Publication 19-CNA-012

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

Xiaoyao Peng
Department of Civil and Environmental Engineering
Carnegie Mellon University
Pittsburgh, PA 15213
xiaoyaop@andrew.cmu.edu

Nithin Mathew
Theoretical Division, T-1/Center for Nonlinear Studies
Los Alamos National Laboratory

Irene J. Beyerlein
University of California, Santa Barbara

Kaushik Dayal
Center for Nonlinear Analysis
Department of Civil and Environmental Engineering
Department of Materials Science and Engineering
Carnegie Mellon University
Pittsburgh, PA 15213
Kaushik.Dayal@cmu.edu

Abigail Hunter
X Computational Physics Division
Los Alamos National Laboratory
ahunter@lanl.gov

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 the {110} {111} 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. The model is also applied to simulate the motion of a straight screw dislocation through kink-pair motion.

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