A STUDY OF TEMPERATURE-DEPENDENT VALENCE BOND STRUCTURE OF TITANIUM

被引：1

作者：

XB Li YQ Xie YZ Nie HJ Peng HJ Tao and FX Yu College of Materials Science and Engineering Central South University Changsha China ^{[410083
]}

机构：

来源：

Acta Metallurgica Sinica(English Letters) | 2007年 / 01期

关键词：

valence bond structure; temperature; titanium;

D O I：

暂无

中图分类号：

TG113 [金相学（金属的组织与性能）];

学科分类号：

080502 ;

摘要：

On the basis of energy and shape method for the determination of the valence bond （VB） structures of crystal, the valence bond structure of titanium is redetermined at room temperature and calculated in the whole temperature range of 0-1943K. The outer shell electronic distribution of Ti is ec2.9907 · (sc0.4980 + dc2.4927) ef1.0093 in crystal. The temperature dependences of the VB structures of hcp and bcc phases are the same. The VB structures of hcp and bcc phases monotonically increase or decrease with the increase in temperature, but show discontinuous changes at the phase-transformation temperature 1155K.

引用

页码：27 / 34

页数：8