Influence of doping on the crystallization ability of mono-component materials
原子掺杂对单元材料结晶能力的影响

Recently, we developed a condensing potential model to predict the ability for materials to form single crystals, and it showed that the ability of mono-component materials (Ni, Al, Cu, Ar, Mg) increases monotonically with the increasing condensing potentials. The present work applied the condensing potential model to binary-component materials. Via molecular dynamics simulations, we investigated the influence of 6 wt% Al doping on the crystallization ability of Ni crystal and found that the doping heavily decreased the crystallization ability. Then a condensing potential model for binary-component materials was developed and was shown as a promising tool to predict the crystallization ability of binary-component materials.