Multiscale simulation of ion beam impacts on a graphene surface

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dc.contributor.authorDybyspayeva, K. B.
dc.contributor.authorZhuldassov, A.
dc.contributor.authorAinabayev, A.
dc.contributor.authorVyatkin, A. F.
dc.contributor.authorAlekseev, K.
dc.contributor.authorInsepov, Z.
dc.date.accessioned2017-09-27T03:17:26Z
dc.date.available2017-09-27T03:17:26Z
dc.date.issued2016-09
dc.description.abstractMultiscale study of single and multilayer graphene irradiation is presented in this paper. Ab-initio density-functional theory (DFT) was used to study point defects, and a large scale parallel molecular-dynamics (MD) simulations were used for studying formation of gas cluster ion impacts. Moreover, Raman spectra of pure and defect graphene samples were studied from DFT calculations. Threshold energies for creating craters on the surface of graphene were obtained from MD and compared with published papers. The results of simulations were also compared with experimental craters and surface shape.ru_RU
dc.identifier.citationDybyspayeva, K. B., Zhuldassov, A., Ainabayev, A., Vyatkin, A. F., Alekseev, K., & Insepov, Z. (2016, September). Multiscale simulation of ion beam impacts on a graphene surface. In Journal of Physics: Conference Series (Vol. 751, No. 1, p. 012029). IOP Publishing.ru_RU
dc.identifier.uridoi:10.1088/1742-6596/751/1/012029
dc.identifier.urihttp://nur.nu.edu.kz/handle/123456789/2702
dc.language.isoenru_RU
dc.publisherIOP Publishingru_RU
dc.rightsOpen Access - the content is available to the general publicru_RU
dc.rightsAttribution-NonCommercial-ShareAlike 3.0 United States*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/3.0/us/*
dc.subjectgraphene irradiationru_RU
dc.subjection beamru_RU
dc.subjectgrapheneru_RU
dc.subjectMolecular Dynamics (MD)ru_RU
dc.titleMultiscale simulation of ion beam impacts on a graphene surfaceru_RU
dc.typeConference Paperru_RU

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