Modeling of interaction of edge dislocations and microvoids using molecular dynamic approach

The paper addressed issues related to the description of the internal structure of metals and alloys in terms of microvoids nucleation and evolution, which are one of the varieties of damages. By classical molecular dynamics simulation we develop and numerically implement a mathematical model for the description of the interaction of edge dislocations and microvoids taking into account temperature and strain external fields changes. The studied material is binary system Fe–C with 0.8 % volumetric carbon content, which corresponds to high-carbon steel. The construction of the interatomic potential is carried out by the Embedded Atom Model. The methods of introducing edge dislocations and micropores into the molecular dynamics system are considered. A scenario is considered in which microvoids act as a sink of vacancy, and qualitative and quantitative estimations of the interaction of edge dislocations and microvoids are obtained.