48 citations · 159 across the 7 of their papers we have counts for
10 papers · 1 filter
Machine-learning interatomic potentials for materials science
Y. Mishin
Large-scale atomistic computer simulations of materials rely on interatomic potentials providing computationally efficient predictions of energy and Newtonian forces. Traditional p…
Atomistic study of grain-boundary segregation and grain-boundary diffusion in Al-Mg alloys
R. K. Koju, Y. Mishin
Mg grain boundary (GB) segregation and GB diffusion can impact the processing and properties of Al-Mg alloys. Yet, Mg GB diffusion in Al has not been measured experimentally or pre…
Relationship between grain boundary segregation and grain boundary diffusion in Cu-Ag alloys
R. K. Koju, Y. Mishin
While it is known that alloy components can segregate to grain boundaries (GBs), and that the atomic mobility in GBs greatly exceeds the atomic mobility in the lattice, little is k…
Direct atomistic modeling of solute drag by moving grain boundaries
R. K. Koju, Y. Mishin
We show that molecular dynamics (MD) simulations are capable of reproducing the drag of solute segregation atmospheres by moving grain boundaries (GBs). Although lattice diffusion…
Solute drag and dynamic phase transformations in moving grain boundaries
Y. Mishin
A discrete model and the regular solution approximation are applied to describe the effect of grain boundary motion on grain boundary phase transformations in a binary alloy. The m…
An atomistic view of grain boundary diffusion
Y. Mishin
This paper presents an overview of recent computer simulations of grain boundary (GB) diffusion focusing on atomistic understanding of diffusion mechanisms. At low temperatures whe…