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Title: Dislocation dynamics in polycrystalline materials

Abstract

An extension of the dislocation dynamics method to polycrystalline materials is presented with emphasis on handling interactions between dislocations and grain boundaries. The key new features of the method include: (1) a grain boundary detection algorithm, (2) new dislocation emission criteria based on power dissipation and area growth, (3) mobility of dislocations at grain boundaries, and (4) extension of topological operations e.g. mesh adaption, collision, and dissociation to handle dislocations interacting with grain boundaries. Furthermore, verification and validation examples are executed to compare our calculations with existing analytic methods, molecular dynamics simulations, and experimental observations.

Authors:
ORCiD logo [1];  [2];  [1];  [1]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  2. Army Research Lab., Aberdeen Proving Ground, MD (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); US Army Research Laboratory (USARL)
OSTI Identifier:
1605531
Report Number(s):
LLNL-JRNL-783204
Journal ID: ISSN 0965-0393; 978864
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Accepted Manuscript
Journal Name:
Modelling and Simulation in Materials Science and Engineering
Additional Journal Information:
Journal Volume: 28; Journal Issue: 3; Journal ID: ISSN 0965-0393
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; 97 MATHEMATICS AND COMPUTING; 36 MATERIALS SCIENCE; dislocation dynamics; polycrystals; grain boundaries; emission; ParaDiS; dislocations

Citation Formats

Cho, Jaehyun, Crone, Joshua C., Arsenlis, Athanasios, and Aubry, Sylvie. Dislocation dynamics in polycrystalline materials. United States: N. p., 2020. Web. doi:10.1088/1361-651X/ab6da8.
Cho, Jaehyun, Crone, Joshua C., Arsenlis, Athanasios, & Aubry, Sylvie. Dislocation dynamics in polycrystalline materials. United States. doi:https://doi.org/10.1088/1361-651X/ab6da8
Cho, Jaehyun, Crone, Joshua C., Arsenlis, Athanasios, and Aubry, Sylvie. Tue . "Dislocation dynamics in polycrystalline materials". United States. doi:https://doi.org/10.1088/1361-651X/ab6da8. https://www.osti.gov/servlets/purl/1605531.
@article{osti_1605531,
title = {Dislocation dynamics in polycrystalline materials},
author = {Cho, Jaehyun and Crone, Joshua C. and Arsenlis, Athanasios and Aubry, Sylvie},
abstractNote = {An extension of the dislocation dynamics method to polycrystalline materials is presented with emphasis on handling interactions between dislocations and grain boundaries. The key new features of the method include: (1) a grain boundary detection algorithm, (2) new dislocation emission criteria based on power dissipation and area growth, (3) mobility of dislocations at grain boundaries, and (4) extension of topological operations e.g. mesh adaption, collision, and dissociation to handle dislocations interacting with grain boundaries. Furthermore, verification and validation examples are executed to compare our calculations with existing analytic methods, molecular dynamics simulations, and experimental observations.},
doi = {10.1088/1361-651X/ab6da8},
journal = {Modelling and Simulation in Materials Science and Engineering},
number = 3,
volume = 28,
place = {United States},
year = {2020},
month = {2}
}

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