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All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Modeling and Characterization of Damage Processes in Metallic Materials

This paper describes a broad effort that is aimed at understanding the fundamental mechanisms of crack growth and using that understanding as a basis for designing materials and enabling predictions of fracture in materials and structures that have small characteristic dimensions. This area of research, herein referred to as Damage Science, emphasizes the length scale regimes of the nanoscale and the microscale for which analysis and characterization tools are being developed to predict the formation, propagation, and interaction of fundamental damage mechanisms. Examination of nanoscale processes requires atomistic and discrete dislocation plasticity simulations, while microscale processes can be examined using strain gradient plasticity, crystal plasticity and microstructure modeling methods. Concurrent and sequential multiscale modeling methods are being developed to analytically bridge between these length scales. Experimental methods for characterization and quantification of near-crack tip damage are also being developed. This paper focuses on several new methodologies in these areas and their application to understanding damage processes in polycrystalline metals. On-going and potential applications are also discussed.

Glaessgen, E. H.↗
DOE OSTI2023

Eulerian finite element implementations of a dislocation density-based continuum model

In Eulerian finite element simulations, the mesh moves relative to the material. After every change of position between the mesh and the material, the state variables are interpolated to the new mesh position, which is referred to as advection. Large strain crystal plasticity models are based on the multiplicative decomposition of the total deformation gradient. Further, the stress is evaluated as a function of the thermoelastic strain, temperature, and other state variables. Advection of tensor quantities, such as the strain, is coupled with possibly significant advection errors. In an effort to reduce the advection errors, we develop two rate forms of an established dislocation density-based continuum model. To that end, we replace the multiplicative decomposition of the deformation gradient with the additive decomposition of the velocity gradient, and define the stress rate instead of the total stress. The Eulerian implementation is compared with Lagrangian calculations, and two numerical examples with severe deformation levels are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In-Situ Calibrated Modeling of Residual Stresses Induced in Machining under Various Cooling and Lubricating Environments

Although many functional characteristics, such as fatigue life and damage resistance depend on residual stresses, there are currently no industrially viable ‘Digital Process Twin’ models (DPTs) capable of efficiently and quickly predicting machining-induced stresses. By leveraging advances in ultra-high-speed in-situ experimental characterization of machining and finishing processes under plane strain (orthogonal/2D) conditions, we have developed a set of physics-based semi-analytical models to predict residual stress evolution in light of the extreme gradients of stress, strain and temperature, which are unique to these thermo-mechanical processes. Initial validation trials of this novel paradigm were carried out in Ti-6Al4V and AISI 4340 alloy steel. A variety dry, cryogenically cooled and oil lubricated conditions were evaluated to determine the model’s ability to capture the tribological changes induced due to lubrication and cooling. The preliminarily calibrated and validated model exhibited an average correlation of better than 20% between the predicted stresses and experimental data, with calculation times of less than a second. Based on such fast-acting DPTs, the authors envision future capabilities in pro-active surface engineering of advanced structural components (e.g., turbine blades).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Numerical Simulation of Irradiation Induced Swelling for STAR 4.1 Blanket

Here, this article presents the preliminary results of FEM implementation of irradiation-induced swelling, hardening, and creep effect using ANSYS user programmable features (UPFs) applied to material properties. The first liquid metal breeding blanket model for STAR 4.1 tokamak as a part of the virtual prototyping system is under development at Princeton Plasma Physics Laboratory (PPPL). Intense neutron irradiation produces significant changes in the physical and mechanical properties of Fe-(8%–9%)Cr-based reduced activation ferritic martensitic (RAFM) steels. An ANSYS model of the breeding blanket was built to involve these irradiation-induced material property changes with neutron fluence distribution mapped from the MCNP model. Simulation results show that significant structure deformation forms from nuclear swelling, stress, and plastic strain arising from DPA gradient through wall thickness. The material degradation effect is not negligible. This modeling feature can either assist in analyzing the structural behaviors with the influence of nuclear swelling or provide guidance to design the structure to withstand irradiation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1993

Dynamic localization and second-order subgrid-scale models in large eddy simulations of channel flow

The objective here is to test the Dynamic Localization (DL) model in a wall-bounded channel flow for numerical stability and accuracy of results. Algebraic stress models suggest that the model for the residual subgrid-scale (SGS) Reynolds stress and scalar flux should generally have terms comprising most of the unique products of the resolved strain (S) and rotation (R) tensors with S and the resolved scalar gradient. The standard dynamic SGS model uses a simple (Smagorinsky) base model for the residual Reynolds stress, which is made proportional to S, and down-gradient base models for residual scalar fluxes; these correspond to the lowest, 'first-order' terms in algebraic stress models. Temporal scaling terms in these base models are formed from the magnitude of the resolved strain rate. While this is appropriate for simple shear flows, it may not be appropriate for more complicated flows (relevant to geophysical and astrophysical problems) that include any combination of shear, rotation, buoyancy, etc. On the other hand, the coefficient in the dynamic SGS model readily adjusts itself to different flow conditions and may adequately take account of these effects without the need for more complicated base models. Cabot (1993) has begun to test the dynamic SGS model in buoyant flows (Rayleigh-Benard and internally heated convection) with and without buoyancy terms explicitly included in the scaling terms of the base model; no great differences were found in large eddy simulation (LES) results for the different base model scalings. The second objective in this work is to test base models with additional, 'second-order' terms (e.g., S(sup 2) and RS for the residual Reynolds stress). These terms have been found to improve large-scale flow predictions by kappa-epsilon models in the presence of rotation and shear. Second-order base models will be tested here in the LES of channel flow with and without solid-body rotation and compared with results from the standard first-order base models to determine if there are significant differences or improvements in results that would warrant the added complexity of the second-order base models.

Cabot, William H.↗
NASA NTRS1993

Current capabilities for simulating the extreme distortion of thin structures subjected to severe impacts

The explicit transient dynamics technology in use today for simulating the impact and subsequent transient dynamic response of a structure has its origins in the 'hydrocodes' dating back to the late 1940's. The growth in capability in explicit transient dynamics technology parallels the growth in speed and size of digital computers. Computer software for simulating the explicit transient dynamic response of a structure is characterized by algorithms that use a large number of small steps. In explicit transient dynamics software there is a significant emphasis on speed and simplicity. The finite element technology used to generate the spatial discretization of a structure is based on a compromise between completeness of the representation for the physical processes modelled and speed in execution. That is, since it is expected in every calculation that the deformation will be finite and the material will be strained beyond the elastic range, the geometry and the associated gradient operators must be reconstructed, as well as complex stress-strain models evaluated at every time step. As a result, finite elements derived for explicit transient dynamics software use the simplest and barest constructions possible for computational efficiency while retaining an essential representation of the physical behavior. The best example of this technology is the four-node bending quadrilateral derived by Belytschko, Lin and Tsay. Today, the speed, memory capacity and availability of computer hardware allows a number of the previously used algorithms to be 'improved.' That is, it is possible with today's computing hardware to modify many of the standard algorithms to improve their representation of the physical process at the expense of added complexity and computational effort. The purpose is to review a number of these algorithms and identify the improvements possible. In many instances, both the older, faster version of the algorithm and the improved and somewhat slower version of the algorithm are found implemented together in software. Specifically, the following seven algorithmic items are examined: the invariant time derivatives of stress used in material models expressed in rate form; incremental objectivity and strain used in the numerical integration of the material models; the use of one-point element integration versus mean quadrature; shell elements used to represent the behavior of thin structural components; beam elements based on stress-resultant plasticity versus cross-section integration; the fidelity of elastic-plastic material models in their representation of ductile metals; and the use of Courant subcycling to reduce computational effort.

Key, Samuel W.↗
NASA NTRS1993

Residual strain gradient determination in metal matrix composites by synchrotron X-ray energy dispersive diffraction

An X-ray technique for the measurement of internal residual strain gradients near the continuous reinforcements of metal matrix composites has been investigated. The technique utilizes high intensity white X-ray radiation from a synchrotron radiation source to obtain energy spectra from small (0.001 cu mm) volumes deep within composite samples. The viability of the technique was tested using a model system with 800 micron Al203 fibers and a commercial purity titanium matrix. Good agreement was observed between the measured residual radial and hoop strain gradients and those estimated from a simple elastic concentric cylinders model. The technique was then used to assess the strains near (SCS-6) silicon carbide fibers in a Ti-14Al-21Nb matrix after consolidation processing. Reasonable agreement between measured and calculated strains was seen provided the probe volume was located 50 microns or more from the fiber/matrix interface.

Kuntz, Todd A.↗
NASA NTRS1994

Recent deformation rates on Venus

Constraints on the recent geological evolution of Venus may be provided by quantitative estimates of the rates of the principal resurfacing processes, volcanism and tectonism. This paper focuses on the latter, using impact craters as strain indicators. The total postimpact tectonic strain lies in the range 0.5-6.5%, which defines a recent mean strain rate of 10(exp -18)-10(exp -17)/s when divided by the mean surface age. Interpretation of the cratering record as one of pure production requires a decline in resurfacing rates at about 500 Ma (catastrophic resurfacing model). If distributed tectonic resurfacing contributed strongly before that time, as suggested by the widespread occurrence of tessera as inliers, the mean global strain rate must have been at least approximately 10(exp -15)/s, which is also typical of terrestrial active margins. Numerical calculations of the response of the lithosphere to inferred mantle convective forces were performed to test the hypothesis that a decrease in surface strain rate by at least two orders of magnitude could be caused by a steady decline in heat flow over the last billion years. Parameterized convection models predict that the mean global thermal gradient decreases by only about 5 K/km over this time; even with the exponential dependence of viscosity upon temperature, the surface strain rate drops by little more than one order of magnitude. Strongly unsteady cooling and very low thermal gradients today are necessary to satisfy the catastrophic model. An alternative, uniformitarian resurfacing hypothesis holds that Venus is resurfaced in quasi-random 'patches' several hundred kilometers in size that occur in response to changing mantle convection patterns.

Grimm, Robert E.↗
DOE OSTI2024

Chemomechanics in alloy phase stability

We describe a first-principles statistical mechanics method to calculate the free energies of crystalline alloys that depend on temperature, composition, and strain. The approach relies on an extension of the alloy cluster expansion to include an explicit dependence on homogeneous strain in addition to site occupation variables that track the degree of chemical ordering. The method is applied to the Si-Ge binary alloy and is used to calculate free energies that describe phase stability under arbitrary epitaxial constraints. We find that while the incoherent phase diagram (in which coexisting phases are not affected by coherency constraints) hosts a miscibility gap, coherent phase equilibrium predicts ordering and negative enthalpies of mixing. Instead of chemical instability, the chemomechanical free energy exhibits instabilities along directions that couple the composition of the alloy with a volumetric strain order parameter. Furthermore, this has fundamental implications for phase field models of spinodal decomposition as it indicates the importance of gradient energy coefficients that couple gradients in composition with gradients in strain.

Materials Science↗
NASA NTRS1982

Radiation-induced defects in SiO2 as determined with XPS

An analytical method based on oxide/substrate intensity ratios is used to deduce the product of the atomic number density and electron mean free path as a function of depth, for the cases of device-quality gate oxides grown on Si substrates and irradiated with zero to 20 eV electrons during in situ X-ray photoelectron spectroscopy. These structures had been thinned stepwise to 25-60 A by means of a wet chemical depth-profiling procedure. Si(3+) species are formed in the Si/SiO2 interface region, and their observation during their relaxation and annihilation is correlated with strained Si-O-Si bonds. The observation of bond of cleavage and bond strain gradients in these samples is used to extend silica devitrification models for the explanation of fixed oxide charge generation and interface states.

Grunthaner, F. J.↗
NASA NTRS1980

Cyclic plasticity and failure of structural components

An analytical approach for low-cycle fatigue prediction is presented. The approach combines a cyclic plasticity model with the finite element method and a damage accumulation criterion for ductile metals. The cyclic plasticity model is based on the concept of the combination of several yield surfaces. The surfaces are related to the material uniaxial stress-strain curve idealized by piecewise linear segments. The damage criterion is based on the Coffin-Manson formulae modified for the mean stress variation effect. It is extended to the multiaxial varying stress-strain field and applied for both the crack initiation and the crack growth processes. The stable slow crack growth rate is approximated by the damage accumulation gradient computed from the cracked finite element models. This procedure requires fatigue testing data of only smooth specimens under constant strain amplitudes. The present approach is illustrated by numerical examples of an aircraft wing stiffened panel subjected to compression, which causes material yielding and residual tension.

Kalev, I.↗
NASA NTRS1990

Modeling the pressure-strain correlation of turbulence: An invariant dynamical systems approach

The modeling of the pressure-strain correlation of turbulence is examined from a basic theoretical standpoint with a view toward developing improved second-order closure models. Invariance considerations along with elementary dynamical systems theory are used in the analysis of the standard hierarchy of closure models. In these commonly used models, the pressure-strain correlation is assumed to be a linear function of the mean velocity gradients with coefficients that depend algebraically on the anisotropy tensor. It is proven that for plane homogeneous turbulent flows the equilibrium structure of this hierarchy of models is encapsulated by a relatively simple model which is only quadratically nonlinear in the anisotropy tensor. This new quadratic model - the SSG model - is shown to outperform the Launder, Reece, and Rodi model (as well as more recent models that have a considerably more complex nonlinear structure) in a variety of homogeneous turbulent flows. Some deficiencies still remain for the description of rotating turbulent shear flows that are intrinsic to this general hierarchy of models and, hence, cannot be overcome by the mere introduction of more complex nonlinearities. It is thus argued that the recent trend of adding substantially more complex nonlinear terms containing the anisotropy tensor may be of questionable value in the modeling of the pressure-strain correlation. Possible alternative approaches are discussed briefly.

Speziale, Charles G.↗
NASA NTRS1991

Modelling the pressure-strain correlation of turbulence - An invariant dynamical systems approach

The modeling of the pressure-strain correlation of turbulence is examined from a basic theoretical standpoint with a view toward developing improved second-order closure models. Invariance considerations along with elementary dynamical systems theory are used in the analysis of the standard hierarchy of closure models. In these commonly used models, the pressure-strain correlation is assumed to be a linear function of the mean velocity gradients with coefficients that depend algebraically on the anisotropy tensor. It is proven that for plane homogeneous turbulent flows the equilibrium structure of this hierarchy of models is encapsulated by a relatively simple model which is only quadratically nonlinear in the anisotropy tensor. This new quadratic model - the SSG model - is shown to outperform the Launder, Reece, and Rodi model (as well as more recent models that have a considerably more complex nonlinear structure) in a variety of homogeneous turbulent flows. Some deficiencies still remain for the description of rotating turbulent shear flows that are intrinsic to this general hierarchy of models and, hence, cannot be overcome by the mere introduction of more complex nonlinearities. It is thus argued that the recent trend of adding substantially more complex nonlinear terms containing the anisotropy tensor may be of questionable value in the modeling of the pressure-strain correlation. Possible alternative approaches are discussed briefly.

Speziale, Charles G.↗
NASA NTRS1992

Turbulence: The chief outstanding difficulty of our subject

A review of interesting current topics in turbulence research is decorated with examples of popular fallacies about the behavior of turbulence. Topics include the status of the Law of the Wall, especially in compressible flow; analogies between the effects of Reynolds numbers, pressure gradient, unsteadiness and roughness change; the status of Kolmogorov's universal equilibrium theory and local isotropy of the small eddies; turbulence modelling, with reference to universality, pressure-strain modelling and the dissipation equation; and chaos. Fallacies include the mixing-length concept; the effect of pressure gradient on Reynolds shear stress; the separability of time and space derivatives; models of the dissipation equation; and chaos.

Bradshaw, Peter↗
NASA NTRS1993

Compression strength failure mechanisms in unidirectional composite laminates containing a hole

Experiments on graphite-epoxy laminated plates containing unloaded small holes show that these laminates are notch insensitive. That is, the uniaxial strength of these laminates with small holes exceeds the strength predicted by a point stress criterion using the stress concentration factor for the in-plane stress field. Laminates containing large holes exhibit notch sensitive behavior and consequently their strength is reasonably well predicted by the stress concentration effect. This hole size effect is manifested both in tension and in compression. Apparently, some mechanism must cause in-plane stress relief for laminates containing small holes. The purpose of this research was to study the influence of geometric nonlinearity on the micromechanical response of a filamentary composite material in the presence of a strain gradient caused by a discontinuity such as a hole. A mathematical model was developed at the micromechanical level to investigate this geometrically nonlinear effect.

Johnson, Eric R.↗
DOE OSTI2023

Lamellar fluctuations melt ferroelectricity.

We consider a standard Ginzburg-Landau model of a ferroelectric whose electrical polarization is coupled to gradients of elastic strain. At the harmonic level, such flexoelectric interaction is known to hybridize acoustic and optic phonon modes and lead to phases with modulated lattice structures that precede the state with spontaneously broken inversion symmetry. Here, we use the self-consistent phonon approximation to calculate the effects of thermal and quantum polarization fluctuations on the bare hybridized modes to show that such long-range modulated order is unstable at all temperatures. We discuss the implications for the nearly ferroelectric SrTiO3 and KTaO3, and we propose that these systems are melted versions of an underlying modulated state that is dominated by nonzero momentum thermal fluctuations except at the very lowest temperatures.

Guzman-Verri, G. G.↗
DOE OSTI2025

Ion Transport in Concentrated Crosslinked Solid Polymer Electrolytes

Crosslinking polymers is a common approach to create mechanically stable solid materials such as polymer electrolytes for lithium batteries. In conventional liquid electrolytes, the solvent molecules move freely to accommodate the field-induced motion of ions. However, in crosslinked polymer electrolytes, the rearrangement of polymer segments is constrained by the deformation limits of the network. Herein, we develop a new transport model that accounts for both the formation of concentration gradients and the elasticity of the electrolyte. The elasticity is incorporated by adding an additional term related to the entropy of crosslinked strands to the electrochemical potential of the salt. The resulting Crosslink Model contains two adjustable parameters: $\mathcal{N}$, the average number of monomers in a strand, and λ crit , the maximum strain the network can sustain. These solid-like constraints produce singularities in the governing transport equations, fundamentally altering the concentration profiles. Plateaus in salt concentrations emerge near the electrodes, and network elasticity introduces a strain overpotential. When compared to a Baseline Model ($\mathcal{N}$ → ∞, equivalent to concentrated solution theory), which predicts steepest gradients near the electrodes, both models yield similar current–voltage relationships. Model predictions are compared to electrochemical data for a poly(ethylene oxide)-based crosslinked polymer electrolyte.

Patel, Vivaan [University of California, Berkeley,↗
NASA NTRS1992

The present status and future direction of algebraic Reynolds stress models

The need for algebraic models and deficiencies of linear gradient models are presented. Classical algebraic Reynolds stress models are discussed with nonlinear stress-strain relations. Finally, the models are critiqued and some new developments are shown. All results are in viewgraph format.

Taulbee, Dale B.↗