nonlinear elasticity of borocarbide superconductor yni2b2c: a first-principles study

nonlinear elasticity of borocarbide superconductor yni2b2c: a first-principles study

;Lili Liu;Cai Chen;Dingxing Liu;Zhengquan Hu;Gang Xu;Rui Wang
bulletin of the korean chemical society 2017 Vol. 2017 pp. -
235
liu2017advancesnonlinear

Abstract

First-principles calculations combined with homogeneous deformation methods are used to investigate the second- and third-order elastic constants of YNi2B2C with tetragonal structure. The predicted lattice constants and second-order elastic constants of YNi2B2C agree well with the available data. The effective second-order elastic constants are obtained from the second- and third-order elastic constants for YNi2B2C. Based on the effective second-order elastic constants, Pugh’s modulus ratio, Poisson’s ratio, and Vickers hardness of YNi2B2C under high pressure are further investigated. It is shown that the ductility of YNi2B2C increases with increasing pressure.

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ID: 145707
Ref Key: liu2017advancesnonlinear
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145707
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10.1155/2017/9038151
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