# Effect of Interfacial Structural Phase Transitions on the Coupled Motion of Grain Boundaries: A Molecular Dynamics Study

Source: [Effect of Interfacial Structural Phase Transitions on the Coupled Motion of Grain Boundaries: A Molecular Dynamics Study](<https://www.sota2.com/research/paper/68fa31481e209131ce87d443>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2025-10-24T18:45:00.327Z

Authors: Timofey Frolov

Published: 2014-05-14T21:08:01.000Z

## Abstract

In this work the coupled motion of two different phases of {\\Sigma}5(210)\[001\] grain boundaries were investigated by molecular dynamics simulations of fcc Cu. The effect of interfacial structural phase transitions is shown to have a profound effect on both the shear strength and the nature of the coupled motion. Specifically, the motion of the two different phases is described by ideal coupling factors {\\beta}\<100\> and {\\beta}\<110\> that have different magnitudes and even signs. Additionally, the shear strength for the two inter- facial phases is observed to differ by up to 40 % at the lowest temperatures simulated. The study demonstrates that grain boundary phases transitions may have strong effects on the kinetics of microstructural evolution.

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## Original sources and implementation

[Original paper](<https://arxiv.org/abs/1405.3688>)

[PDF](<https://arxiv.org/pdf/1405.3688.pdf>)