Modeling the cascades of atomic displacements in alpha iron containing simmetrically tilt grain boundary

The work is devoted to examination of primary radiation damage of alpha-iron bicrystals with twin grain boundary by means of molecular dynamics simulation. Simulation is based on the multibody interatomic interaction. The authors have considered atomic models of six types of extended twin grain boundaries in bcc iron. Their specific energies have been calculated and grain region sizes have been determined. The researchers have simulated evolution of atomic cascade displacements in bicrystals of alpha-iron with a symmetric grain boundary $\sum^5$ (310)[001]. According to the obtained results, the authors have conducted a comparative analysis of a number of radiation-induced defects formed in a perfect crystal lattice and bicrystals containing grain boundaries.