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A Journal of Russian Academy of Sciences
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IssuesArchive of Issues2007-5pp.663-671

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I. E. Berinskii, E. A. Ivanova, A. M. Krivtsov, and N. F. Morozov, "Application of moment interaction to the construction of a stable model of graphite crystal lattice," Mech. Solids. 42 (5), 663-671 (2007)
Year 2007 Volume 42 Number 5 Pages 663-671
Title Application of moment interaction to the construction of a stable model of graphite crystal lattice
Author(s) I. E. Berinskii (Institute of Problems of Mechanical Engineering, Russian Academy of Sciences, Bol’shoy pr-t 61, St. Petersburg, 199178, Russia, berigor@mail.ru)
E. A. Ivanova (Saint-Petersburg State Polytechnical University, Polytekhnicheskaya 29, St. Petersburg, 195251, Russia, ivanova@ei5063.spb.edu)
A. M. Krivtsov (Saint-Petersburg State Polytechnical University, Polytekhnicheskaya 29, St. Petersburg, 195251, Russia, krivtsov@nm.ru)
N. F. Morozov (Institute of Problems of Mechanical Engineering, Russian Academy of Sciences, Bol’shoy pr-t 61, St. Petersburg, 199178, Russia, morozov@nm1016.spb.edu)
Abstract The aim of the present paper is to construct and study a model of pair moment interaction between carbon atoms in the two-dimensional graphite lattice. The carbon atom is modeled by a structure consisting of three rigidly connected mass points located at the vertices of an equilateral triangle. The interaction between mass points is described by a pair force potential, but the total interatomic interaction contains moment components owing to the finite size of the structure modeling the atom. We compute rank 4 tensors characterizing the elastic properties of the graphite crystal lattice constructed on the basis of our model. We determine lattice stability criteria depending on the number of coordination spheres taken into account. We show that this model permits one to ensure stability of the graphite lattice but significantly underestimates the transverse-to-longitudinal interatomic coupling rigidity ratio. We construct a generalized moment potential that permits one to obtain a rigidity ratio consistent with experimental data.
References
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2.  D. W. Brenner, "Empirical Potential for Hydrocarbons for Use in Simulating the Chemical Vapor Deposition of Diamond Films," Phys. Rev. B 42, 9458-9471 (1990).
3.  A. M. Krivtsov, Deformation and fracture of solids with microstructure (Fizmatlit, Moscow, 2007) [in Russian].
4.  E. A. Ivanova, A. M. Krivtsov, N. F. Morozov, and A. D. Firsova, "Description of Crystal Packing of Particles with Torque Interaction," Izv. Akad. Nauk. Mekh. Tverd. Tela, No. 4, 110-127 (2003) [Mech. Solids (Engl. Transl.)].
5.  E. A. Ivanova, A. M. Krivtsov, and N. F. Morozov, "Obtaining Macroscopic Elasticity Relations for Complex Crystal Lattices with Moment Interactions Taken into Account at the Microlevel," Prikl. Mat. Mekh. 71 (4), 595-615 (2007) [J. Appl. Math. Mech. (Engl. Transl.)].
6.  R. V. Goldstein and A. V. Chentsov, "Discrete-Continuum Model of a Nanotube," Izv. Akad. Nauk. Mekh. Tverd. Tela, No. 4, 57-74 (2005) [Mech. Solids (Engl. Transl.)].
7.  I. S. Pavlov, "Elastic Waves in a 2D Granular Medium," in Problems of Strength and Plasticity. Collection of VUZ papers (Nizhniy Novgorod State University Press, Nizhnii Novgorod, 2005), No. 67, pp. 119-131 [in Russian].
8.  V. A. Gorodtsov and D. S. Lisovenko, "Elastic Properties of Graphite Rods and Multiwalled Carbon Nanotubes (Torsion and Extension)," Izv. Akad. Nauk. Mekh. Tverd. Tela, No. 4, 42-56 (2005) [Mech. Solids (Engl. Transl.)].
9.  A. P. Byzov and E. A. Ivanova, "Mathematical Simulation of Moment Interactions of Particles with Rotational Degrees of Freedom," Nauhno-tehniheskie vedomosti SPbGPU, No. 2 (2007).
10.  A. P. Byzov and E. A. Ivanova, "Interaction Potentials for Particles with Rotational Degrees of Freedon," in Modern Problems of Continuum Mechanics. Proc. IXth International Conference Dedicated to Academician I. I. Vorovich on the Occasion of His 85th Birthday, Rostov-on-Don, October 2005 (TsVVR, Rostov-on-Don, 2006), Vol. 2, pp. 47-51 [in Russian].
Received 06 April 2007
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