Atomistic Simulation of the Interaction Between Point Defects and Twin Boundary

Abstract

While nanotwinned metals have been proven to show excellent mechanical properties, they are generally anticipated to be less effective in the alleviation of radiation damage. However, recent in situ studies have indicated that some nanotwinned metals exhibit unprecedented radiation tolerance, and the unexpected self‐healing of twin boundaries in response to radiation was observed. To reveal the underlying atomic mechanisms, we performed long‐time molecular dynamics simulations to study the dynamic interaction between twin boundary and some typical radiation‐induced point defects, including vacancy cluster and self‐interstitial atoms. The defective structures of coherent twin boundary which contains incoherent twin segment or self‐interstitial atoms are considered, and these structure features are found to effectively improve the ability of twin boundary to act as a sink for point defects.