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

Peng, Xiaoyao; Mathew, Nithin; Beyerlein, Irene J.; Dayal, Kaushik; Hunter, Abigail

doi:10.1016/j.commatsci.2019.109217

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

Journal Article · Tue Sep 10 00:00:00 EDT 2019 · Computational Materials Science

DOI:https://doi.org/10.1016/j.commatsci.2019.109217· OSTI ID:1565909

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^[2]; Beyerlein, Irene J. ^[3];

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Carnegie Mellon Univ., Pittsburgh, PA (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Univ. of California, Santa Barbara, CA (United States)

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.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 1565909

Alternate ID(s):: OSTI ID: 1560905

Report Number(s):: LA-UR-19-24421; TRN: US2000943

Journal Information:: Computational Materials Science, Vol. 171, Issue C; ISSN 0927-0256

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 25 works

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