Abstract
Understanding the effect of alloying elements on shock behaviors is significant for constitutive model of alloy materials at under dynamic high pressure. However, an in-depth understanding about the microscopic mechanism of alloying elements effect on plasticity and phase transition is still limited. In this work, applying non-equilibrium molecular dynamic (NEMD) simulations, shock-induced plasticity and phase transition of Fe-Li alloys was investigated in terms of the compositions of Li, crystallographic direction and shock velocity. The results show that yield stress (or phase change pressure) of Fe-Li alloy was reduced doping Li element, and the large internal stresses caused by concentration of Li element effectively activated the nucleation and multiplication of dislocation loops. But with the increase of Li composition, phase transition is inhibited for shock along [111] direction because of stress release caused by multiplication of dislocation. There is a strong dependence between these microscopic processes and the law of plastic wave propagation. Moreover, with the increase of Li composition, the diversity of phase transition variants was inhibited for shock along [110] direction due to the destruction of initial stress and potential energy uniformity.
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