摘要
采用分子动力学方法对液态金属Ａ１及其凝固过程中的微观结构转变特性进行了模拟研究，发现在１８００～３５０Ｋ的温度区间内，对全局结构组态起重要作用的ＨＡ键型组态有１５５１、１５４１、１４３１、１３１１、１３２１和１４２２等，其中以１５５１键型组态最为显著，它在全过程的微观结构转变中起着主导作用。
A simulation study on the transition properties of microstructures in liquid metal Al and its solidification process has been performed by molecular dynamics method. It has been found that in the range of temperature of 1 800～350 K, the 1551, 1541, 1431, 1311, 1321, and 1422 bond-types represented by Honeycutt-Andersen(HA) index play an important role for the entire structure configuration. Of these bond types the 1551 bond type is the most remarkable, which plays a leading role during the whole process of microstructure transitions and is the decisive factor for the second peak of the pair distribution function g(r) being changed from a smooth sine peak into two split secondart peaks via a platform during the transition process
出处
《中国有色金属学报》
EI
CAS
CSCD
北大核心
1997年第3期81-84,共4页
The Chinese Journal of Nonferrous Metals
基金
国家自然科学基金
湖南省自然科学基金
关键词
液态金属
凝固过程
微观结构转变
铝
liquid metal solidification process microstructure transition computer simulation
