液态金属Ga的快速凝固模拟  

A simulation on rapid solidification of liquid metal Ga

作　　者：易双萍[1] 刘让苏[2] 李基永[2] 董科军[2] 

机构地区：[1]广东工业大学物理系,广州610643 [2]湖南大学物理系,长沙410082

出　　处：《中国有色金属学报》2001年第z2期257-260,共4页The Chinese Journal of Nonferrous Metals

基　　金：国家自然科学基金资助项目 (5 98710 16)

摘　　要：采用分子动力学方法对液态Ga的凝固过程进行了模拟研究。结果表明 ,与通常液态及非晶态金属相反 ,随着温度降低 ,与二十面体相关的 15 5 1键型数越来越少 ,而与菱面体相关的 1311,130 1和 12 0 1键型数目显著增加 ,最后形成以菱面体结构单元为主的非晶态结构。以 1.6 9× 10 12 K/s的速度冷却时 ,得到非晶态结构 ;以1.0 1× 10 11K/s的速度冷却时 ,发生晶化 ,结晶转变温度约为 14 4K。A simulation study on the solidification process of liquid metal Ga was performed by the molecular dynamics method. In contrast to ordinary liquid and amorphous alloys, the number of 1551 bonds related to the icosahedral structure becomes very smaller with the decrease of temperature, but the numbers of 1311, 1301, 1201 bonds related to the rhombohedral structure are increased remarkably. Finally, amorphous structures are formed mainly by rhombohedral structural units. The amorphous structures are formed with cooling rate of 1.69×10 12 ?K/s; while, the crystal structures are formed with cooling rate of 1.01×10 11 ?K/s. The crystallization temperature is 144?K. [

关 键 词：液态金属 结构转变 分子动力学 

分 类 号：TG111.4[金属学及工艺—物理冶金]