Ni/Zr双层膜中固态非晶化的分子动力学模拟  

MOLECULARDYNAMICS SIMULATION OF SOLIDSTATE AMORPHIZATION IN THE Ni/Zr BILAYER

作　　者：柳百新[1] 赖文生[1] 

机构地区：[1]清华大学材料科学和工程系

出　　处：《物理》1998年第8期451-453,共3页Physics

基　　金：国家自然科学基金

摘　　要：文章采用多体势，用分子动力学模拟研究了含有无序界面的Ｎｉ／Ｚｒ双层膜在等温退火下的自发非晶化过程．在原子尺度上首次观察到了Ｎｉ－Ｚｒ之间的互扩散和合金化，以及由此导致的从界面开始、由扩散控制的非晶化．On the basis of an n-body potential,a molecular-dynamics simulation for a Ni/Zr bilayer with a preset disordered interfacial layer was performed to investigate the vitrification process upon isothermal annealing at medium temperatures.Mutual diffusion and alloying between Ni and Zr layers were observed for the first time,which in turn resulted in a diffusion-controlled vitrification initiating from the interface.

关 键 词：固态非晶化 分子动力学模拟 双层膜 镍-锆 

分 类 号：O484.8[理学—固体物理]