collaborators

1 paper

cond-mat.mtrl-sci2025

A high-throughput ab initio study of elemental segregation and cohesion at ferritic-iron grain boundaries

Han Lin Mai, Xiang-Yuan Cui, Tilmann Hickel +2

Segregation of alloying elements and impurities at grain boundaries (GBs) critically influences material behavior by affecting cohesion. In this study, we present an ab initio high…