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Mathematical Foundations for Nonlocal Interface Problems: Multiscale Simulations of Heterogeneous Materials (Final LDRD Report)

D'Elia, Marta D.; Bochev, Pavel B.; Foster, John E.; Glusa, Christian A.; Gulian, Mamikon G.; Gunzburger, Max G.; Trageser, Jeremy T.; Kuhlman, Kristopher L.; Martinez, Mario A.; Najm, H.N.; Silling, Stewart A.; Tupek, Michael T.; Xu, Xiao X.

Nonlocal models provide a much-needed predictive capability for important Sandia mission applications, ranging from fracture mechanics for nuclear components to subsurface flow for nuclear waste disposal, where traditional partial differential equations (PDEs) models fail to capture effects due to long-range forces at the microscale and mesoscale. However, utilization of this capability is seriously compromised by the lack of a rigorous nonlocal interface theory, required for both application and efficient solution of nonlocal models. To unlock the full potential of nonlocal modeling we developed a mathematically rigorous and physically consistent interface theory and demonstrate its scope in mission-relevant exemplar problems.

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Sierra/SolidMechanics 5.10 Verification Tests Manual

Bergel, Guy L.; Beckwith, Frank B.; Buche, Michael R.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Shelton, Timothy S.; Thomas, Jesse D.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

Presented in this document is a small portion of the tests that exist in the Sierra/SolidMechanics (Sierra/SM) verification test suite. Most of these tests are run nightly with the Sierra/SM code suite, and the results of the test are checked versus the correct analytical result. For each of the tests presented in this document, the test setup, a description of the analytic solution, and comparison of the Sierra/SM code results to the analytic solution is provided. Mesh convergence is also checked on a nightly basis for several of these tests. This document can be used to confirm that a given code capability is verified or referenced as a compilation of example problems. Additional example problems are provided in the Sierra/SM Example Problems Manual. Note, many other verification tests exist in the Sierra/SM test suite, but have not yet been included in this manual.

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Sierra/SolidMechanics 5.10 In-Development Manual

Bergel, Guy L.; Beckwith, Frank B.; Buche, Michael R.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.10 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

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Sierra/SolidMechanics 5.10 Example Problems Manual

Bergel, Guy L.; Beckwith, Frank B.; Buche, Michael R.; Belcourt, Kenneth N.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

Presented in this document are tests that exist in the Sierra / SolidMechanics example problem suite, which is a subset of the Sierra / SM regression and performance test suite. These examples showcase common and advanced code capabilities. A wide variety of other regression and verification tests exist in the Sierra / SM test suite that are not included in this manual.

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Sierra/SolidMechanics 5.10 Theory Manual

Beckwith, Frank B.; Bergel, Guy L.; de Frias, Gabriel J.; Merewether, Mark T.; Miller, Scott T.; Mosby, Matthew D.; Parmar, Krishen J.; Plews, Julia A.; Shelton, Timothy S.; Thomas, Jesse T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.; Manktelow, Kevin M.; Trageser, Jeremy T.

Presented in this document are the theoretical aspects of capabilities contained in the Sierra/SM code. This manuscript serves as an ideal starting point for understanding the theoretical foundations of the code. For a comprehensive study of these capabilities, the reader is encouraged to explore the many references to scientific articles and textbooks contained in this manual. It is important to point out that some capabilities are still in development and may not be presented in this document. Further updates to this manuscript will be made as these capabilities come closer to production level.

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A New Proof That the Number of Linear Elastic Symmetries in Two Dimensions Is Four

Journal of Elasticity

Trageser, Jeremy T.; Seleson, Pablo

We present an elementary and self-contained proof that there are exactly four symmetry classes of the elasticity tensor in two dimensions: oblique, rectangular, square, and isotropic. In two dimensions, orthogonal transformations are either reflections or rotations. The proof is based on identification of constraints imposed by reflections and rotations on the elasticity tensor, and it simply employs elementary tools from trigonometry, making the proof accessible to a broad audience. For completeness, we identify the sets of transformations (rotations and reflections) for each symmetry class and report the corresponding equations of motions in classical linear elasticity.

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The Evolution of the Peridynamics Co-Authorship Network

Journal of Peridynamics and Nonlocal Modeling

Trageser, Jeremy T.; Seleson, Pablo D.; dahal, biraj d.

We report peridynamics is a relatively new field in continuum mechanics that has developed over the past 20 years. This paper studies the evolution of collaborations in the field of peridynamics since its inception using social network analysis. For this purpose, we construct a network for each year from 2000 to 2019 describing co-authorship between scientists in peridynamics. In these networks, each node represents a scientist and each link connects two co-authoring scientists with a link weight representing the frequency and strength of their collaboration; each network as a whole can be thought of as a graph representation of the peridynamics community for the given year. By constructing a network for each year, we are able to analyze the evolution of the network in time and discuss the implications of this evolution for the peridynamics community. Our study demonstrates that the peridynamics community has been growing exponentially in size in recent years. Centrality metrics are also used to identify the most collaborative scientists in the community. Moreover, we compute link recommendations based on both elevating a scientist’s position in the network with respect to certain centrality metrics or closing structural holes in the network identified with persistent homology. We further extend the analysis to higher-order networks whose nodes represent groups of scientists in the community and whose links connect collaborating groups. In some sense, our work studies the past, present, and future of the peridynamics community.

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Sensitivity of the strength and toughness of concrete to the properties of the interfacial transition zone

Construction and Building Materials

Torrence, C.E.; Trageser, Jeremy T.; Jones, Reese E.; Rimsza, Jessica R.

Civil infrastructure is made primarily of concrete structures or components and therefore understanding durability and fracture behavior of concrete is of utmost importance. Concrete contains an interfacial transition zone (ITZ), a porous region surrounding the aggregates, that is often considered to be the weakest region in the concrete. The ITZ is poorly characterized and property estimates for the ITZ differ considerably. In this simulation study, representative concrete mesostructures are produced by packing coarse aggregates with realistic geometries into a mortar matrix. A meshless numerical method, peridynamics, is utilized to simulate the mechanical response including fracture under uniaxial compression and tension. The sensitivity of the stiffness and fracture toughness of the samples to the ITZ properties is computed, showing strong relationships between the ITZ properties and the effective modulus and effective yield strength of the concrete. These results provides insight into the influence of the poorly characterized ITZ on the stiffness and strength of concrete. This work showcases the applicability of peridynamics to concrete systems, matching experimental strength and modulus values. Additionally, relationships between the ITZ's mechanical properties and the overall concrete strength and stiffness are presented to enable future design decisions.

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Sierra/SolidMechanics 5.8 User's Manual

Bergel, Guy L.; Beckwith, Frank B.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutions of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.

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Sierra/SolidMechanics 5.8 In-Development Manual

Bergel, Guy L.; Beckwith, Frank B.; Belcourt, Kenneth N.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Plews, Julia A.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.8 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

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Sierra/SolidMechanics 5.8 Theory Manual

Bergel, Guy L.; Beckwith, Frank B.; Belcourt, Kenneth N.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Plews, Julia A.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

Presented in this document are the theoretical aspects of capabilities contained in the Sierra/SM code. This manuscript serves as an ideal starting point for understanding the theoretical foundations of the code. For a comprehensive study of these capabilities, the reader is encouraged to explore the many references to scientific articles and textbooks contained in this manual. It is important to point out that some capabilities are still in development and may not be presented in this document. Further updates to this manuscript will be made as these capabilities come closer to production level.

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Sierra/SolidMechanics 5.8 Example Problems Manual

Bergel, Guy L.; Beckwith, Frank B.; Belcourt, Kenneth N.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Plews, Julia A.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

Presented in this document are tests that exist in the Sierra/SolidMechanics example problem suite, which is a subset of the Sierra/SM regression and performance test suite. These examples showcase common and advanced code capabilities. A wide variety of other regression and verification tests exist in the Sierra/SM test suite that are not included in this manual.

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Sierra/SolidMechanics 5.8 Verification Tests Manual

Bergel, Guy L.; Beckwith, Frank B.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

Presented in this document is a small portion of the tests that exist in the Sierra/SolidMechanics (Sierra/SM) verification test suite. Most of these tests are run nightly with the Sierra/SM code suite, and the results of the test are checked versus the correct analytical result. For each of the tests presented in this document, the test setup, a description of the analytic solution, and comparison of the Sierra/SM code results to the analytic solution is provided. Mesh convergence is also checked on a nightly basis for several of these tests. This document can be used to confirm that a given code capability is verified or referenced as a compilation of example problems. Additional example problems are provided in the Sierra/SM Example Problems Manual. Note, many other verification tests exist in the Sierra/SM test suite, but have not yet been included in this manual.

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Sierra/SolidMechanics 5.6 User's Manual

Bergel, Guy L.; Beckwith, Frank B.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

Sierra/SolidMechanics (Sierra/SM) is a three-dimensional solid mechanics code with a versatile element library, nonlinear material models, large deformation capabilities, and contact. It is built on the SIERRA Framework. SIERRA provides a data management framework in a parallel computing environment that allows the addition of capabilities in a modular fashion. Contact capabilities are parallel and scalable. This document provides information about the functionality in Sierra/SM and the command structure required to access this functionality in a user input file. This document is divided into chapters based primarily on functionality. For example, the command structure related to the use of various element types is grouped in one chapter; descriptions of material models are grouped in another chapter. Sierra/SM provides both explicit transient dynamics and implicit quasistatics and dynamics capabilities. Both the explicit and implicit modules are highly scalable in a parallel computing environment. In the past, the explicit and implicit capabilities were provided by two separate codes, known as Presto and Adagio, respectively. These capabilities have been consolidated into a single code. The executable is named Adagio, but it provides the full suite of solid mechanics capabilities, for both implicit and explicit. The Presto executable has been disabled as a consequence of this consolidation.

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Sierra/SolidMechanics 5.6 Example Problems Manual

Bergel, Guy L.; Beckwith, Frank B.; Belcourt, Kenneth N.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Plews, Julia A.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

Presented in this document are tests that exist in the Sierra/SolidMechanics example problem suite, which is a subset of the Sierra/SM regression and performance test suite. These examples showcase common and advanced code capabilities. A wide variety of other regression and verification tests exist in the Sierra/SM test suite that are not included in this manual.

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Sierra/SolidMechanics 5.6 Theory Manual

Bergel, Guy L.; Beckwith, Frank B.; Belcourt, Kenneth N.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Plews, Julia A.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

Presented in this document are the theoretical aspects of capabilities contained in the Sierra/SM code. This manuscript serves as an ideal starting point for understanding the theoretical foundations of the code. For a comprehensive study of these capabilities, the reader is encouraged to explore the many references to scientific articles and textbooks contained in this manual. It is important to point out that some capabilities are still in development and may not be presented in this document. Further updates to this manuscript will be made as these capabilities come closer to production level.

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Sierra/SolidMechanics 5.6 Capabilities in Development

Bergel, Guy L.; Beckwith, Frank B.; Belcourt, Kenneth N.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Plews, Julia A.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

This user's guide documents capabilities in Sierra/SolidMechanics which remain "in-development" and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.6 User's Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

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Sierra/SolidMechanics 5.6 Verification Tests Manual

Bergel, Guy L.; Beckwith, Frank B.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

Presented in this document is a small portion of the tests that exist in the Sierra / SolidMechanics (Sierra / SM) verfication test suite. Most of these tests are run nightly with the Sierra / SM code suite, and the results of the test are checked versus the correct analytical result. For each of the tests presented in this document, the test setup, a description of the analytic solution, and comparison of the Sierra / SM code results to the analytic solution is provided. Mesh convergence is also checked on a nightly basis for several of these tests. This document can be used to confirm that a given code capability is verfied or referenced as a compilation of example problems. Additional example problems are provided in the Sierra / SM Example Problems Manual. Note, many other verfication tests exist in the Sierra / SM test suite, but have not yet been included in this manual.

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Sierra/SolidMechanics 5.4 Verification Tests Manual

Bergel, Guy L.; Beckwith, Frank B.; Belcourt, Kenneth N.; de Frias, Gabriel J.; Manktelow, Kevin M.; Merewether, Mark T.; Miller, Scott T.; Parmar, Krishen J.; Plews, Julia A.; Shelton, Timothy S.; Thomas, Jesse T.; Trageser, Jeremy T.; Treweek, Benjamin T.; Veilleux, Michael V.; Wagman, Ellen B.

Presented in this document is a small portion of the tests that exist in the Sierra/SolidMechanics (Sierra/SM) verification test suite. Most of these tests are run nightly with the Sierra/SM code suite, and the results of the test are checked versus the correct analytical result. For each of the tests presented in this document, the test setup, a description of the analytic solution, and comparison of the Sierra/SM code results to the analytic solution is provided. Mesh convergence is also checked on a nightly basis for several of these tests. This document can be used to confirm that a given code capability is verified or referenced as a compilation of example problems. Additional example problems are provided in the Sierra/SM Example Problems Manual. Note, many other verification tests exist in the Sierra/SM test suite, but have not yet been included in this manual.

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An optimization-based strategy for peridynamic-FEM coupling and for the prescription of nonlocal boundary conditions

D'Elia, Marta D.; Bochev, Pavel B.; Perego, Mauro P.; Trageser, Jeremy T.; Littlewood, David J.

We develop and analyze an optimization-based method for the coupling of a static peridynamic (PD) model and a static classical elasticity model. The approach formulates the coupling as a control problem in which the states are the solutions of the PD and classical equations, the objective is to minimize their mismatch on an overlap of the PD and classical domains, and the controls are virtual volume constraints and boundary conditions applied at the local-nonlocal interface. Our numerical tests performed on three-dimensional geometries illustrate the consistency and accuracy of our method, its numerical convergence, and its applicability to realistic engineering geometries. We demonstrate the coupling strategy as a means to reduce computational expense by confining the nonlocal model to a subdomain of interest, and as a means to transmit local (e.g., traction) boundary conditions applied at a surface to a nonlocal model in the bulk of the domain.

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Integrated Multiphysics Modeling of Environmentally Assisted Brittle Fracture

Rimsza, Jessica R.; Jones, Reese E.; Trageser, Jeremy T.; Hogancamp, Joshua H.; Torrence, Christa E.; Mitts, Cody A.; Mitchell, Chven A.; Taha, Mahmoud R.; Raby, Patience R.; Regueiro, Richard R.; Jadaan, Dhafer J.

Brittle materials, such as cement, compose major portions of built infrastructure and are vulnerable to degradation and fracture from chemo-mechanical effects. Currently, methods of modeling infrastructure do not account for the presence of a reactive environment, such as water, on the acceleration of failure. Here, we have developed methodologies and models of concrete and cement fracture that account for varying material properties, such as strength, shrinkage, and fracture toughness due to degradation or hydration. The models have been incorporated into peridynamics, non-local continuum mechanics methodology, that can model intersecting and branching brittle fracture that occurs in multicomponent brittle materials, such as concrete. Through development of new peridynamic capabilities, decalcification of cement and differential shrinkage in clay-cement composites have been evaluated, along with exemplar problems in nuclear waste cannisters and wellbores. We have developed methods to simulate multiphase phenomena in cement and cement-composite materials for energy and infrastructure applications.

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ASCEND: Asymptotically compatible strong form foundations for nonlocal discretization

Trask, Nathaniel A.; D'Elia, Marta D.; Littlewood, David J.; Silling, Stewart A.; Trageser, Jeremy T.; Tupek, Michael R.

Nonlocal models naturally handle a range of physics of interest to SNL, but discretization of their underlying integral operators poses mathematical challenges to realize the accuracy and robustness commonplace in discretization of local counterparts. This project focuses on the concept of asymptotic compatibility, namely preservation of the limit of the discrete nonlocal model to a corresponding well-understood local solution. We address challenges that have traditionally troubled nonlocal mechanics models primarily related to consistency guarantees and boundary conditions. For simple problems such as diffusion and linear elasticity we have developed complete error analysis theory providing consistency guarantees. We then take these foundational tools to develop new state-of-the-art capabilities for: lithiation-induced failure in batteries, ductile failure of problems driven by contact, blast-on-structure induced failure, brittle/ductile failure of thin structures. We also summarize ongoing efforts using these frameworks in data-driven modeling contexts. This report provides a high-level summary of all publications which followed from these efforts.

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Results 1–25 of 40
Results 1–25 of 40