Molecular Dynamics Investigation of Shock-Induced Deformation Behavior and Failure Mechanism in Metallic Materials

Shock waves are generated under high-speed impact conditions, creating extreme environments that are difficult to be simulated. Molecular dynamics (MD), as a vital tool for investigating deformation mechanisms of materials at the atomic scale, plays a crucial role in investigating the response of metallic materials to shock waves. Herein, we comprehensively review the state-to-the-art progress of MD study on deformation and failure mechanisms in metals under shock loading. We start the overview by summarizing different kinds of methodologies that could generate shock waves in MD simulations. Then we focus on the examination and analysis of the shock-induced plasticity and phase transition behavior in metals with different crystal structures that intrinsically experience different deformation mechanisms. We consider single crystal, bicrystal and ploycrystal metals with face-centered cubic, body-centered cubic and hexagonal closest packed structures. Furthermore, the failure mechanisms in metals under shock loading are surveyed to disclose the relationship between spallation damage and plastic deformation. Finally, a summary and future prospects of MD studies concerning deformation and failure of metals under shock loading are provided.