Wetting and spreading of AgCuTi on Fe substrate at high temperatures: A molecular dynamics study

Abstract

In this study, the wetting and spreading behavior of AgCuTi ternary alloys on Fe substrate was investigate using a molecular dynamics (MD) modeling method. Modeling indicates that precursor films consisted of single-layer atoms are formed and that the wetting and spreading morphologies of the molten droplets on various crystal surfaces are distinct. Diffusive processes play a key role in the formation of the precursor film, and the droplet spreading morphology is correlated critically with the atomic arrangement of the substrate. The droplet spreading process can be divided into two stages of rapid and slow spreading, and there is an obvious interdiffusion phenomenon close to the solid-liquid contact line. The rate at which droplets spread quickens as the temperature rises. Furthermore, the spreading and diffusion capacities of various elements vary, and these properties are closely related to their chemical reactivity.

Keywords

• AgCuTi
• Wetting and spreading
• Precursor film
• lammps
• Molecular dynamics modeling