Revealing the influence of carbon on shear-coupled grain boundary migrationin α-iron via molecular dynamics simulations

Abstract

Shear-coupled grain boundary (GB) migration is of importance theoretically on the mechanisms of GB behaviors and application oriented on the development of novel processing methods by plastic deformation. We demonstrate via molecular dynamics simulations that the interstitial species carbon may affect the shear-coupled migration in α-iron strongly. The impact of carbon selectively takes effect depending on the variety of grain boundaries. Specifically, the coupling factor of the Σ9(221) GB is increased in the presence of carbon. While the carbon effect is inactive for the Σ17(223) GB. The influence of carbon is revealed to be connected with the disconnection modes of grain boundaries. The results of the work implicate correlations between the carbon enrichment and the final microstructure after severe plastic deformation.