Analysis of the effect of alloy elements on allotropic transformation in titanium alloys with the use of cohesive energy

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• 作者：Cheng Lin^a ; ^{Cheng_lin1979@163.com" class="auth_mail" title="E-mail the corresponding author} ; Guili Yin^a ; Yongqing Zhao^b ; Jianzhong Wang^a
• 关键词：Titanium alloys ; Phase transformations ; Modeling ; Thermodynamics ; Electronic band structure
• 刊名：Computational Materials Science
• 出版年：2016
• 出版时间：January 2016
• 年：2016
• 卷：111
• 期：Complete
• 页码：41-46
• 全文大小：1089 K

文摘

A simple model to account for the effect of alloy elements on allotropic transformation in titanium alloys is described using the cohesive energies calculated with the self-consistent bond length difference (SCBLD) method in the empirical electron theory (EET) of solids and molecules. The results indicate the total cohesive energy $(S{\bar{E}}_{\text{c}})$ as well as cohesive energy difference $(\mathrm{螖}{\bar{E}}_{\text{c}})$ for 伪 and 尾 phases can be used to investigate the influence of alloying elements on the allotropic transformation of 尾 to 伪. Moreover, the deterministic model agrees well with the experimental results.