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Title: Developing strong concurrent multiphysics multiscale coupling to understand the impact of microstructural mechanisms on the structural scale

Abstract

The heterogeneity in mechanical fields introduced by microstructure plays a critical role in the localization of deformation. To resolve this incipient stage of failure, it is therefore necessary to incorporate microstructure with sufficient resolution. On the other hand, computational limitations make it infeasible to represent the microstructure in the entire domain at the component scale. In this study, the authors demonstrate the use of concurrent multi- scale modeling to incorporate explicit, finely resolved microstructure in a critical region while resolving the smoother mechanical fields outside this region with a coarser discretization to limit computational cost. The microstructural physics is modeled with a high-fidelity model that incorporates anisotropic crystal elasticity and rate-dependent crystal plasticity to simulate the behavior of a stainless steel alloy. The component-scale material behavior is treated with a lower fidelity model incorporating isotropic linear elasticity and rate-independent J 2 plas- ticity. The microstructural and component scale subdomains are modeled concurrently, with coupling via the Schwarz alternating method, which solves boundary-value problems in each subdomain separately and transfers solution information between subdomains via Dirichlet boundary conditions. Beyond cases studies in concurrent multiscale, we explore progress in crystal plastic- ity through modular designs, solution methodologies, model verification, and extensions tomore » Sierra/SM and manycore applications. Advances in conformal microstructures having both hexahedral and tetrahedral workflows in Sculpt and Cubit are highlighted. A structure-property case study in two-phase metallic composites applies the Materials Knowledge System to local metrics for void evolution. Discussion includes lessons learned, future work, and a summary of funded efforts and proposed work. Finally, an appendix illustrates the need for two-way coupling through a single degree of freedom.« less

Authors:
 [1];  [1];  [1];  [1];  [1];  [1];  [2];  [2];  [2];  [3]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  2. Georgia Inst. of Technology, Atlanta, GA (United States). Woodruff School of Mechanical Engineering
  3. Elemental Technologies, Provo, UT (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1399209
Report Number(s):
SAND-2017-10772
657568
DOE Contract Number:
AC04-94AL85000
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats

Foulk, James W., Alleman, Coleman N., Mota, Alejandro, Lim, Hojun, Littlewood, David John, Bergel, Guy Leshem, Popova, Evdokia, Montes de Oca Zapiain, David, Kalidindi, Suryanarayana Raju, and Ernst, Corey. Developing strong concurrent multiphysics multiscale coupling to understand the impact of microstructural mechanisms on the structural scale. United States: N. p., 2017. Web. doi:10.2172/1399209.
Foulk, James W., Alleman, Coleman N., Mota, Alejandro, Lim, Hojun, Littlewood, David John, Bergel, Guy Leshem, Popova, Evdokia, Montes de Oca Zapiain, David, Kalidindi, Suryanarayana Raju, & Ernst, Corey. Developing strong concurrent multiphysics multiscale coupling to understand the impact of microstructural mechanisms on the structural scale. United States. doi:10.2172/1399209.
Foulk, James W., Alleman, Coleman N., Mota, Alejandro, Lim, Hojun, Littlewood, David John, Bergel, Guy Leshem, Popova, Evdokia, Montes de Oca Zapiain, David, Kalidindi, Suryanarayana Raju, and Ernst, Corey. Fri . "Developing strong concurrent multiphysics multiscale coupling to understand the impact of microstructural mechanisms on the structural scale". United States. doi:10.2172/1399209. https://www.osti.gov/servlets/purl/1399209.
@article{osti_1399209,
title = {Developing strong concurrent multiphysics multiscale coupling to understand the impact of microstructural mechanisms on the structural scale},
author = {Foulk, James W. and Alleman, Coleman N. and Mota, Alejandro and Lim, Hojun and Littlewood, David John and Bergel, Guy Leshem and Popova, Evdokia and Montes de Oca Zapiain, David and Kalidindi, Suryanarayana Raju and Ernst, Corey},
abstractNote = {The heterogeneity in mechanical fields introduced by microstructure plays a critical role in the localization of deformation. To resolve this incipient stage of failure, it is therefore necessary to incorporate microstructure with sufficient resolution. On the other hand, computational limitations make it infeasible to represent the microstructure in the entire domain at the component scale. In this study, the authors demonstrate the use of concurrent multi- scale modeling to incorporate explicit, finely resolved microstructure in a critical region while resolving the smoother mechanical fields outside this region with a coarser discretization to limit computational cost. The microstructural physics is modeled with a high-fidelity model that incorporates anisotropic crystal elasticity and rate-dependent crystal plasticity to simulate the behavior of a stainless steel alloy. The component-scale material behavior is treated with a lower fidelity model incorporating isotropic linear elasticity and rate-independent J 2 plas- ticity. The microstructural and component scale subdomains are modeled concurrently, with coupling via the Schwarz alternating method, which solves boundary-value problems in each subdomain separately and transfers solution information between subdomains via Dirichlet boundary conditions. Beyond cases studies in concurrent multiscale, we explore progress in crystal plastic- ity through modular designs, solution methodologies, model verification, and extensions to Sierra/SM and manycore applications. Advances in conformal microstructures having both hexahedral and tetrahedral workflows in Sculpt and Cubit are highlighted. A structure-property case study in two-phase metallic composites applies the Materials Knowledge System to local metrics for void evolution. Discussion includes lessons learned, future work, and a summary of funded efforts and proposed work. Finally, an appendix illustrates the need for two-way coupling through a single degree of freedom.},
doi = {10.2172/1399209},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Sep 01 00:00:00 EDT 2017},
month = {Fri Sep 01 00:00:00 EDT 2017}
}

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