Grain Boundary Diffusion in a Peierls-Nabarro Potential

TL;DR

This paper models grain boundary diffusion in crystals considering dislocation interactions and Peierls-Nabarro potential, using Langevin equations validated by molecular dynamics simulations.

Contribution

It introduces a Langevin equation-based approach to analyze grain boundary dynamics considering long-range interactions and potential effects.

Findings

Langevin equations accurately describe grain boundary motion.

Model agrees with molecular dynamics simulations.

Provides insights into dislocation interactions and diffusion mechanisms.

Abstract

We investigate the diffusion of a grain boundary in a crystalline material. We consider in particular the case of a regularly spaced low-angle grain boundary schematized as an array of dislocations that interact with each other through long-range stress fields and with the crystalline Peierls-Nabarro potential. The methodology employed to analyze the dynamics of the center of mass of the grain boundary and its spatio-temporal fluctuations is based on over-damped Langevin equations. The generality and the efficiency of this technique is proved by the agreement with molecular dynamics simulations.