Open AccessInfluence of doping on the crystallization ability of mono-component materials
Author(s) -
Kun Peng,
Ming Chen,
Ye Xiang-Xi,
Wenxian Zhang,
Jun Zhuang,
Xi-Jing Ning
Publication year - 2010
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.59.7245
Subject(s) - crystallization , materials science , component (thermodynamics) , doping , binary number , work (physics) , crystal (programming language) , molecular dynamics , thermodynamics , chemical physics , computational chemistry , computer science , chemistry , physics , optoelectronics , arithmetic , mathematics , programming language
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.