Research progress in plastic deformation mechanism of Mg alloys based on molecular dynamics

Abstract

The computational material science based on molecular dynamics method is critical for the investigation of the micro-nano scale plastic deformation, which helps to clarify the competition relationship between different plastic deformation mechanisms of magnesium alloys.The mechanism of slip, twinning and grain boundary sliding in magnesium alloys was summarized; the basic principles of molecular dynamics and the potential functions commonly applied to the hexagonal close-packed structure metals were briefly introduced. Moreover,the research progress of plastic deformation mechanism of Mg alloys based on the molecular dynamics was mainly analyzed. Based on the main problems mentioned above, it was pointed out that the development of high-precision potential function for magnesium alloy multiple systems and how to achieve the relationship of multiple scales will be the focused directions in the further research.

Keywords

• molecular dynamics
• magnesium alloy
• plastic deformation mechanism
• potential function