%0 Journal Article
%T SURFACE ENERGY OF NiAl ALLOY CALCULATED BY MOLECULAR DYNAMICS SIMULATION<br>NiAl表面能的分子动力学计算
%A SHA Xianwei
%A ZHANG Xiumu
%A CHEN Kuiying
%A LI Yiyi
%A <br>沙宪伟
%A 张修睦
%A 陈魁英
%A 李依依
%J 金属学报
%D 1996
%I 
%X Via embedded atom type potential and molecular dynamics simulation, surface energies of four low index lattice planes at six different temperatures have been calculated for B2 stoichiometric NiAl alloy. Surface energy increases gradually with the temperature; the closest-packed plane has the lowest surface energy: surface reaction such as reconstruction and compositional preference occurs on some specific surfaces at high temperature. Calculation of surface energy has also been performed for fcc structure Ni with similar method, and the results coincide with the known experiments.
%K surface energy
%K NiAl
%K molecular dynamics
%K embedded atom type potential<br>表面能
%K 分子动力学
%K 镍铝合金
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=5B3AB970F71A803DEACDC0559115BFCF0A068CD97DD29835&cid=AB188D3B70B071C57EB64E395D864ECE&jid=B061E1135F1CBDEE96CD96C109FEAD65&aid=BEF33E531200CFE56097242C6A3DD592&yid=8A15F8B0AA0E5323&vid=9971A5E270697F23&iid=708DD6B15D2464E8&sid=01A9864A3FFB986F&eid=DA7365F2D81A3FCE&journal_id=0412-1961&journal_name=金属学报&referenced_num=1&reference_num=3