Abstract:
Three-dimensional carbon diamond-like phases consisting of sp3-hybridized atoms, obtained by linking of carcasses of fullerene-like molecules, are studied by methods of molecular dynamics modeling. For eight cubic and one hexagonal diamond-like phases on the basis of four types of fullerene-like molecules, equilibrium configurations are found and the elastic constants are calculated. The results obtained by the method of molecular dynamics are used for analytical calculations of the elastic characteristics of the diamond- like phases with the cubic and hexagonal anisotropy. It is found that, for a certain choice of the dilatation axis, three of these phases have negative Poisson’s ratio, i.e., are partial auxetics. The variability of the engineering elasticity coefficients (Young’s modulus, Poisson’s ratio, shear modulus, and bulk modulus) is analyzed.
Citation:
D. S. Lisovenko, Yu. A. Baimova, L. Kh. Rysaeva, V. A. Gorodtsov, S. V. Dmitriev, “Equilibrium structures of carbon diamond-like clusters and their elastic properties”, Fizika Tverdogo Tela, 59:4 (2017), 801–809; Phys. Solid State, 59:4 (2017), 820–828
\Bibitem{LisBaiRys17}
\by D.~S.~Lisovenko, Yu.~A.~Baimova, L.~Kh.~Rysaeva, V.~A.~Gorodtsov, S.~V.~Dmitriev
\paper Equilibrium structures of carbon diamond-like clusters and their elastic properties
\jour Fizika Tverdogo Tela
\yr 2017
\vol 59
\issue 4
\pages 801--809
\mathnet{http://mi.mathnet.ru/ftt9623}
\crossref{https://doi.org/10.21883/FTT.2017.04.44286.100}
\elib{https://elibrary.ru/item.asp?id=29257197}
\transl
\jour Phys. Solid State
\yr 2017
\vol 59
\issue 4
\pages 820--828
\crossref{https://doi.org/10.1134/S106378341704014X}
Linking options:
https://www.mathnet.ru/eng/ftt9623
https://www.mathnet.ru/eng/ftt/v59/i4/p801
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