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NASA NTRS2015

Representing Matrix Cracks Through Decomposition of the Deformation Gradient Tensor in Continuum Damage Mechanics Methods

A method is presented to represent the large-deformation kinematics of intraply matrix cracks and delaminations in continuum damage mechanics (CDM) constitutive material models. The method involves the additive decomposition of the deformation gradient tensor into 'crack' and 'bulk material' components. The response of the intact bulk material is represented by a reduced deformation gradient tensor, and the opening of an embedded cohesive interface is represented by a normalized cohesive displacement-jump vector. The rotation of the embedded interface is tracked as the material deforms and as the crack opens. The distribution of the total local deformation between the bulk material and the cohesive interface components is determined by minimizing the difference between the cohesive stress and the bulk material stress projected onto the cohesive interface. The improvements to the accuracy of CDM models that incorporate the presented method over existing approaches are demonstrated for a single element subjected to simple shear deformation and for a finite element model of a unidirectional open-hole tension specimen. The material model is implemented as a VUMAT user subroutine for the Abaqus/Explicit finite element software. The presented deformation gradient decomposition method reduces the artificial load transfer across matrix cracks subjected to large shearing deformations, and avoids the spurious secondary failure modes that often occur in analyses based on conventional progressive damage models.

Leone, Frank A., Jr.↗

DOE OSTI2022

A combined experimental and numerical approach that eliminates the non-uniqueness associated with the Johnson-Cook parameters obtained using inverse methods

Abstract Johnson-Cook constitutive model is a commonly used material model for machining simulations. The model includes five parameters that capture the initial yield stress, strain-hardening, strain-rate hardening, and thermal softening behavior of the material. These parameters are difficult to determine using experiments since the conditions observed during machining (such as high strain-rates of the order of $$10^5$$ 10 5 /sec - $$10^6$$ 10 6 /sec) are challenging to recreate in the laboratory. To address this problem, several researchers have recently proposed inverse approaches where a combination of experiments and analytical models are used to predict the Johnson-Cook parameters. The errors between the measured cutting forces, chip thicknesses and temperatures and those predicted by analytical models are minimized and the parameters are determined. In this work, it is shown that only two of the five Johnson-Cook parameters can be determined uniquely using inverse approaches. Two different algorithms, namely, Adaptive Memory Programming for Global Optimization (AMPGO) and Particle Swarm Optimization (PSO), are used for this purpose. The extended Oxley’s model is used as the analytical tool for optimization. For determining a parameter’s value, a large range for each parameter is provided as an input to the algorithms. The algorithms converge to several different sets of values for the five Johnson-Cook parameters when all the five parameters are considered as unknown in the optimization algorithm. All of these sets, however, yield the same chip shape and cutting forces in FEM simulations. Further analyses show that only the strain-rate and thermal softening parameters can be determined uniquely and the three parameters present in the strain-hardening term of the Johnson-Cook model cannot be determined uniquely using the inverse method. A combined experimental and numerical approach is proposed to eliminate this determine all parameters uniquely.

42 ENGINEERING↗

NASA NTRS1993

Evaluation of advanced materials through experimental mechanics and modelling

Composite materials have been frequently used in aerospace vehicles. Very often defects are inherited during the manufacture and damages are inherited during the construction and services. It becomes critical to understand the mechanical behavior of such composite structure before it can be further used. One good example of these composite structures is the cylindrical bottle of solid rocket motor case with accidental impact damages. Since the replacement of this cylindrical bottle is expensive, it is valuable to know how the damages affects the material, and how it can be repaired. To reach this goal, the damage must be characterized and the stress/strain field must be carefully analyzed. First the damage area, due to impact, is surveyed and identified with a shearography technique which uses the principle of speckle shearing interferometry to measure displacement gradient. Within the damage area of a composite laminate, such as the bottle of solid rocket motor case, all layers are considered to be degraded. Once a lamina being degraded the stiffness as well as strength will be drastically decreased. It becomes a critical area of failure to the whole bottle. And hence the stress/strain field within and around a damage should be accurately evaluated for failure prediction. To investigate the stress/strain field around damages a Hybrid-Numerical method which combines experimental measurement and finite element analysis is used. It is known the stress or strain at the singular point can not be accurately measured by an experimental technique. Nevertheless, if the location is far away from the singular spot, the displacement can be found accurately. Since it reflects the true displacement field locally regardless of the boundary conditions, it is an excellent input data for a finite element analysis to replace the usually assumed boundary conditions. Therefore, the Hybrid-Numerical method is chosen to avoid the difficulty and to take advantage of both experimental technique and finite element analysis. Experimentally, the digital image correlation technique is employed to measure the displacement field. It is done by comparing two digitized images, before and after loading. Numerically, the finite element program, ABAQUS (version 5.2), is used to analyze the stress and strain field. It takes advantage of the high speed and huge memory size of modern supercomputer, CRAY Y-MP, at NASA Marshall Space Flight Center.

Yang, Yii-Ching↗

DOE OSTI2018

Case Studies in Meso-scale Research to Improve Engineering-Scale Predictions

At Idaho National Laboratory, we are building multiscale material modeling capabilities to help understand material behavior in a reactor. From the atomistic scale to the meso scale, and from the meso scale to the engineering scale, we seek improved models that are based on physical principles rather than on empirical fits. In this presentation, we describe three examples of this methodology in action.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2016

Thermal Ablation Modeling for Silicate Materials

A thermal ablation model for silicates is proposed. The model includes the mass losses through the balance between evaporation and condensation, and through the moving molten layer driven by surface shear force and pressure gradient. This model can be applied in ablation simulations of the meteoroid or glassy Thermal Protection Systems for spacecraft. Time-dependent axi-symmetric computations are performed by coupling the fluid dynamics code, Data-Parallel Line Relaxation program, with the material response code, Two-dimensional Implicit Thermal Ablation simulation program, to predict the mass lost rates and shape change. For model validation, the surface recession of fused amorphous quartz rod is computed, and the recession predictions reasonably agree with available data. The present parametric studies for two groups of meteoroid earth entry conditions indicate that the mass loss through moving molten layer is negligibly small for heat-flux conditions at around 1 MW/cm(exp. 2).

Ablators↗

DOE OSTI2023

Fragmentation Modeling with a Material Point Method [Slides]

Fragmentation modeling showing: development of critical modeling capability for safety; demonstration of crack opening of high explosives; modeling of fragmentation of brittle material; and emphasis on the important of modeling fragments for safety.

42 ENGINEERING↗

DOE OSTI2018

Room-Temperature Charpy Impact Property of 3D-Printed 15-5 Stainless Steel

In this study, the room-temperature Charpy impact property of 3D-printed 15-5 stainless steel was investigated by a combined experimental and finite element modeling approach. The experimentally measured impact energy is 10.85 ± 1.20 J/cm{sup 2}, which is comparable to the conventionally wrought and non-heat treated 15-5 stainless steel. In parallel to the impact test experiment, a finite element model using the Johnson–Cook material model with damage parameters was developed to simulate the impact test. The simulated impact energy is 10.46 J/cm{sup 2}, which is in good agreement with the experimental data. The fracture surface from the experimentally tested specimen suggests that the 3D-printed specimens undergo predominately brittle fracture.

36 MATERIALS SCIENCE↗

DOE OSTI2016

BISON Theory Manual The Equations behind Nuclear Fuel Analysis

BISON is a finite element-based nuclear fuel performance code applicable to a variety of fuel forms including light water reactor fuel rods, TRISO particle fuel, and metallic rod and plate fuel. It solves the fully-coupled equations of thermomechanics and species diffusion, for either 2D axisymmetric or 3D geometries. Fuel models are included to describe temperature and burnup dependent thermal properties, fission product swelling, densification, thermal and irradiation creep, fracture, and fission gas production and release. Plasticity, irradiation growth, and thermal and irradiation creep models are implemented for clad materials. Models are also available to simulate gap heat transfer, mechanical contact, and the evolution of the gap/plenum pressure with plenum volume, gas temperature, and fission gas addition. BISON is based on the MOOSE framework and can therefore efficiently solve problems using standard workstations or very large high-performance computers. This document describes the theoretical and numerical foundations of BISON.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Effects of growth substrate on the nucleation of monolayer MoTe 2

The discovery and characterization of two-dimensional (2D) materials beyond graphene has increased dramatically over the past decade with increasingly fine control over the growth dynamics of these materials. MoTe 2 represents a model material for studying phase change properties of 2D materials due to small energy differences between its 2H semiconducting phase and 1T' semimetallic phase. Although some substrates are demonstrated to be better than others for the wafer-scale growth of high quality MoTe 2 films, substrate effects on the nucleation and growth of MoTe 2 are still not well understood. Here, we grow monolayer MoTe 2 by converting MoO x thin films deposited on three different substrates: sapphire Al 2 O 3 (0001), amorphous SiO 2 , and amorphous AlO x , and examine the early stages of the conversion reaction to elucidate the substrate effects on the nucleation of MoTe 2 . We observe that the chemical composition of the substrate is more important than the surface topography and crystallinity of the substrate, with high quality monolayer 2H MoTe 2 formed on both Al 2 O 3 (0001) and AlO x in contrast to mixed phase 2H/1T' MoTe 2 formed on SiO 2 , as determined by Raman spectroscopy, X-ray photoelectron spectroscopy, and atomic force microscopy.

36 MATERIALS SCIENCE↗

DOE OSTI2019

ERO modeling and analysis of tungsten erosion and migration from a toroidally symmetric source in the DIII-D divertor

A toroidally symmetric tungsten ring inserted in the lower outer divertor of DIII-D was exposed to 25 repeated, attached L-mode shots in reverse- B t configuration. Radial profiles of the W gross erosion flux inferred in situ from spectroscopic measurements of the WI line (400.9 nm) during these experiments are well reproduced by ERO-D3D simulations of carbon and tungsten impurity erosion, transport and redeposition in the outer divertor region. Tungsten gross erosion is mainly induced by physical sputtering of tungsten by carbon impurities. The outward radial transport of carbon impurities in the outer divertor is shown to be mainly governed by E × B drifts in the sheath region. In addition, the erosion and redeposition of carbon on tungsten, induced by the implantation of carbon into tungsten modeled with the homogeneous mixed material model, increases the effective flux of carbon impurities onto the tungsten ring (carbon recycling on tungsten). The dynamics of carbon implantation in tungsten is shown to be consistent with the plasma shot duration in DIII-D. Moreover, it is shown that the localized deposition of tungsten measured experimentally in the outboard region away from the tungsten ring is caused by the long-range radial transport of tungsten impurities in the outer divertor region induced by the interplay between poloidal and radial E × B drifts. Such experimental measurements might provide direct quantitative estimations of tungsten net erosion. In conclusion, the modeling and analysis of carbon and tungsten erosion and redeposition presented in this paper demonstrates that various physical mechanisms and their synergistic effects need to be taken into account to accurately describe erosion, transport and redeposition of impurities in tokamak divertors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1982

On a study of the /Delta T/c and C/asterisk/ integrals for fracture analysis under non-steady creep

Applications of a vector quantity, path-independent integral which has an energy interpretation to the characterization of crack-tip fields in the range from fast to slow crack propagation are examined. The crack tip characterization parameter is defined in terms of a conservation integral for an area around the crack tip in a two-dimensional cracked body. The actual physical interpretation of the parameter is shown to be the difference in crack lengths displayed by two identical bodies which have equal load histories. A steady-state value is obtained for the parameter for cases of steady-state creep and is shown to be related to the standard path-independent integral for macroscopic self-similar crack growth under mode I conditions. A finite element model is developed for viscoplastic material models, using an initial strain approach with steps in a size employed in tangent stiffness methods.

Stonesifer, R. B.↗

NASA NTRS2003

A Tabletop Tool for Modeling Life Support Systems

This paper describes the development plan for a comprehensive research and diagnostic tool for aspects of advanced life support systems in space-based laboratories. Specifically it aims to build a high fidelity tabletop model that can be used for the purpose of risk mitigation, failure mode analysis, contamination tracking, and testing reliability. We envision a comprehensive approach involving experimental work coupled with numerical simulation to develop this diagnostic tool. It envisions a 10% scale transparent model of a space platform such as the International Space Station that operates with water or a specific matched index of refraction liquid as the working fluid. This allows the scaling of a 10 ft x 10 ft x 10 ft room with air flow to 1 ft x 1 ft x 1 ft tabletop model with water/liquid flow. Dynamic similitude for this length scale dictates model velocities to be 67% of full-scale and thereby the time scale of the model to represent 15% of the full- scale system; meaning identical processes in the model are completed in 15% of the full- scale time. The use of an index matching fluid (fluid that matches the refractive index of cast acrylic, the model material) allows making the entire model (with complex internal geometry) transparent and hence conducive to non-intrusive optical diagnostics. So using such a system one can test environment control parameters such as core flows (axial flows), cross flows (from registers and diffusers), potential problem areas such as flow short circuits, inadequate oxygen content, build up of other gases beyond desirable levels, test mixing processes within the system at local nodes or compartments and assess the overall system performance. The system allows quantitative measurements of contaminants introduced in the system and allows testing and optimizing the tracking process and removal of contaminants. The envisaged system will be modular and hence flexible for quick configuration change and subsequent testing. The data and inferences from the tests will allow for improvements in the development and design of next generation life support systems and configurations.

Ramachandran, N.↗

NASA NTRS2005

Space Laboratory on a Table Top: A Next Generative ECLSS design and diagnostic tool

This paper describes the development plan for a comprehensive research and diagnostic tool for aspects of advanced life support systems in space-based laboratories. Specifically it aims to build a high fidelity tabletop model that can be used for the purpose of risk mitigation, failure mode analysis, contamination tracking, and testing reliability. We envision a comprehensive approach involving experimental work coupled with numerical simulation to develop this diagnostic tool. It envisions a 10% scale transparent model of a space platform such as the International Space Station that operates with water or a specific matched index of refraction liquid as the working fluid. This allows the scaling of a 10 ft x 10 ft x 10 ft room with air flow to 1 ft x 1 ft x 1 ft tabletop model with water/liquid flow. Dynamic similitude for this length scale dictates model velocities to be 67% of full-scale and thereby the time scale of the model to represent 15% of the full- scale system; meaning identical processes in the model are completed in 15% of the full- scale-time. The use of an index matching fluid (fluid that matches the refractive index of cast acrylic, the model material) allows making the entire model (with complex internal geometry) transparent and hence conducive to non-intrusive optical diagnostics. So using such a system one can test environment control parameters such as core flows (axial flows), cross flows (from registers and diffusers), potential problem areas such as flow short circuits, inadequate oxygen content, build up of other gases beyond desirable levels, test mixing processes within the system at local nodes or compartments and assess the overall system performance. The system allows quantitative measurements of contaminants introduced in the system and allows testing and optimizing the tracking process and removal of contaminants. The envisaged system will be modular and hence flexible for quick configuration change and subsequent testing. The data and inferences from the tests will allow for improvements in the development and design of next generation life support systems and configurations. Preliminary experimental and modeling work in this area will be presented. This involves testing of a single inlet-exit model with detailed 3-D flow visualization and quantitative diagnostics and computational modeling of the system.

Ramachandran, N.↗

DOE OSTI2016

Materials Characterization using the Facilities of the Center for Synchrotron Radiation Research and Instrumentation (CSRRI), a NSUF Partner Facility

Advanced nuclear energy systems are envisioned to operate at high temperatures, high burn-up, harsh neutron irradiation, and corrosive environments. New materials and nuclear fuels with improved performance, safety and reliability are needed for the increasingly demanding operating conditions. The fundamental challenge in developing new materials with improved irradiation, temperature, and corrosion resistance is to understand and control chemical and physical phenomena in complex systems over multiple time and length scales. Solving these scientific and technical challenges will require an integrated approach of all available computational and experimental capabilities. This talk will focus on the application of synchrotron radiation techniques to characterize materials of interest to nuclear material science at the facilities operated by the Center For Synchrotron Radiation Research and Instrumentation (CSRRI) at the Illinois Institute of Technology. The CSRRI is a partner facility with the U. S. Department of Energy's Nuclear Science User Facility (NSUF). Using the CSRRI facilities, such as the Materials Research Collaborative Access Team (MRCAT) beamline, we can study the materials science of irradiated and model materials to improve the understanding of the performance of materials in nuclear reactors. (author)

36 MATERIALS SCIENCE↗

DOE OSTI2017

Materials Characterization using the Center For Synchrotron Radiation Research and Instrumentation (CSRRI), a NSUF Partner Facility

Demanding operating conditions for advanced nuclear energy systems have called for a push in the development of new materials and nuclear fuels with improved performance, safety, and reliability. The development of new materials with improved irradiation, temperature, and corrosion resistance requires significant study of chemical and physical phenomena over multiple time and length scales. To do so, an integrated approach utilizing both computational and experimental capabilities will be required to overcome these scientific and technical challenges. This talk will focus on the application of synchrotron radiation techniques available for characterization of nuclear materials at the Center For Synchrotron Radiation Research and Instrumentation (CSRRI) at the Illinois Institute of Technology. The CSRRI is a partner facility with the U.S. Department of Energy's Nuclear Science User Facility (NSUF), and includes the Materials Research Collaborative Access Team (MRCAT) beam line at Argonne National Laboratory. Using the capabilities of CSRRI, we can study the materials science of irradiated and model materials to improve our understanding of the performance of materials used in nuclear reactors. Current examples of each technique will be discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Formulation and validation of a reduced order model of 2D materials exhibiting a two-phase microstructure as applied to graphene oxide [Formulation and validation of a reduced order model of 2D materials exhibiting a two-phase microstructure]

Novel 2D materials, e.g., graphene oxide (GO), are attractive building blocks in the design of advanced materials due to their reactive chemistry, which can enhance interfacial interactions while providing good in-plane mechanical properties. Recent studies have hypothesized that the randomly distributed two-phase microstructure of GO, which arises due to its oxidized chemistry, leads to differences in nano- vs meso–scale mechanical responses. However, this effect has not been carefully studied using molecular dynamics due to computational limitations. Herein, a continuum mechanics model, formulated based on density functional based tight binding (DFTB) constitutive results for GO nano-flakes, is establish for capturing the effect of oxidation patterns on the material mechanical properties. GO is idealized as a continuum heterogeneous two-phase material, where the mechanical response of each phase, graphitic and oxidized, is informed from DFTB simulations. A finite element implementation of the model is validated via MD simulations and then used to investigate the existence of GO representative volume elements (RVE). We find that for the studied GO, an RVE behavior arises for monolayer sizes in excess to 40 nm. Moreover, we reveal that the response of monolayers with two main different functional chemistries, epoxide-rich and hydroxyl–rich, present distinct differences in mechanical behavior. In addition, we explored the role of defect density in GO, and validate the applicability of the model to larger length scales by predicting membrane deflection behavior, in close agreement with previous experimental and theoretical observations. As such the work presents a reduced order modeling framework applicable in the study of mechanical properties and deformation mechanisms in 2D multiphase materials.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Stress Birth and Death: Disruptive Computational Mechanics and Novel Diagnostics for Fluid-to-Solid Transitions

Many materials of interest to Sandia transition from fluid to solid or have regions of both phases coexisting simultaneously. Currently there are, unfortunately, no material models that can accurately predict this material response. This is relevant to applications that "birth stress" related to geoscience, nuclear safety, manufacturing, energy production and bioscience. Accurately capturing solidification and residual stress enables fully predictive simulations of the evolving front shape or final product. Accurately resolving flow of proppants or blood could reduce environmental impact or lead to better treatments for heart attacks, thrombosis, or aneurism. We will address a science question in this proposal: When does residual stress develop during the critical transition from liquid to solid and how does it affect material deformation? Our hypothesis is that these early phases of stress development are critical to predictive simulation of material performance, net shape, and aging. In this project, we use advanced constitutive models with yield stress to represent both fluid and solid behavior simultaneously. The report provides an abbreviated description of the results from our LDRD "Stress Birth and Death: Disruptive Computational Mechanics and Novel Diagnostics for Fluid-to-Solid Transitions," since we have written four papers that document the work in detail and which we reference. We give highlights of the work and describe the gravitationally driven flow visualization experiment on a model yield stress fluid, Carbopol, at various concentrations and flow rates. We were able to collapse the data on a single master curve by showing it was self-similar. We also describe the Carbopol rheology and the constitutive equations of interest including the Bingham-Carreau-Yasuda model, the Saramito model, and the HB-Saramito model including parameter estimation for the shear and oscillatory rheology. We present several computational models including the 3D moving mesh simulations of both the Saramito models and Bingham-Carreau-Yasuda (BCY) model. We also show results from the BCY model using a 3D level set method and two different ways of handling reduced order Hele-Shaw modeling for generalized Newtonian fluids. We present some first ever two-dimensional results for the modified Jeffries Kamani-Donley-Rogers constitutive equation developed during this project. We include some recent results with a successful Saramito-level set coupling that allows us to tackle problems with complex geometries like mold filling in a thin gap with an obstacle, without the need for remeshing or remapping. We report on some experiments for curing systems where fluorescent particles are used to track material flow. These experiments were carried out in an oven on Sylgard 184 as a model polymerizing system. We conclude the report with a summary of accomplishments and some thoughts on follow-on work.

36 MATERIALS SCIENCE↗

NASA NTRS1999

A Hysteresis Model for Piezoceramic Materials

This paper addresses the modeling of nonlinear constitutive relations and hysteresis inherent to piezoceramic materials at moderate to high drive levels. Such models are, necessary to realize the, full potential of the materials in high performance control applications, and a necessary prerequisite is the development of techniques which permit control implementation. The approach employed here is based on the qualification of reversible and irreversible domain wall motion in response to applied electric fields. A comparison with experimental data illustrates that because the resulting ODE model is physics-based, it can be employed for both characterization and prediction of polarization levels throughout the range of actuator operation. Finally, the ODE formulation is amenable to inversion which facilitates the development of an inverse compensator for linear control design.

Smith, Ralph C.↗