钛合金β固溶体价电子结构与合金元素的作用机制

刘伟东; 屈华

doi:10.15980/j.tzzz.2015.02.003

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钛合金β固溶体价电子结构与合金元素的作用机制
Valence Electron Structures of β Solid Solutions and Mechanism of Alloy Elements in Titanium Alloy
2015年35卷第2期页码：123-126
纸质出版日期： 2015 ，
DOI： 10.15980/j.tzzz.2015.02.003

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[1]刘伟东,屈华.钛合金β固溶体价电子结构与合金元素的作用机制[J].特种铸造及有色合金,2015,35(02):123-126.

Liu Weidong, Qu Hua. Valence Electron Structures of β Solid Solutions and Mechanism of Alloy Elements in Titanium Alloy[J]. Special Casting & Nonferrous Alloys, 2015,35(2):123-126.
[1]刘伟东,屈华.钛合金β固溶体价电子结构与合金元素的作用机制[J].特种铸造及有色合金,2015,35(02):123-126. DOI： 10.15980/j.tzzz.2015.02.003.

Liu Weidong, Qu Hua. Valence Electron Structures of β Solid Solutions and Mechanism of Alloy Elements in Titanium Alloy[J]. Special Casting & Nonferrous Alloys, 2015,35(2):123-126. DOI： 10.15980/j.tzzz.2015.02.003.

摘要

基于固体与分子经验电子理论

计算分析了钛合金β固溶体的价电子结构

进而从电子结构层次分析了合金元素对钛合金固相转变的影响。研究发现

含某种合金元素的β固溶体的最强共价键上的共价电子对数nA值越大

该元素的固溶强化作用越强;nA值越大

β固溶体最强键越难断裂

α/（α+β）固相转变温度越低;反之

α/（α+β）固相转变温度越高;共价电子密度ρc值越大

β固溶体越稳定

（α+β）/β固相转变的温度越低;反之

（α+β）/β固相转变的温度越高

ρc越大

nA越小

β固溶体的（α+β）两相区越窄;反之

ρc越小

nA越大

（α+β）两相区越宽。

Abstract

Based on the empirical electron theory of solids and molecules（EET）

the valence electron structures（VES）of solid solution was calculated and the mechanism of alloy elements of titanium alloy was analyzed from valence electron view.It is shown that the bigger the share electron pairs nAin the strongest valence band

the more the solution strengthening effect of alloy element of solid solution.The bigger nAis

the more difficult for the strongest band to be broken up

the lower the solid phase transition temperature ofα/（α+β）.The bigger the covalence electron densityρc

the more stable solid solution

and the more the effect of alloy element onα/（α+β）phase transition

the lower the phase transition temperature.The biggerρcis

the smaller nAis

the narrower the（α+β）two-phase region of solid solution.On the contrary

with the decrease ofρc

nAis increased

so the（α+β）two-phase region is enlarged.