Wetting Behavior of Zn Droplets on Fe Surfaces: Insights from Molecular Dynamics Simulations.

The liquid metal embrittlement (LME) induced by Zn melts in advanced high strength steels has seriously hindered their wide application in various industries. Microscopically, wetting is the precursor for LME; it is therefore crucial to understand the wetting of Zn melts on Fe surfaces. Molecular dynamics simulations were conducted to investigate the wetting behavior of Zn droplets on Fe(001), Fe(110), and Fe(111) surfaces from both thermodynamics and dynamics aspects.