Impact and wetting properties of Au nanoparticle on Cu(001) textured surfaces by molecular dynamics

Abstract

The purpose of this research is to shed more light on the intermixing and deformation of an Au nanoparticle during a deposition process on a Cu substrate by using molecular dynamics simulation. This study investigates the influence of surface conditions, incident angle, speed impact, and diameter of Au particle on the deformation behaviors, temperature, and the bonding between it and Cu substrate. The results reveal that after deposition, the high-stress zone, structure change, and dislocation mostly concentrate at the interfacial zone. The Au particle's deformation behaviors and dislocation evolutions closely relate to three stages, which are impacting, after impact, and relaxation stages. Moreover, the higher level of textured surface or the rougher surface generates a greater level of intermixing, flattening ratio, and bonding between the Au particle and Cu substrate. Decreasing the incident angle leads to an increase in the flattening ratio value and the Au–Cu bonding. While increasing the incident velocity from 100 to 700 m/s results in a greatly higher rate of deformation, Au–Cu bonding, and penetration depth. Interestingly, reducing the particle size helps to improve the rate of deformation.