过冷Ni_3Al熔体形核的分子动力学模拟  

MOLECULAR DYNAMICS SIMULATION OF THE NUCLEATION IN A SUPERCOOLED LIQUID Ni_3Al

作　　者：赵毅[1] 赵九洲[1] 胡壮麒[1] 

机构地区：[1]中国科学院金属研究所,沈阳110016

出　　处：《金属学报》2008年第10期1157-1160,共4页Acta Metallurgica Sinica

基　　金：国家自然科学基金重大资助项目50395104~~

摘　　要：用分子动力学模拟方法研究了过冷Ni_3Al熔体的微观结构演变过程和晶态相形核的动力学细节.结果表明,非晶团簇在形核前已经消失,不参与形核过程;晶核为fcc结构和hcp结构的混合体,呈现不规则形状.The microstructure evolution of the supercooled Ni3Al melt and the kinetic details of the crystalline nucleation in the melt were investigated using the molecular dynamics simulation method. It is indicated that the no.crystal atomic clusters disappear from the melt before the beginning of the nucleation. The crystal nucleus is a random mixture of fcc structure and hcp structure and shows an irregular shape.

关 键 词：分子动力学模拟 形核 原子团簇 NiaAl熔体 过冷 

分 类 号：O561.1[理学—原子与分子物理]