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Title: A 3D phase field dislocation dynamics model for body-centered cubic crystals

Abstract

In this work, we present a 3D Phase Field Dislocation Dynamics (PFDD) model for body-centered cubic (BCC) metals. The model formulation is extended to account for the dependence of the Peierls barrier on the line-character of the dislocation. Simulations of the expansion of a dislocation loop belonging to {110} < 111 > the slip system are presented with direct comparison to Molecular Statics (MS) simulations. The extended PFDD model is able to capture the salient features of dislocation loop expansion predicted by MS simulations. In conclusion, the model is also applied to simulate the motion of a straight screw dislocation through kink-pair motion.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3]; ORCiD logo [1]; ORCiD logo [2]
  1. Carnegie Mellon Univ., Pittsburgh, PA (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. Univ. of California, Santa Barbara, CA (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1565909
Alternate Identifier(s):
OSTI ID: 1560905
Report Number(s):
LA-UR-19-24421
Journal ID: ISSN 0927-0256
Grant/Contract Number:  
89233218CNA000001
Resource Type:
Accepted Manuscript
Journal Name:
Computational Materials Science
Additional Journal Information:
Journal Volume: 171; Journal Issue: C; Journal ID: ISSN 0927-0256
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
dislocations; phase field model; BCC; mesoscale; Peierls barrier

Citation Formats

Peng, Xiaoyao, Mathew, Nithin, Beyerlein, Irene J., Dayal, Kaushik, and Hunter, Abigail. A 3D phase field dislocation dynamics model for body-centered cubic crystals. United States: N. p., 2019. Web. doi:10.1016/j.commatsci.2019.109217.
Peng, Xiaoyao, Mathew, Nithin, Beyerlein, Irene J., Dayal, Kaushik, & Hunter, Abigail. A 3D phase field dislocation dynamics model for body-centered cubic crystals. United States. doi:10.1016/j.commatsci.2019.109217.
Peng, Xiaoyao, Mathew, Nithin, Beyerlein, Irene J., Dayal, Kaushik, and Hunter, Abigail. Tue . "A 3D phase field dislocation dynamics model for body-centered cubic crystals". United States. doi:10.1016/j.commatsci.2019.109217.
@article{osti_1565909,
title = {A 3D phase field dislocation dynamics model for body-centered cubic crystals},
author = {Peng, Xiaoyao and Mathew, Nithin and Beyerlein, Irene J. and Dayal, Kaushik and Hunter, Abigail},
abstractNote = {In this work, we present a 3D Phase Field Dislocation Dynamics (PFDD) model for body-centered cubic (BCC) metals. The model formulation is extended to account for the dependence of the Peierls barrier on the line-character of the dislocation. Simulations of the expansion of a dislocation loop belonging to {110} < 111 > the slip system are presented with direct comparison to Molecular Statics (MS) simulations. The extended PFDD model is able to capture the salient features of dislocation loop expansion predicted by MS simulations. In conclusion, the model is also applied to simulate the motion of a straight screw dislocation through kink-pair motion.},
doi = {10.1016/j.commatsci.2019.109217},
journal = {Computational Materials Science},
number = C,
volume = 171,
place = {United States},
year = {2019},
month = {9}
}

Journal Article:
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This content will become publicly available on September 10, 2020
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