Elastic anisotropy and physical properties of semi-transition-metal borides: First-principles calculation

Yongmei Zhang; Dong Liu; Yindong Shi; Ziyi Sun; Li Wu; Yanqin Gao

doi:10.7567/1882-0786/ab57bd

Elastic anisotropy and physical properties of semi-transition-metal borides: First-principles calculation

Yongmei Zhang
, Dong Liu
, Yindong Shi
, Ziyi Sun
, Li Wu
, Yanqin Gao

North University of China
Hebei University of Engineering

科研成果: 期刊稿件 › 文章 › 同行评审

12 引用（Scopus）

摘要

The elastic anisotropy, mechanical and thermal properties of semi-transition-metal (TM) borides with I4/m symmetry have been investigated using the first-principles method. Compared with other TM₂B compounds, Cr₂B shows the most brittle and largest shear modulus, Young's modulus, Vickers hardness, Debye temperature (Θ_D) and minimum thermal conductivity (κ _min) with the relatively higher bulk modulus and fracture toughness. Due to the effect of volume, the slight difference has been found in the order of Θ_D and κ _min between Ta₂B and W₂B. Except Ti₂B, TM₂B compounds show weak elastic anisotropy.

源语言	英语
文章编号	015501
期刊	Applied Physics Express
卷	13
期	1
DOI	https://doi.org/10.7567/1882-0786/ab57bd
出版状态	已出版 - 1 1月 2020
已对外发布	是

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abstract = "The elastic anisotropy, mechanical and thermal properties of semi-transition-metal (TM) borides with I4/m symmetry have been investigated using the first-principles method. Compared with other TM2B compounds, Cr2B shows the most brittle and largest shear modulus, Young's modulus, Vickers hardness, Debye temperature (ΘD) and minimum thermal conductivity (κ min) with the relatively higher bulk modulus and fracture toughness. Due to the effect of volume, the slight difference has been found in the order of ΘD and κ min between Ta2B and W2B. Except Ti2B, TM2B compounds show weak elastic anisotropy.",

author = "Yongmei Zhang and Dong Liu and Yindong Shi and Ziyi Sun and Li Wu and Yanqin Gao",

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T2 - First-principles calculation

AU - Zhang, Yongmei

AU - Liu, Dong

AU - Shi, Yindong

AU - Sun, Ziyi

AU - Wu, Li

AU - Gao, Yanqin

PY - 2020/1/1

Y1 - 2020/1/1

N2 - The elastic anisotropy, mechanical and thermal properties of semi-transition-metal (TM) borides with I4/m symmetry have been investigated using the first-principles method. Compared with other TM2B compounds, Cr2B shows the most brittle and largest shear modulus, Young's modulus, Vickers hardness, Debye temperature (ΘD) and minimum thermal conductivity (κ min) with the relatively higher bulk modulus and fracture toughness. Due to the effect of volume, the slight difference has been found in the order of ΘD and κ min between Ta2B and W2B. Except Ti2B, TM2B compounds show weak elastic anisotropy.

AB - The elastic anisotropy, mechanical and thermal properties of semi-transition-metal (TM) borides with I4/m symmetry have been investigated using the first-principles method. Compared with other TM2B compounds, Cr2B shows the most brittle and largest shear modulus, Young's modulus, Vickers hardness, Debye temperature (ΘD) and minimum thermal conductivity (κ min) with the relatively higher bulk modulus and fracture toughness. Due to the effect of volume, the slight difference has been found in the order of ΘD and κ min between Ta2B and W2B. Except Ti2B, TM2B compounds show weak elastic anisotropy.

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JO - Applied Physics Express

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Elastic anisotropy and physical properties of semi-transition-metal borides: First-principles calculation

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