Modeling of microvoids as a mechanism of microdamages: MD simulations

The paper discusses problems related to the description of metals and alloys internal structure. A mathematical model is developed and numerically implemented to find the minimum sizes of stable microvoids under external force and temperature influences. This model is imposed using the molecular dynamics method and embedded atom model (EAM) is used to construct the interatomic interaction potential. The proposed model allowed to find specific minimum sizes of stable microvoids for the binary atomic Fe-C system. Besides, we considered interaction between microvoid and grain boundary as a source of dislocations.