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The Nonlinear Elasticity of Hexagonal Ti₂C Monolayer from First-Principles Calculations

Publisher： Trans Tech Publications

E-ISSN： 1662-9752|2015|833|150-153

ISSN： 0255-5476

Source： Materials Science Forum, Vol.2015, Iss.833, 2015-12, pp. : 150-153

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

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Abstract

In this work, the nonlinear elasticity of hexagonal Ti₂C monolayer is studied by first-principles calculations. The second-and third-order elastic constants were calculated using nonlinear elasticity theory. The nonlinear stress-strain relationship depending on higher order elastic constants was also revealed. The intrinsic breaking strength and corresponding breaking strain were deduced as 11.9 N/m at the maximum strain 16.6% for Ti₂C monolayer.

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