Инд. авторы:	Korobeynikov S.N., Alyokhin V.V., Annin B.D., Babichev A.V.
Заглавие:	Quasi-static buckling simulation of single-layer graphene sheets by the molecular mechanics method
Библ. ссылка:	Korobeynikov S.N., Alyokhin V.V., Annin B.D., Babichev A.V. Quasi-static buckling simulation of single-layer graphene sheets by the molecular mechanics method // Mathematics and Mechanics of Solids. - 2015. - Vol.20. - Iss. 7. - P.836-870. - ISSN 1081-2865. - EISSN 1741-3028.
Внешние системы:	DOI: 10.1177/1081286514554353; SCOPUS: 2-s2.0-84938278771; WoS: 000358672300005;
Реферат:	eng: This paper presents a quasi-static nonlinear buckling analysis of compressed single-layer graphene sheets (SLGSs) using the molecular mechanics method. Bonded interactions between carbon atoms are simulated using a modified parameter set of the DREIDING force field that leads to better agreement between simulated mechanical properties of graphene and reference literature data than the standard parameter set of this force field (see Mayo et al., J Phys Chem 1990; 94: 8897-8909). Identification of constraints of atoms of the SLGS edges with the boundary conditions of clamped and simply supported thin plates is made. The buckling loads and modes obtained by linear and nonlinear buckling analysis of a compressed quadratic SLGS with a side length of 6nm are shown to be close to each other. In addition, it has been found by nonlinear buckling analysis that only equilibrium configurations with modes of initial post-buckling deformed configurations correlated with the one-half-wave column-like buckling mode have stable equilibrium configurations for clamped and simply supported SLGSs. As the edges of a simply supported SLGS approach each other, the geometry of this mode of post-buckling deformation with inclusion of the non-bonded van der Waals (vdW) interactions between carbon atoms becomes closer to the geometry of a single-walled carbon nanotube, and without inclusion of the vdW interactions, this mode has the geometry of a cylinder with a drop-shaped cross-section.
Ключевые слова:	HYDROCARBONS; NATURAL VIBRATIONS; INTERATOMIC POTENTIALS; FORCE-FIELD; FREE-VIBRATIONS; ELASTIC PROPERTIES; CARBON NANOTUBES; NONLOCAL PLATE MODEL; FINITE-ELEMENT-METHOD; NANO-STRUCTURED MATERIALS; computer simulation; quasi-static buckling; molecular mechanics method; Single-layer graphene sheet;
Издано:	2015
Физ. характеристика:	с.836-870