Investigation of Elastic Properties, Hardness and Thermal Conductivity of New Superhard Material z-BC2N

doi:10.15541/jim20140463

Abstract

Abstract:

Based on the first-principles calculations, the elastic anisotropic properties, stress-strain relationship, hardness and minimum thermal conductivity of the superhard material z-BC₂N were investigated. Results show that the Pugh criterion B/G is 0.87, Poisson ratio is 0.084, and the universal elastic anisotropy index AU equals to 0.09992. The ultimate tensile strength along [100] crystal orientation is up to 180 GPa while the shear intensity ofdirection peaks at 160 GPa, and 77.07 GPa for the Vickers hardness of z-BC₂N. Based on Cahill model the calculated minimum thermal conductivity is 6.811 W/(m·K). Those data indicate that z-BC₂N belongs to brittle material with excellent mechanical properties such as the outstanding tensile strength and shear intensity, its bulk modulus is exactly isotropic and the Young's modulus witnesses a significant trend to be isotropic. Besides, z-BC₂N possesses a lower minimum thermal conductivity compared with diamond.

Key words: superhard materials, elastic constants, anisotropy, thermal conductivity

CLC Number:

TB321

WANG Jun-Peng, LI Feng, AO Jing, JIAO Li-Na, LI Chun-Mei, CHEN Zhi-Qian. Investigation of Elastic Properties, Hardness and Thermal Conductivity of New Superhard Material z-BC₂N[J]. Journal of Inorganic Materials, 2015, 30(5): 467-473.

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Investigation of Elastic Properties, Hardness and Thermal Conductivity of New Superhard Material z-BC₂N

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