Stability of Vacancy Loops close to Surfaces in α-Fe from Molecular Dynamics Simulations

Molecular dynamics simulations to study the stability of vacancy clusters as a function of its distance and orientation with respect to the free surfaces are performed. Results show they are able to migrate to the free surfaces and recombine with it. Time for the absortion of the cluster by the free surfaces as a function of the temperature is calculated in order to obtain the migration energy activation