Non-orthogonal computational grids for studying dislocation motion in phase field approaches

Peng, Xiaoyao; Hunter, Abigail; Beyerlein, Irene J.; Lebensohn, Ricardo A.; Dayal, Kaushik; Martinez, Enrique

doi:10.1016/j.commatsci.2021.110834

Non-orthogonal computational grids for studying dislocation motion in phase field approaches

Journal Article · Mon Sep 06 00:00:00 EDT 2021 · Computational Materials Science

DOI:https://doi.org/10.1016/j.commatsci.2021.110834· OSTI ID:1834531

^[1]; Hunter, Abigail ^[1]; ^[2]; Lebensohn, Ricardo A. ^[1]; ^[3]; ^[4]

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

In this work, new non-orthogonal computational grids are implemented into a phase field model called Phase Field Dislocation Dynamics (PFDD). We demonstrate that the new non-orthogonal grid can accommodate multiple slip planes in either the face centered cubic (FCC) or body centered cubic (BCC) crystallographic systems. Here, we show that they avoid numerical errors induced when modeling glide on inclined slip planes in an orthogonal grid. The Gibbs effect that arises in the orthogonal or rotated orthogonal grids is substantially diminished when a non-orthogonal grid is employed. A few test cases demonstrate the effectiveness of using non-orthogonal grids in solving systems with multiple non-planar slip systems.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; National Science Foundation (NSF); US Department of the Navy, Office of Naval Research (ONR); National Science Foundation (NSF); Clemson University

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 1834531

Report Number(s):: LA-UR--21-25715

Journal Information:: Computational Materials Science, Journal Name: Computational Materials Science Vol. 200; ISSN 0927-0256

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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