Temperature-Dependent Edge Effects and Deformation Mechanisms in Monocrystalline Au Nanoindentation: A Molecular Dynamics Study

Nanoindentation is a method technique for investigating the mechanical characteristics of materials, yet the impact of edge effects on the outcomes cannot be overlooked. This research utilizes molecular dynamics simulations to systematically explore the edge effects and deformation mechanisms of monocrystalline gold across varying temperatures and indentation depths in nanoindentation. The results reveal that when the indentation depth grows, the edge effects gradually intensify, leading to corresponding increases in surface collapse and side pile-up areas, and as temperature increases, the region of surface collapse and side pile-up on the workpiece initially increases before decreasing, with the most pronounced edge effects observed at 500 K. Meanwhile, the defect structure and stress distribution inside the workpiece during nanoindentation also change with temperature. This research provides new insights into the edge effects and deformation mechanisms during nanoindentation of monocrystalline gold, offering theoretical guidance for optimizing nanoindentation experiments and enhancing material performance.