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At least 37 records · Page 2

Implementation and experimental validation of nonlocal damage in a large-strain elasto-viscoplastic FFT-based framework for predicting ductile fracture in 3D polycrystalline materials

Ductile materials, such as metal alloys, can undergo substantial deformation before failure. Additionally, these materials are usually of polycrystalline composition and exhibit strongly anisotropic behavior at small length scales. Previously developed fast Fourier transform (FFT)-based models can model ductile fracture of isotropic materials or the elastic–plastic behavior of anisotropic polycrystalline materials; however, there remains a need to couple both capabilities. This work extends a large-strain FFT-based crystal plasticity model to simulate ductile fracture of polycrystalline materials. In this work, a triaxiality-based continuum damage mechanics (CDM) formulation is incorporated into a large-strain elasto-viscoplastic FFT (LS-EVPFFT) framework. The CDM formulation is augmented with an integral-based nonlocal regularization approach that correctly handles gas-phase material necessary to model unconstrained surfaces. To validate the damage-enabled LS-EVPFFT framework, mesoscale copper tensile coupons were machined using microwire electrical discharge machining and experimentally characterized using electron backscatter diffraction. In-situ optical digital image correlation was performed during uniaxial testing to provide a side-by-side comparison of the experimental and computational strain fields and stress–strain responses. The damage-enabled LS-EVPFFT framework can simulate the complete macroscopic stress–strain response of ductile polycrystals to failure. The model reproduces necking behavior that qualitatively agrees with experimental observations. By leveraging the relatively low computational cost of the damage-enabled LS-EVPFFT framework, the framework presented here allows the ductile fracture response of 3D polycrystalline materials to be tractably predicted.

36 MATERIALS SCIENCE↗

Room Temperature Quasi-static Characterization and Constitutive Model Parametrization of Flexible Polyurethane Foams of Different Densities Loaded in Different Orientations

This report describes the efforts to characterize and model General Plastics TF6070 and EF4000 flexible polyurethane foams under room temperature, large deformation quasi-static cyclic mechanical loading conditions. Densities from three to fifteen pound per cubic foot (PCF) are examined, which correspond to relative densities of approximately 4 to 20%. These foams are open cell structured and flexible at room temperature with a glass transition transition less than -30°C, and they fully recover their original shape when unloaded (at room temperature). Uniaxial compression tests were conducted with accompanying lateral image series for Digital Image Correlation (DIC) analysis with the goal of extracting transverse strain responses. Due to difficulties with DIC analysis at large strains, lateral strains were instead extracted for each test via edge tracking. The experimental results exhibit a nonlinear elastic response and anisotropic material behavior (particularly for the lower densities). Some hysteresis is observed that is different between the first and subsequent cycles of deformation indicating both a small degree of permanent damage (reduced stiffness during reloading) and viscoelasticity. These inelastic mechanisms are not considered in the modeling and calibration in this report. This work considers only the rate independent, room temperature foam behavior. Individual foam densities were calibrated for loading in two directions, parallel and perpendicular to the foam bubble rise direction, since the mechanical behavior is different in these two directions. The Flex Foam constitutive model was used for all parameterizations despite the fact that the model is isotropic. A review of the constitutive model is given as well as necessary data reduction procedures to parameterize it for each foam density and orientation are discussed. Finally, two different parameterizations are developed that take the undeformed foam density as an input that span all densities considered. These two parameterized models represent foams loaded in the rise and transverse directions respectively. We summarize the assumptions and limitations of the parameterizations provided in this report to guide analysis choices with them. All parameterizations presented herein have the following traits, room temperature, rate independent, damage-free, and non-dissipative . Isotropy (even if they are representing anisotropic data). Supplied Sierra Solid Mechanics Flex Foam Model Inputs are in units: pounds, inches, Celsius, and seconds

36 MATERIALS SCIENCE↗

Deformation and fatigue behavior of SSME turbopump blade materials

Directionally solidified and single crystal superalloys which are intended for use as turbopump blade materials are anisotropic both elastically and plastically. Therefore, isotropic constitutive models must be modified. Several models which are now being developed are based on metallurgical theories of deformation in these types of alloys. However, these theories have not been fully justified, and the temperature and strain regimes over which they may be valid are poorly defined. The objective of this work is to study the deformation behavior of the alloys, in order to determine the validity of these models and to thereby support the ongoing research efforts in solid mechanics.

Milligan, Walter W.↗

PYROLYTIC GRAPHITE ROCKET THRUST CHAMBER INVESTIGATION PROJECT. MONTHLY LETTER

This is the Monthly Letter Progress Report for the eighth month of a twelve month technical study directed toward the following objectives: A. Determining analytically and experimentally the feasibility and attractiveness of using free-standing pyrolytic graphite for a radiation cooled liquid rocket thrust chamber and exit nozzle for space application. B. Establishing through analysis and experimental demonstration, a set of design principles to facilitate the design of a reliable pyrolytic graphite thrust chamber assembly for a specific range of operating conditions. C. Demonstrate by means of test firings of complete thrust chamber assemblies, the validity of the design data and principles developed during the program. Preparations have been completed for test firing the two 100 lb. thrust Boron Pyralloy chambers at Marquardt during the first week in March 1962. These two chambers will first be static pressure checked with water to a pressure of 135 psig. The chambers will then be test fired with N204/N2H4-MMH propellants . Test samples of eleven different pyrolytic carbide and nitride materials have been ordered for high temperature oxidation tests and should be delivered by the end of March for evaluation in the plasma torch facility. The specific materials ordered in free- standing condition in thicknesses from 0.030 inch to 0.065 inch were as follows: (a) Pyrolytic graphite (on hand) (b) Pyrolytic graphite-boron alloy (on hand) (c) Pyrolytic graphite-tungsten alloy (d)Boron nitride (e) Titanium nitride (f) Silicon carbide (g) Titanium carbide (h) Zirconium carbide (i) Hafnium carbide (j) Niobium carbide (k) Tantalum carbide (l) High density (1 1-90) graphite (m) High density graphite (heat treated) These materials were ordered from Raytheon, HTM, and American Meta 1 Products . A summary of the available data on the oxidation rates of pyrolytic materials under slow air and rocket motor conditions is shown in Figure 1. High Temperature Materials, Inc. has been contacted relative to providing Pyrographite thrust chambers with extra-thick walls . They believe they can deliver chambers with substantially thicker walls than were possible a short time ago. Such a configuration, with acceptable residual stresses, would provide a longer firing life since it is ultimately limited by the oxidation rate of the chamber wall material. Stress and structural studies have continued. The analytical stress studies point out some of the problems associated with the experimental determination of the elastic constants of this highly anisotropic material. Further analysis may shed light on improved techniques for making these experimental determinations. The large potential weight saving available with the use of pyrolytic graphite as a thrust chamber wall material in a radiation cooled rocket motor has been calculated and is shown graphically in Figure 2. Figure A presents the program progress schedule and the actual expenditures as of 7 February 1962.

ROCKET ENGINE↗

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↗

Micromechanics of cyclic deformation in SSME turbopump blade materials

Current and candidate Space Shuttle Main Engine (SSME) turbopump blade materials are anisotropic, both in their elastic and plastic response. The major objective is to characterize the plastic deformation behavior of a typical single crystal nickel-base superalloy, PWA 1480, and to use this information to help guide the development of anisotropic constitutive models.

Milligan, Walter W.↗

Multi-Scale Analysis of Effective Mechanical Properties of 3D Woven Composite Materials

This work aims to compute and analyze the mechanical properties of 3D woven composite materials that share the same yarn structure but differ in their matrix porosity and fiber volume fraction. Assuming linear elastic behavior, the software PuMA, developed at NASA, was used to characterize the different composites from their constituents' data averaging their elastic properties in three main directions to obtain their effective orthotropic mechanical properties. This was performed in three steps: firstly, the different phases (yarns/matrix) were analyzed as anisotropic materials separately at the micro-scale; then, the results from these analyses were homogenized and used to obtain the anisotropic elasticity tensor at the meso-scale for the different woven materials; and finally, assuming orthotropic mechanical behavior for the unit cell the mechanical properties were obtained at the macro-scale. The 3D woven composite materials selected for this study are made of phenolic resin with porosity values between 0 and 0.6, and resin infiltrated carbon fiber with volume fractions between 0.5 and 0.9 for the yarns. Results from PuMA were validated with external FEA simulations for the non-porous 3D woven material with a fiber volume fraction of 0.9 in the yarns. Results will be included in the final paper after completing the study detailed in Section II.

Sergio Fraile Izquierdo↗

A hybrid-stress finite element for linear anisotropic elasticity

Standard assumed displacement finite elements with anisotropic material properties perform poorly in complex stress fields such as combined bending and shear and combined bending and torsion. A set of three dimensional hybrid-stress brick elements were developed with fully anisotropic material properties. Both eight-node and twenty-node bricks were developed based on the symmetry group theory of Punch and Atluri. An eight-node brick was also developed using complete polynomials and stress basis functions and reducing the order of the resulting stress parameter matrix by applying equilibrium constraints and stress compatibility constraints. Here the stress compatibility constraints must be formulated assuming anisotropic material properties. The performance of these elements was examined in numerical examples covering a broad range of stress distributions. The stress predictions show significant improvement over the assumed displacement elements but the calculation time is increased.

Fly, Gerald W.↗

Highly Extensible X-ray Diffraction Toolkit

This code has been previous released as open source under LLNL-CODE-529294. The HEXRD program comprises a library of X-ray diffraction analysis tools and a stand-alone GUI application. While there are many software packages that provide similar capabilities, HEXRD was designed to provide an extremely flexible and extensible basis for describing a broad array of X-ray diffraction instruments; this includes both mono- and poly-chromatic modalities as well as poly- and single-crystal samples. The high-level objects include Material: an abstraction for defining crystalline materials, including unit cell parameters and anisotropic elastic moduli Imageseries: an interface for series of diffraction images containing one or more frames, including provisions for metadata. Instrument: an abstraction of an X-ray diffraction instrument including support for the definition of multiple detector elements as well as powder, Laue, and mono-chromatic single/multi-grain diffraction analysis modalities (including attendant calibration routines). The hexrdgui package is a standalone PySide2/Qt5 GUI built on top of hexrd. The 0.8.1 release includes various bug fixes as well as some new functionality in the GUI, including: o Enhancements to the import tools for LLNL diffraction instruemtns (PXRDIP and TARDIS) o The ability to save 1-d LeBail fits of integrated diffraction spectra.

Barton, NathanR.↗

Secondary orientation effects in a single crystal superalloy under mechanical and thermal loads

The nickel-base single crystal superalloy PWA 1480 is a candidate blading material for the advanced turbopump development program of the SSME. In order to improve thermal fatigue resistance of the turbine blades, the single crystal superalloy PWA 1480 is grown along the low modulus zone axes (001) crystal orientation by a directional solidification process. Since cubic single crystal materials such as PWA 1480 exhibit anisotropic elastic behavior, the stresses developed within the single crystal superalloy due to mechanical and thermal loads are likely to be affected by the exact orientation of the secondary crystallographic direction with respect to the geometry of the turbine blade. The effects of secondary crystal orientation on the elastic response of single crystal PWA 1480 superalloy were investigated.

Kalluri, Sreeramesh↗

Deformation and stress response of composite laminated shells under internal pressure

This paper presents a theoretical study of the response of filament wound composite shells under internal pressure. Each layer of the material is generally cylindrically anisotropic. By using cylindrically anisotropic elasticity field equations and Lekhnitskii's stress functions, a system of sixth-order ordinary differential equations is obtained. The general expressions for the stresses and displacements in the laminated composite shells under internal pressure are discussed. Two composite systems, graphite/epoxy and glass/epoxy, are selected to demonstrate the influence of degree of material anisotropy and fiber orientations on the axial and induced twisting deformation. Stress distributions of (45/-45)s symmetric angle-ply fiber-reinforced laminated shells are shown to illustrate the effect of radius-to-thickness ratio.

Yuan, F. G.↗

Determining elastic anisotropy of textured polycrystals using resonant ultrasound spectroscopy

Abstract Polycrystalline materials can have complex anisotropic properties depending on their crystallographic texture and crystal structure. In this study, we use resonant ultrasound spectroscopy (RUS) to nondestructively quantify the elastic anisotropy in extruded aluminum alloy 1100-O, an inherently low-anisotropy material. Further, we show that RUS can be used to indirectly provide a description of the material’s texture, which in the present case is found to be transversely isotropic. By determining the entire elastic tensor, we can identify the level and orientation of the anisotropy originated during extrusion. The relative anisotropy of the compressive (c 11 /c 33 ) and shear (c 44 /c 66 ) elastic constants is 1.5% ± 0.5% and 5.7% ± 0.5%, respectively, where the elastic constants (five independent elastic constants for transversely isotropic) are those associated with the extrusion axis that defines the symmetry of the texture. These results indicate that the texture is expected to have transversely isotropic symmetry. This finding is confirmed by two additional approaches. First, we confirm elastic constants and the degree of elastic anisotropy by direct sound velocity measurements using ultrasonic pulse echo. Second, neutron diffraction (ND) data confirm the symmetry of the bulk texture consistent with extrusion-induced anisotropy, and polycrystal elasticity simulations using the elastic self-consistent model with input from ND textures and aluminum single-crystal elastic constants render similar levels of polycrystal elastic anisotropy to those measured by RUS. We demonstrate the ability of RUS to detect texture-induced anisotropy in inherently low-anisotropy materials. Therefore, as many other common materials have intrinsically higher elastic anisotropy, this technique should be applicable for similar levels of texture, providing an efficient general diagnostic and characterization tool.

36 MATERIALS SCIENCE↗

Recent Developments to the Porous Microstructure Analysis (PuMA) Software

Introduction The Porous Microstructure Analysis (PuMA) software is an open source framework for image-based simulation, primarily used to determine effective properties based on material microstructure. PuMA was originally developed for the study of NASA thermal protection materials; however, many of the solvers in PuMA have applicability to a broad range of materials science applications. PuMA version 3.2 computes material surface area, pore diameters, effective thermal conductivity, continuum and rarefied tortuosity, and permeability. For anisotropic materials, PuMA can estimate material orientation and compute anisotropic thermal conductivity and elasticity. In this talk, a brief overview of the PuMA software and underlying methods will be presented, as well as some recent and ongoing developments, including the use of immersed boundary methods for image-based simulation and the development of a new weave segmentation tool, called TomoSAM. Cut-Cell method for heat and mass transfer For simulations on complex microstructures, traditional unstructured meshing techniques often prove to be difficult and time-intensive. Voxel-based solvers, which represent the surface as a staircase structure, are relatively simple to implement but can lose accuracy when feature resolution is poor. In this work, we present a novel 3D cut-cell method for solving the variable coefficient Poisson equation on complex microstructures, suitable for the determination of effective thermal conductivity or tortuosity of a material. The method uses a Marching Cubes/Marching Squares surface reconstruction to create cut-cells and determine geometric quantities. A flux-correction method is extended to 3D, with least squares gradient reconstruction, to solve for the boundary fluxes in the cut-cells. Verification cases show the solver achieves globally 2nd order accuracy on complex microstructures. TomoSAM TomoSAM, a module of the PuMA software, has been developed as a plugin for 3D Slicer, a software platform used for 3D image processing and visualization. It utilizes the Segment Anything Model (SAM), a deep learning model capable of identifying objects and generating image masks based on minimal user input. This feature enables efficient segmentation of complex 3D datasets, particularly of woven materials, from tomography or similar imaging methods, reducing the need for manual segmentation.

Tomography↗

Recent Developments to the Porous Microstructure Analysis (PuMA) Software

The Porous Microstructure Analysis (PuMA) software is an open source framework for image-based simulation, primarily used to determine effective properties based on material microstructure. PuMA was originally developed for the study of NASA thermal protection materials; however, many of the solvers in PuMA have applicability to a broad range of materials science applications. PuMA version 3.2 computes material surface area, pore diameters, effective thermal conductivity, continuum and rarefied tortuosity, and permeability. For anisotropic materials, PuMA can estimate material orientation and compute anisotropic thermal conductivity and elasticity. In this talk, a brief overview of the PuMA software and underlying methods will be presented, as well as some recent and ongoing developments, including the use of immersed boundary methods for image-based simulation and the development of a new weave segmentation tool, called TomoSAM. Cut-Cell method for heat and mass transfer For simulations on complex microstructures, traditional unstructured meshing techniques often prove to be difficult and time-intensive. Voxel-based solvers, which represent the surface as a staircase structure, are relatively simple to implement but can lose accuracy when feature resolution is poor. In this work, we present a novel 3D cut-cell method for solving the variable coefficient Poisson equation on complex microstructures, suitable for the determination of effective thermal conductivity or tortuosity of a material. The method uses a Marching Cubes/Marching Squares surface reconstruction to create cut-cells and determine geometric quantities. A flux-correction method is extended to 3D, with least squares gradient reconstruction, to solve for the boundary fluxes in the cut-cells. Verification cases show the solver achieves globally 2nd order accuracy on complex microstructures. TomoSAM TomoSAM, a module of the PuMA software, has been developed as a plugin for 3D Slicer, a software platform used for 3D image processing and visualization. It utilizes the Segment Anything Model (SAM), a deep learning model capable of identifying objects and generating image masks based on minimal user input. This feature enables efficient segmentation of complex 3D datasets, particularly of woven materials, from tomography or similar imaging methods, reducing the need for manual segmentation.

Tomography↗

Polycrystal thermo-elasticity revisited: theory and applications

The self-consistent (SC) theory is the most commonly used mean-field homogenization method to estimate the mechanical response behavior of polycrystals based on the knowledge of the properties and orientation distribution of constituent single-crystal grains. The original elastic SC method can be extended to thermo-elasticity by adding a stress-free strain to an elastic constitutive relation that expresses stress as a linear function of strain. With the addition of this independent term, the problem remains linear. Although the thermo-elastic self-consistent (TESC) model has important theoretical implications for the development of self-consistent homogenization of non-linear polycrystals, in this paper, we focus on TESC applications to actual thermo-elastic problems involving non-cubic (i.e. thermally anisotropic) materials. To achieve this aim, here we provide a thorough description of the TESC theory, which is followed by illustrative examples involving cooling of polycrystalline non-cubic metals. The TESC model allows studying the effect of crystallographic texture and single-crystal elastic and thermal anisotropy on the effective thermo-elastic response of the aggregate and on the internal stresses that develop at the local level.

36 MATERIALS SCIENCE↗

Efficient Failure Probability Calculations and Modeling Interface Debonding in TRISO Particles with BISON

This document constitutes completion of the NEAMS milestone, which is titled Demonstrate efficiency improvements in TRISO failure probability calculations and the effect of debonding on fission product transport in TRISO fuel particles in Bison . In this report we present the development of the following: (1) the anisotropic elasticity model of pyrolytic carbon and extended material models using the local coordinate system for aspherical particle geometry; (2) a capability of modeling interface debonding in TRISO particles; and (3) an efficient high-fidelity approach to calculate the failure probability of TRISO particles. Benchmark problems and AGR-2 tests are used to verify the models and demonstrate these new capabilities.

36 MATERIALS SCIENCE↗

Self-Organized Stress Distributions in Polycrystalline Materials [Dissertation]

Understanding stress distributions in solid materials is complicated by the fact that most materials are polycrystalline in nature, with each crystal having an elastically anisotropic reaction to force. This study is to gain a better understanding on how external forces placed on a polycrystal are related to internal reactions within and between the grains. The hypothesis is that the stress distribution in porous to fully dense materials are self-organized based on strong contacts between and within the individual grains created by force chains. Force chains, commonly known in loaded granular materials, and could be the phenomenon that connect micro to macro deformation. Scale bridging measurements conducted through Raman spectroscopy, Atomic Force Microscopy, and Digital Image Correlation will be used to create stress maps, modulus maps, and elastic strain maps across a variety of geological and pharmaceutical polycrystals. When possible, the resulting maps will be compared to current homogenization schemes and a full field models. Finite element modeling will be used to assess whether the patterning seen in the experimental map is a reasonable approximation based on the orientation data of the samples used. A minimum of three publications is projected to be accomplished focusing each on a different method to experimentally test and analyze stress distributions.

36 MATERIALS SCIENCE↗

Effect of neighboring grain orientation on strain localization in slip bands in HCP materials

Particularly in plastically anisotropic crystals, such as hexagonal close packed (HCP) materials, plastic deformation is realized by slip acting in the small volumes within individual crystals. Here we extend a full field fast Fourier transform (FFT)-based elasto-viscoplastic formulation to simulate the development of a single slip band on either prismatic or basal planes spanning a crystal. Calculations of the strain and stress fields induced locally within the band and parent crystal, and ahead of the band/grain boundary junction in the neighboring crystal are analyzed as the slip band intensifies under increasing applied strain. We report a substantial influence of the crystallographic orientation of the nearest neighboring grain on the rate of slip band localization. Performing the analysis on two materials, CP-Ti and Mg, indicates that the strength of the material affects the rate of localization, with stronger materials tending to localize more easily. A slip band tip stress-based criterion is proposed for identifying the nearest neighbor orientations in which slip band transmission is possible and the likely slip system for which it occurs. This indicator is validated against experimental studies on commercially pure Ti, an Mg–Y alloy, and Ti–6Al–4V. Finally, we show that for low GB misorientations, the slip band is likely to transmit into another slip band of the same type in the neighbor grain, while for high GB misorientations, it is likely to transmit into one of a different type or to not transmit at all.

36 MATERIALS SCIENCE↗