%0 Journal Article
%T Study of the point defect, Re site, and Re cluster in Re embedded Ni3Al using the embedded atom method<br>嵌入原子法研究Ni3Al中点缺陷以及Re择优占位和集团化
%A Yu Song
%A Wang Chong-Yu
%A Yu Tao
%A <br>于 松
%A 王崇愚
%A 于 涛
%J 物理学报
%D 2007
%I 
%X An analytical embedded atom method model of Ni-Al-Re system is constructed on the basis of the physical properties of pure constituents Ni, Al, and Re. The characteristic properties of Ni3Al, including equilibrium lattice constant, elastic constants, cohesive energy, vacancy formation energy, and antisite defect formation energy, are calculated. The types of point defects in Ni3Al are discussed, and it is shown that the point defect is the antisite defect in the nonstoichiometric case. Furthermore, the occupation site of Re in Ni3Al is analyzed, the clustering of Re in Ni3Al and Ni are also studied. The calculation results show that the occupational site of Re is the Al site, and that the growth tendency of Re cluster becomes weak when the size of Re cluster reaches to 11?. The present calculations are in agreement with the experiment and the theoretical results obtained by other authors.
%K embedded atom method
%K Ni3Al
%K Re
%K occupational site
%K cluster<br>嵌入原子势
%K Ni3Al
%K Re
%K 占位
%K 集团化
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=340D854A8CFA0E15&yid=A732AF04DDA03BB3&vid=014B591DF029732F&iid=B31275AF3241DB2D&sid=79BD017EBAEF8519&eid=FB716921F2C277AB&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=40