Review of Molecular Dynamics Simulation of Bimetallic Interfacial Behavior

Bimetals have broad application prospects in many fields due to the combination of the performance characteristics of the two materials, but weak interface bonding limits their promotion and application. Therefore, studying the interfacial behavior to achieve bimetallic strengthening is the focus of this field. However, it is often difficult or costly to visually observe the interfacial behavior using traditional experimental methods. Molecular dynamics (MD) is an advanced microscopic simulation method that can conveniently, rapidly, accurately and intuitively study the diffusion and mechanical behavior at the bimetallic interfaces, providing a powerful tool and theoretical guidance to reveal the nature of interfacial bonding and the strengthening mechanism. This paper summarizes the research progress on molecular dynamics in the bimetallic formation process and mechanical behavior, including Al/Cu, Al/Mg, Al/Ni, Al/Ti, Al/Fe, Cu/Ni, and Fe/Cu. In addition, the future development direction is outlined to provide theoretical basis and experimental guidance for further exploring the formation process and performance enhancement of the bimetallic interfaces.