First-Principles Calculations of High-Pressure Physical Properties of Ti<sub>0.5</sub>Ta<sub>0.5</sub> Alloy

First-Principles Calculations of High-Pressure Physical Properties of Ti<sub>0.5</sub>Ta<sub>0.5</sub> Alloy

In this paper, an in-depth theoretical study on some physical properties of Ti<sub>0.5</sub>Ta<sub>0.5</sub> alloy with systematic symmetry under high pressure is conducted via first-principles calculations, and relevant physical parameters are calculated. The results demonst...

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Bibliographic Details
Main Authors: Fang Yu, Yu Liu
Format: Article
Language:English
Published: MDPI AG 2020-05-01
Series:Symmetry
Subjects:
Ti<sub>0.5</sub>Ta<sub>0.5</sub> alloy
first-principles calculations
density functional theory
high pressure
elastic moduli
anisotropy factors
Online Access:https://www.mdpi.com/2073-8994/12/5/796

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https://www.mdpi.com/2073-8994/12/5/796

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