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ALLOYING EFFECTS OF TRANSITION METALS ON BETA PHASE STABILITY OF Ti ALLOYS FROM FIRST-PRINCIPLES CALCULATIONS

机译：过渡金属对第一原理计算的Ti合金β相稳定性的合金作用

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The effects of transition elements X (X = V, Cr, Fe, Nb, Mo, Ta and W) on the phase stability of β-Ti alloys were studied from first-principles calculations. The enthalpy curves for the alpha-and beta-phases of Ti-X alloys were described as a function of the X concentration by using the calculated solution enthalpies and sub-regular solution model. While the enthalpies of the alpha-phases increased with increasing concentrations of transition elements X, the enthalpies of the beta-phases decreased with increasing concentrations. The β-stabilizing strength of solute elements in Ti alloys is gauged using the experimental critical concentration. We found a good linear correlation between the experimental critical concentration and the theoretical metastable equilibrium concentration at which the enthalpy of the alpha-phase is equal to that of the beta-phase.

机译：从第一原理计算研究了转变元素X（X = V，Cr，Fe，Nb，Mo，Ta和W）对β-Ti合金相位稳定性的影响。通过使用计算的溶液焓和亚常规溶液模型来描述Ti-X合金的α和β-阶段的α和β阶段的焓曲线作为X浓度的函数。虽然α-相的焓随着过渡元素X的浓度增加而增加，但β相的焓随着浓度的增加而降低。使用实验临界浓度测量Ti合金中溶质元素的β稳定强度。我们发现实验临界浓度与理论稳定性平衡浓度之间的良好线性相关性，其中α相的焓等于β相的焓。

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来源
《World Conference on Titanium》|2016年|3 v. (xxix 1970p.)|共5页
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作者
Tokuteru Uesugi; Syo Miyamae; Yorinobu Takigawa;
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正文语种
中图分类第Ⅳ族元素及其化合物;
关键词
first principles; titanium alloys; β-stability; enthalpy of solution; enthalpy of mixing;

机译：第一个原理;钛合金;β-稳定性;溶液焓;混合焓;

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2. Effect of Alloying Element X on Transformation Strains and Phase Stabilities between alpha '' and beta Ti-Nb-X (X = Al, Sn, Zr, Ta) Ternary Alloys from First-Principles Calculations [J] . Minami Daichi, Uesugi Tokuteru, Takigawa Yorinobu, Materials transactions . 2016,第3期

机译：从第一性原理计算，合金元素X对α''和βTi-Nb-X（X = Al，Sn，Zr，Ta）三元合金之间的转变应变和相稳定性的影响
3. Effects of Ta content on the phase stability and elastic properties of β Ti-Ta alloys from first-principles calculations [J] . C.Y. Wu, Y.H. Xin, X.F. Wang Solid state sciences . 2010,第12期

机译：通过第一性原理计算Ta含量对βTi-Ta合金相稳定性和弹性的影响
4. ALLOYING EFFECTS OF TRANSITION METALS ON BETA PHASE STABILITY OF Ti ALLOYS FROM FIRST-PRINCIPLES CALCULATIONS [C] . Tokuteru Uesugi, Syo Miyamae, Yorinobu Takigawa World Conference on Titanium . 2016

机译：过渡金属对第一原理计算的Ti合金β相稳定性的合金作用
5. Metallurgical and crack-tip mechanics effects on environment-assisted cracking of beta-Ti alloys in aqueous chloride. [D] . Somerday, Brian Paul. 1998

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6. Influence of Isothermal ω Transitional Phase-Assisted Phase Transition From β to α on Room-Temperature Mechanical Performance of a Meta-Stable β Titanium Alloy Ti−10Mo−6Zr−4Sn−3Nb (Ti-B12) for Medical Application [O] . Jun Cheng, Jinshan Li, Sen Yu, 2020

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7. Metal to semiconductor transition and phase stability of Ti1-xMgxNy alloys investigated by first-principles calculations [O] . Alling, Björn 2014

机译：通过第一性原理计算研究Ti1-xMgxNy合金的金属至半导体过渡和相稳定性

ALLOYING EFFECTS OF TRANSITION METALS ON BETA PHASE STABILITY OF Ti ALLOYS FROM FIRST-PRINCIPLES CALCULATIONS

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