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Zhurnal Vychislitel'noi Matematiki i Matematicheskoi Fiziki, 2016, Volume 56, Number 12, Pages 2032–2041
DOI: https://doi.org/10.7868/S0044466916120097 (Mi zvmmf10492) 		 
This article is cited in 6 scientific papers (total in 6 papers)

Application of optimization methods for finding equilibrium states of two-dimensional crystals

Yu. G. Evtushenko, S. A. Lurie, M. A. Posypkin, Yu. O. Solyaev

Dorodnicyn Computing Center, Federal Research Center "Computer Science and Control", Russian Academy of Sciences, Moscow, Russia
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DOI: https://doi.org/10.7868/S0044466916120097
Abstract: A two-dimensional model of a multilayer material and a procedure for simulating its properties based on global optimization methods are proposed. This model is applied for the case of a two-dimensional crystal. Global minima of the interaction energy of the material's atoms are found, and geometric characteristics of its corresponding equilibrium states are described. The resulting lattices, in particular graphene's lattices, agree with experimental data, which confirms the validity of the proposed approach. This approach can be extended to a wider class of layered structures, and it can be used for determining the mechanical properties of materials.
Key words: two-dimensional crystals, optimization methods, graphene-like structures, equilibrium state.
Received: 19.04.2016
English version:
Computational Mathematics and Mathematical Physics, 2016, Volume 56, Issue 12, Pages 2001–2010
DOI: https://doi.org/10.1134/S0965542516120083
Bibliographic databases:
Document Type: Article
UDC: 519.658
Language: Russian
Citation: Yu. G. Evtushenko, S. A. Lurie, M. A. Posypkin, Yu. O. Solyaev, “Application of optimization methods for finding equilibrium states of two-dimensional crystals”, Zh. Vychisl. Mat. Mat. Fiz., 56:12 (2016), 2032–2041; Comput. Math. Math. Phys., 56:12 (2016), 2001–2010
Citation in format AMSBIB
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    • This publication is cited in the following 6 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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