Molecular Dynamics Study of the Mechanical Properties of the Grapheme-like  Titanium Carbide Ti2C

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Title	Molecular Dynamics Study of the Mechanical Properties of the Grapheme-like Titanium Carbide Ti2C
Authors	Borysiuk, Vadym Mykolaiovych Mochalin, V.N. Gogotsi, Y.
ORCID
Keywords	Two-dimensional material Titanium carbide Strain-stress curve Young modulus
Type	Article
Date of Issue	2014
URI	http://essuir.sumdu.edu.ua/handle/123456789/37233
Publisher	Sumy State University
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Citation	Proc. NAP 3, 01CBNM02 (2014)
Abstract	Molecular dynamics simulations have been performed to study the mechanical properties of two-dimensional titanium carbide under tensile deformation. Young modulus was calculated from the linear part of strain-stress curve. From the radial distribution function it is found that the structure of the simulated samples is preserved during the deformation process. Calculated values of the elastic constants are in good agreement with the DFT data.
Appears in Collections:	Наукові видання (ЕлІТ)