Structural transformation features in titanium crystallite under mechanical loading

Abstract

The features of defect structure generation and development in titanium crystallites were studied on the basis of molecular dynamics method. Interatomic interaction was described using many-body potentials calculated in the approximation of the embedded atom method. It is shown that local structural changes begin to occur in the crystallite at the achievement of a threshold strain value, which is accompanied by a dramatic decrease of potential energy. The features of the formation of local structural changes, which are precursors of classical stacking faults, were studied.