Grain boundary shear coupling is not a grain boundary property

Kongtao Chen; Jian Han; Spencer L. Thomas; David J. Srolovitz

doi:10.1016/j.actamat.2019.01.040

Grain boundary shear coupling is not a grain boundary property

Kongtao Chen, Jian Han, Spencer L. Thomas, David J. Srolovitz^*

^*Corresponding author for this work

Department of Materials Science and Engineering

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

57 Citations (Scopus)

Abstract

Shear coupling implies that all grain boundary (GB) migration necessarily creates mechanical stresses/strains and is a key component to the evolution of all polycrystalline microstructures. We present MD simulation data and theoretical analyses that demonstrate the GB shear coupling is not an intrinsic GB property, but rather strongly depends on the type and magnitude of the driving force for migration and temperature. We resolve this apparent paradox by proposing a microscopic theory for GB migration that is based upon a statistical ensemble of line defects (disconnections) that are constrained to lie in the GB. Comparison with the MD results for several GBs provides quantitative validation of the theory of shear coupling factor as a function of stress, chemical potential jump and temperature.

Original language	English
Pages (from-to)	241-247
Journal	Acta Materialia
Volume	167
Online published	30 Jan 2019
DOIs	https://doi.org/10.1016/j.actamat.2019.01.040
Publication status	Published - 1 Apr 2019

Research Keywords

Disconnection
Grain boundary
Molecular dynamics
Shear coupling
Thermodynamics

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title = "Grain boundary shear coupling is not a grain boundary property",

abstract = "Shear coupling implies that all grain boundary (GB) migration necessarily creates mechanical stresses/strains and is a key component to the evolution of all polycrystalline microstructures. We present MD simulation data and theoretical analyses that demonstrate the GB shear coupling is not an intrinsic GB property, but rather strongly depends on the type and magnitude of the driving force for migration and temperature. We resolve this apparent paradox by proposing a microscopic theory for GB migration that is based upon a statistical ensemble of line defects (disconnections) that are constrained to lie in the GB. Comparison with the MD results for several GBs provides quantitative validation of the theory of shear coupling factor as a function of stress, chemical potential jump and temperature.",

keywords = "Disconnection, Grain boundary, Molecular dynamics, Shear coupling, Thermodynamics",

author = "Kongtao Chen and Jian Han and Thomas, {Spencer L.} and Srolovitz, {David J.}",

year = "2019",

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doi = "10.1016/j.actamat.2019.01.040",

language = "English",

volume = "167",

pages = "241--247",

journal = "Acta Materialia",

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TY - JOUR

T1 - Grain boundary shear coupling is not a grain boundary property

AU - Chen, Kongtao

AU - Han, Jian

AU - Thomas, Spencer L.

AU - Srolovitz, David J.

PY - 2019/4/1

Y1 - 2019/4/1

N2 - Shear coupling implies that all grain boundary (GB) migration necessarily creates mechanical stresses/strains and is a key component to the evolution of all polycrystalline microstructures. We present MD simulation data and theoretical analyses that demonstrate the GB shear coupling is not an intrinsic GB property, but rather strongly depends on the type and magnitude of the driving force for migration and temperature. We resolve this apparent paradox by proposing a microscopic theory for GB migration that is based upon a statistical ensemble of line defects (disconnections) that are constrained to lie in the GB. Comparison with the MD results for several GBs provides quantitative validation of the theory of shear coupling factor as a function of stress, chemical potential jump and temperature.

AB - Shear coupling implies that all grain boundary (GB) migration necessarily creates mechanical stresses/strains and is a key component to the evolution of all polycrystalline microstructures. We present MD simulation data and theoretical analyses that demonstrate the GB shear coupling is not an intrinsic GB property, but rather strongly depends on the type and magnitude of the driving force for migration and temperature. We resolve this apparent paradox by proposing a microscopic theory for GB migration that is based upon a statistical ensemble of line defects (disconnections) that are constrained to lie in the GB. Comparison with the MD results for several GBs provides quantitative validation of the theory of shear coupling factor as a function of stress, chemical potential jump and temperature.

KW - Disconnection

KW - Grain boundary

KW - Molecular dynamics

KW - Shear coupling

KW - Thermodynamics

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U2 - 10.1016/j.actamat.2019.01.040

DO - 10.1016/j.actamat.2019.01.040

M3 - RGC 21 - Publication in refereed journal

SN - 1359-6454

VL - 167

SP - 241

EP - 247

JO - Acta Materialia

JF - Acta Materialia

ER -

Grain boundary shear coupling is not a grain boundary property

Abstract

Research Keywords

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