Effects of heating rate on morphological evolution, microstructure, and mechanical properties of nanoporous gold

Abstract

The effects of heating rate during the thermal coarsening of nanoporous gold (NPG) on its morphological evolution, microstructure, and mechanical properties are studied using molecular dynamics simulations. The simulation results show that lower heating rates promote the coarsening of NPG and decreasing porosity. The coarsening proceeds until the end of the heating process, followed by structural relaxation and recovery of the crystalline structure during the cooling process. NPG coarsened at lower heating rates has better mechanical strength. NPG under compression has a much higher dislocation density than that under tension, which results in a significant tension/compression asymmetry. During compression, NPG necking preferentially occurs at smaller ligament junctions and the orientation is [110].

A Molecular Dynamics Perspective on the Impacts of Random Rough Surface, Film Thickness, and Substrate Temperature on the Adsorbed Film’s Liquid–Vapor Phase Transition Regime

“…Moreover, it could represent more realistic random rough surfaces. It should be mentioned that up to now, Guillotte et al [33] and Wu and Hong [34] have established the most feasible and successful approach for modeling nanoporouses, from which the suggested method derives its fundamental idea.…”