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

This is the preprint of an article that will appear in Computational Materials Science (doi.org/10.1016/j.commatsci.2019.109217)

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

Xiaoyao Peng (Carnegie Mellon University), Nithin Mathew (Los Alamos National Laboratory), Irene J. Beyerlein (University of California, Santa Barbara), Kaushik Dayal (Carnegie Mellon University)Abigail Hunter (Los Alamos National Laboratory)

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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