A molecular dynamics study on melting point and specific heat of Ni3Al alloy

被引：0
|
作者：
YANG Hong
机构：
来源：
Science China(Physics,Mechanics & Astronomy) | 2007年 / 04期
基金：
中国国家自然科学基金;
关键词：
Ni3Al alloy; undercooled; melting point; specific heat;
D O I：
暂无
中图分类号：
O414.13 [相变];
学科分类号：
080701 ;
摘要：
Using the Embedding Atom Method(EAM)for highly undercooled Ni3Al alloy,the melting point and the specific heat were studied by a molecular dynamics simula-tion.The simulation of melting point was carried out by means of the sandwich method and the NVE ensemble method,and the results show a good agreement,whereas are larger than the experimental value of 1663 K.This difference is attrib-uted to the influence of surface melting on experimental results,which causes the smaller measurements compared with the thermodynamic melting point.The simulated specific heat of Ni3Al alloy weakly and linearly increases with the in-crease of undercooling in the temperature range from 800 K to 2000 K.
引用
收藏
页码：407 / 413
页数：7
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