Atomistic studies of shock-induced phase transformations in single crystal iron with cylindrical nanopores

Abstract

Non-equilibrium molecular-dynamic simulations with our modified analytic embedded-atom model potential were carried out on single crystalline iron of idealized cylindrical nanopores to study the effect of defect on shock response. The results showed that the shock response and phase transformation were influenced by cylindrical nanopores. Reflection wave, “hot spot” can be clearly observed under [001], [110] and [111] loading directions, and the nucleation and growth of dislocations appeared for the shock along [110] and [111] directions. The critical stress of phase transformation, the nucleation sites and martensitic variants were obviously influenced by the cylindrical nanopores. In addition, stress assisted transformation mechanisms and strain induced transformation mechanisms were discussed, and the kinetics of the variants which caused by the presence of cylindrical pores were studied.