Molecular dynamics simulations of the wetting and spreading behaviour of the (Ag₂₈Cu₇₂)_xNi_y/Ti system

In order to elucidate the wetting spreading mechanism, kinetic properties and their influencing factors of the AgCuNi/Ti system on an atomic scale, the present study systematically investigates the wetting behaviour of the system at different temperatures and nickel (Ni) contents through molecular dynamics simulations. The study focuses on analysing the influence of interfacial element diffusion and phase structure changes on the wetting process. The results show that in the (Ag₇₂Cu₂₈)_xNi_y/Ti system, the Cu atoms in the droplet react with the Ti atoms in the substrate in a significant solvation reaction, forming Cu-Ti compounds with body-centred cubic (BCC) structure and Ag solid solutions with face-centred cubic (FCC) structure. With the increase of Ni content in the droplets, the Cu-Ti reaction became more significant, leading to the formation of more BCC Cu-Ti compounds and promoting the generation of FCC Ag solid solutions.The increase of Ni content not only intensified the chemical reaction between Cu-Ti, but also significantly affected the kinetic properties of the whole wetting process. In addition, it was found that the temperature also had an important effect on the wetting behaviour, with higher temperatures resulting in faster Cu-Ti reaction rates and better wetting effects.