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

Shun Wang; Jing Xiao Li; Yuan Yuan Ou; Yu Lei Du

doi:10.4028/www.scientific.net/MSF.833.150

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HomeMaterials Science ForumMaterials Science Forum Vol. 833The Nonlinear Elasticity of Hexagonal Ti2C...

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

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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Materials Science Forum (Volume 833)

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150-153

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https://doi.org/10.4028/www.scientific.net/MSF.833.150

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Online since:

November 2015

Authors:

Shun Wang, Jing Xiao Li, Yuan Yuan Ou, Yu Lei Du*

Keywords:

MXene, Nonlinear Elasticity, Ti₂C, Two-Dimensional

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References

[1] M. Naguib, O. Mashtalir, J. Carle, V. Presser, J. Lu, L. Hultman, Y. Gogotsi and M.W. Barsoum: ACS Nano Vol. 6 (2012), p.1322.

DOI: 10.1021/nn204153h

Google Scholar

[2] M. Khazaei, M. Arai, T. Sasaki, C.Y. Chung, N.S. Venkataramanan, M. Estili, Y. Sakka and Y. Kawazoe: Adv. Funct. Mater. Vol. 23 (2013), p.2185.

DOI: 10.1002/adfm.201202502

Google Scholar

[3] O. Mashtalir, M. Naguib, V.N. Mochalin, Y. Dall'Agnese, M. Heon, M.W. Barsoum and Y. Gogotsi: Nat. Commun. Vol. 4 (2013), p.1716.

DOI: 10.1038/ncomms2664

Google Scholar

[4] M. Naguib, V.N. Mochalin, M.W. Barsoum and Y. Gogotsi: Adv. Mater. Vol. 26 (2014), p.992.

Google Scholar

[5] C. Lee, X. Wei, J.W. Kysar and J. Hone: Science Vol. 321 (2008), p.385.

Google Scholar

[6] E. Cadelano, P. Palla, S. Giordano and L. Colombo: Phys. Rev. Lett. Vol. 102 (2009), p.235502.

Google Scholar

[7] X. Wei, B. Fragneaud, C. Marianetti and J. Kysar: Phys. Rev. B Vol. 80 (2009), p.205407.

Google Scholar

[8] M. Kurtoglu, M. Naguib, Y. Gogotsi and M.W. Barsoum: MRS Commun. Vol. 2 (2012), p.133.

Google Scholar

[9] S. Wang, J.X. Li, Y.L. Du and C. Cui: Comput. Mater. Sci. Vol. 83 (2014), p.290.

Google Scholar

[10] P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka and J. Luitz: WIEN2k (Technische Universität Wien, Austria 2001).

Google Scholar

[11] M. Topsakal, S. Cahangirov and S. Ciraci: Appl. Phys. Lett. Vol. 96 (2010), p.091912.

Google Scholar

[12] R. Wang, S. Wang, X. Wu and X. Liang: Physica B Vol. 405 (2010), p.3501.

Google Scholar

[13] B. Wang, Y. Liu, Y. Liu and J.W. Ye: Physica B Vol. 407 (2012), p.2542.

Google Scholar

[14] I.R. Shein and A.L. Ivanovskii: Comput. Mater. Sci. Vol. 65 (2012), p.104.

Google Scholar

[15] Q. Peng, C. Liang, W. Ji and S. De: Phys. Chem. Chem. Phys. Vol. 15 (2013), p. (2003).

Google Scholar