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- W4286487969 abstract "In this article, the phase stability, elastic properties, and electronic structure of the β -Ti X ( X = Nb, Ta) alloy body-centered cubic (bcc) structure were systematically studied with the aid of first-principles calculations. The results show that the phase stability and elastic properties of the β -Ti X alloys are closely related to the contents of alloying element X . For β -Ti X alloys, the contents of Nb and Ta that satisfy their mechanical stability are 10% and 13%, respectively; at room temperature, both β -TiNb and β -TiTa alloys can reach a thermodynamically stable state when the content of Nb or Ta is 25%. In terms of elastic properties, the content of alloying element X is positively correlated with the elastic constant, Young’s modulus, and shear modulus of the β -Ti X alloys. The elastic modulus reaches its minimum when the X content is 25%, and the smallest direction of Young’s modulus appears in the <111> direction. The calculation results of the electronic structure show that the bonding strength between the Ti atom and X atom increases with the content of alloying element X , which leads to improvement of phase stability and elastic modulus." @default.
- W4286487969 created "2022-07-22" @default.
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- W4286487969 date "2022-07-22" @default.
- W4286487969 modified "2023-09-27" @default.
- W4286487969 title "Study on Stability and Elastic Properties of β-TiX (X=Nb, Ta) Alloys From First-Principles Calculations" @default.
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- W4286487969 doi "https://doi.org/10.3389/fmats.2022.932007" @default.
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