislocation systems, a fundamentally underdetermined (non-unique) process, which is resolved using L2 minimization. In contrast, when employing CPFE analysis, one could directly compute dislocation densities on each slip system using shear gradients. Projection and slip gradient methods are compared with respect to their prediction of GNDs with changing grain size, strain, and grain neighborhoods, including multigrain junctions. Although these techniques match analytical GND densities for single slip, single crystal deformation, and are consistent with anticipated overall GND trends, we find that the GND densities from projection techniques are significantly lower than those predicted from CPFE-based slip gradients in polycrystals. A suggested improvement of only using the active dislocation systems in the projection technique almost entirely resolved this mismatch.

Crystal plasticity↗
DOE OSTI2022

Apparatus for measuring strength in biaxial compression

We report most measurements of compressive strength of ductile materials have involved Hopkinson–Kolsky bars or Taylor anvils placing samples in uniaxial compression. In these geometries, strain is limited by the tendency of the sample to petal, in analogy to necking in uniaxial tension. Estimation of strength for any other form of the stress tensor requires assuming a shape of the yield surface; because data exist only for uniaxial compression, these assumptions are untested. In an imploding spherical shell, compression is biaxial, the plastic strain may not be small, and the material behavior may be nonlinear as a result of work hardening and heating by plastic work. We outline a method of measuring the strengths of materials in biaxial compression, both quasistatically and dynamically, using the compression of thin spherical shells. We suggest surrounding the shell with an annulus filled with a mixture of H 2 and Cl 2 gases whose homogeneous ignition is initiated by a flash of blue and near-ultraviolet light. Less promising approaches are described in Appendixes A–C .

47 OTHER INSTRUMENTATION↗
NASA NTRS2019

Verification and Validation of a Three-Dimensional Composite Impact Model with Tabulated Input

A material model which incorporates several key capabilities which have been identified by the aerospace community as lacking in the composite impact models currently available in the commercial transient dynamic finite element code LS-DYNA® has been developed. The material model utilizes experimentally based tabulated input to define the evolution of plasticity and damage as opposed to specifying discrete input parameters (such as modulus and strength. The plasticity portion of the orthotropic, three-dimensional, macroscopic composite constitutive model is based on an extension of the Tsai-Wu composite failure model into a generalized yield function with a non-associative flow rule. The capability to account for the rate and temperature dependent deformation response of composites has also been incorporated into the material model. For the damage model, a strain equivalent formulation is utilized to allow for the uncoupling of the deformation and damage analyses. In the damage model, a diagonal damage tensor is defined to account for the directionally dependent variation of damage. However, the terms in the damage matrix are semi-coupled such that the damage in a particular coordinate direction is a function of the stresses and plastic strains in all of the coordinate directions. For the failure model, a tabulated approach is utilized in which a stress or strain based invariant is defined as a function of the location of the current stress state in stress space to define the initiation of failure, which allows an arbitrarily shaped failure surface to be defined. A systematic series of validation and verification studies, at a variety of length scales ranging from single element simulations to simulations of a flat panel impact test, have been performed to fully exercise and evaluate the capabilities of the developed model.

Impact↗
NASA NTRS1980

Generalized Grueneisen tensor from solid nonlinearity parameters

Anharmonic effects in solids are often described in terms of generalized Grueneisen parameters which measure the strain dependence of the lattice vibrational frequencies. The relationship between these parameters and the solid nonlinearity parameters measured directly in ultrasonic harmonic generation experiments is derived using an approach valid for normal-mode elastic wave propagation in any crystalline direction. The resulting generalized Grueneisen parameters are purely isentropic in contrast to the Brugger-Grueneisen parameters which are of a mixed thermodynamic state. Experimental data comparing the isentropic generalized Grueneisen parameters and the Brugger-Grueneisen parameters are presented.

Cantrell, J. H., Jr.↗
NASA NTRS1979

Finite-strain large-deflection elastic-viscoplastic finite-element transient response analysis of structures

A method of analysis for thin structures that incorporates finite strain, elastic-plastic, strain hardening, time dependent material behavior implemented with respect to a fixed configuration and is consistently valid for finite strains and finite rotations is developed. The theory is formulated systematically in a body fixed system of convected coordinates with materially embedded vectors that deform in common with continuum. Tensors are considered as linear vector functions and use is made of the dyadic representation. The kinematics of a deformable continuum is treated in detail, carefully defining precisely all quantities necessary for the analysis. The finite strain theory developed gives much better predictions and agreement with experiment than does the traditional small strain theory, and at practically no additional cost. This represents a very significant advance in the capability for the reliable prediction of nonlinear transient structural responses, including the reliable prediction of strains large enough to produce ductile metal rupture.

Rodal, J. J. A.↗
NASA NTRS2016

Incorporation of Damage and Failure into an Orthotropic Elasto-Plastic Three-Dimensional Model with Tabulated Input Suitable for Use in Composite Impact Problems

A material model which incorporates several key capabilities which have been identified by the aerospace community as lacking in the composite impact models currently available in LS-DYNA(Registered Trademark) is under development. In particular, the material model, which is being implemented as MAT 213 into a tailored version of LS-DYNA being jointly developed by the FAA and NASA, incorporates both plasticity and damage within the material model, utilizes experimentally based tabulated input to define the evolution of plasticity and damage as opposed to specifying discrete input parameters (such as modulus and strength), and is able to analyze the response of composites composed with a variety of fiber architectures. The plasticity portion of the orthotropic, three-dimensional, macroscopic composite constitutive model is based on an extension of the Tsai-Wu composite failure model into a generalized yield function with a non-associative flow rule. The capability to account for the rate and temperature dependent deformation response of composites has also been incorporated into the material model. For the damage model, a strain equivalent formulation is utilized to allow for the uncoupling of the deformation and damage analyses. In the damage model, a diagonal damage tensor is defined to account for the directionally dependent variation of damage. However, in composites it has been found that loading in one direction can lead to damage in multiple coordinate directions. To account for this phenomena, the terms in the damage matrix are semi-coupled such that the damage in a particular coordinate direction is a function of the stresses and plastic strains in all of the coordinate directions. The onset of material failure, and thus element deletion, is being developed to be a function of the stresses and plastic strains in the various coordinate directions. Systematic procedures are being developed to generate the required input parameters based on the results of experimental tests.

Finite Element Method↗
DOE OSTI2021

Overview of Hydraulic Fracturing Test Site 2 in the Permian Delaware Basin (HFTS-2)

Here, the Hydraulic Fracturing Test Site 2 (HFTS-2) is a large collaborative field-based R&D program in the Permian Delaware Basin, funded by the US Department of Energy through the National Energy Technology Laboratory (NETL) and the E&P industry, with support from academia. The projects' main objective is to improve the understating of the hydraulic fracturing process through utilization of advanced diagnostics and collection of through-fracture cores to provide undisputable evidence and attributes of the created hydraulic fractures. At the HFTS-2, in excess of $30 million was used to perform hydraulic fracturing research focusing on the Wolfcamp formation at a field site hosted and operated by Occidental. In addition to the research data collected by the project, Occidental provided a significant amount of background data for about a dozen existing wells in the test area as well as access to previously collected core. Additional technical and laboratory support was provided by the program members. Building on learnings and unanswered questions from HFTS-1 in the Permian Midland basin, the HFTS-2 used eight new producing wells and two existing (parent) wells to perform hydraulic fracturing research. Multiple science wells were drilled to sample and characterize the subsurface, including the collection of 540 feet of core in a vertical pilot hole and 948 feet of high-angle through-fracture core. The project installed permanent fiber optic cables in 3 wells to monitor near wellbore signals during fracturing and to collect cross-well strain measurements. Additional advanced diagnostics included a significant formation evaluation program on the vertical whole core, multi array moment tensor inversion capable microseismic survey, multi-well time-lapse geochemistry analysis, analysis of proppant distribution in producing child and slant core well, and others. We will provide an overview of the HFTS-2 project, including list of the consortium members, details of the test site, experiments performed, and technologies tested.

58 GEOSCIENCES↗
NASA NTRS1978

Linear and nonlinear interactions between the earth tide and a tectonically stressed earth

In the vincinity of earthquake focal regions, conditions may not be equal. Crustal rocks stressed to more than approximately 0.6 of their failure strength exhibit material properties over and above that of linear elasticity. Interactions between the earth tide and crustal rocks that are under high tectonic stress are discussed in terms of simple phenomenological models. In particular, the difference between a nonlinear elastic model of dilatancy and a dilatancy model that exhibits hysteresis is noted. It is concluded that the small changes in stress produced by the earth tide act as a probe of the properties of crustal rocks. Observations of earth tide tilts and strains in such high stress zones may, therefore, provide keys to the constitutive properties and the tectonic stress rate tensor of these zones.

Beaumont, C.↗
DOE OSTI2022

A directional microcrack damage theory for brittle solids based on continuous hyperplasticity

We present a novel microcrack-damage theory for brittle solids under compression. Instead of using internal variables like zeroth, second or fourth rank damage tensors, the state of material damage is represented by an internal function that encapsulates the information of direction, density and size of microcracks. Just like other internal variables, the evolution of this state function must obey the second law of thermodynamics for arbitrary loading paths. This is done by casting the model in the framework of continuous hyperplasticity and enforcing a non-negative dissipation rate functional. The proposed framework offers predictions on the continuous evolution of microcrack density and the induced material anisotropy along with the macroscopic stress-strain curves. The use of continuous damage function grants the model significantly enhanced resolution in characterizing the direction-dependent response of cracked solids compared to classical models that are based on damage tensors. Two scenarios are considered in developing the theory, one assumes frictionless cracks and the other incorporates friction between crack surfaces. The results highlight that inelasticity, pressure dependence, and loading-unloading hysteresis exhibited by brittle solids are natural consequences of frictional microcracks. The proposed theory offers a generic and versatile framework to upscale micromechanical processes operating at individual crack scale to explain the macroscopic behavior of cracked solids.

Materials Science↗
DOE OSTI2021

Deep Learning Predicts Stress–Strain Relations of Granular Materials Based on Triaxial Testing Data

This study presents an AI-based constitutive modelling framework wherein the prediction model directly learns from triaxial testing data by combining discrete element modelling (DEM) and deep learning. A constitutive learning strategy is proposed based on the generally accepted frame-indifference assumption in constructing material constitutive models. The low-dimensional principal stress-strain sequence pairs, measured from discrete element modelling of triaxial testing, are used to train recurrent neural networks, and then the predicted principal stress sequence is augmented to other high-dimensional or general stress tensor via coordinate transformation. Through detailed hyperparameter investigations, it is found that long short-term memory (LSTM) and gated recurrent unit (GRU) networks have similar prediction performance in constitutive modelling problems, and both satisfactorily predict the stress responses of granular materials subjected to a given unseen strain path. Furthermore, the unique merits and ongoing challenges of data-driven constitutive models for granular materials are discussed.

42 ENGINEERING↗
DOE OSTI2024

Sequential formulation of all‐way coupled finite strain thermoporomechanics for largely deformable gas hydrate deposits

We develop a numerically stable sequential formulation of thermoporomechanics for largely deformable gas hydrate deposits, extended from the fixed stress split of infinitesimal transformation. Constitutive equations are based on the total Lagrangian approach for both flow and geomechanics, including dynamic full tensor permeability and thermal conductivity updated from the deformation gradient. For space discretization, we take the cell-centered finite volume and node-based finite element method for flow and geomechanics, respectively. Then, we propose a sequential implicit method for all-way coupled thermoporomechanics, where the nonisothermal multiphase flow problem of gas hydrates is solved implicitly first and then the geomechanics problem is solved implicitly at the next step. During solution of the flow problem, we fix the rate of first Pioal total stress for numerical stability as well as apply porosity correction and entropy correction to account for geomechanical effects. We test numerical examples where flow and geomechanics parameters are based on deep oceanic gas hydrate deposits. When applying depressurization, even though the results between the infinitesimal transformation and finite strain geomechanics are similar in the early stages due to small deformation, we find differences between them in the late times as deformation becomes large. Accordingly, permeability and thermal conductivity tensors become nonisotropic full tensors although they are initially isotropic. Furthermore, we identify numerical stability of the developed sequential method from the test cases that exhibit the highly complex coupled gas hydrate systems with large deformation. Thus, the proposed sequential formulation can be applied in largely deformable gas hydrate systems.

42 ENGINEERING↗
DOE OSTI2024

Data-Driven Insights into the Structural Essence of Plasticity in High-Entropy Alloys

The heterogeneous mechanical response of a crystalline alloy with multiple principal elements was investigated using molecular dynamics simulations. The local configuration of the alloy in its quiescent state was characterized by the variables derived from the gyration tensor and the atomic electronegativity. A multivariate analysis identified the geometric and chemical factors that influenced the atomic packing variations. Further, upon straining, the non-affine displacement exhibited spatial heterogeneity. A statistical correlation was established between the local yield events and the specific features of the local configuration. Our findings, validated by the performance metrics analysis, provided a structural criterion for the instability mechanisms in high-entropy alloys (HEAs) and enhanced the understanding of their plasticity.

36 MATERIALS SCIENCE↗
NASA NTRS1980

On failure modes in finite width angle ply laminates

The results of a failure analysis of finite width (+ or - theta)s T300/5208 graphite-epoxy laminates subjected to thermal curing loads and applied tensile strain are presented. Stress distributions obtained from linear elastic and linear thermoelastic finite element stress analyses are used in conjunction with the tensor polynomial failure criterion to predict the mode and location of first failure in laminates with fiber angles ranging from five to seventy-five degrees. It is shown that the mode of failure is predominantly interlaminar shear for small fiber angles, shifts to combined interlaminar normal, in-plane shear and in-plane normal for intermediate angles, and is primarily transverse tension for large fiber angles. The location of initial failure shifts from the (+ or - theta)s interface for small fiber angles to the midplane for large fiber angles.

Herakovich, C. T.↗
DOE OSTI2023

Large Enhancements in Optical and Piezoelectric Properties in Ferroelectric Zn 1- x Mg x O Thin Films through Engineering Electronic and Ionic Anharmonicities

Multifunctionality as a paradigm requires materials exhibiting multiple superior properties. Integrating second-order optical nonlinearity and large bandgap with piezoelectricity can, for example, enable broadband, strain-tunable photonics. Though very different phenomena at distinct frequencies, both second-order optical nonlinearity and piezoelectricity are third-rank polar tensors present only in acentric crystal structures. However, simultaneously enhancing both phenomena is highly challenging since it involves competing effects with tradeoffs. Recently, a large switchable ferroelectric polarization of ≈80 μC cm –2 was reported in Zn 1-x Mg x O films. Here, ferroelectric Zn 1-x Mg x O is demonstrated to be a platform that hosts simultaneously a 30% increase in the electronic bandgap, a 50% enhancement in the second harmonic generation (SHG) coefficients, and a near 200% improvement in the piezoelectric coefficients over pure ZnO. These enhancements are shown to be due to a 400% increase in the electronic anharmonicity and a ≈200% decrease in the ionic anharmonicity with Mg substitution. Precisely controllable periodic ferroelectric domain gratings are demonstrated down to 800 nm domain width, enabling ultraviolet quasi-phase-matched optical harmonic generation as well as domain-engineered piezoelectric devices.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Critical assessment of Reynolds stress turbulence models using homogeneous flows

In modeling the rapid part of the pressure correlation term in the Reynolds stress transport equations, extensive use has been made of its exact properties which were first suggested by Rotta. These, for example, have been employed in obtaining the widely used Launder, Reece and Rodi (LRR) model. Some recent proposals have dropped one of these properties to obtain new models. We demonstrate, by computing some simple homogeneous flows, that doing so does not lead to any significant improvements over the LRR model and it is not the right direction in improving the performance of existing models. The reason for this, in our opinion, is that violation of one of the exact properties can not bring in any new physics into the model. We compute thirteen homogeneous flows using LRR (with a recalibrated rapid term constant), IP and SSG models. The flows computed include the flow through axisymmetric contraction; axisymmetric expansion; distortion by plane strain; and homogeneous shear flows with and without rotation. Results show that for most general representation for a model linear in the anisotropic tensor, performs either better or as good as the other two models of the same level.

Shabbir, Aamir↗