Multiscale simulation of ion beam impacts on a graphene surface

K. B. Dybyspayeva, A. Zhuldassov, A. Ainabayev, A. F. Vyatkin, K. Alekseev, Z. Insepov

Research output: Contribution to journalArticle

Abstract

Multiscale 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.

Original languageEnglish
Article number012029
JournalJournal of Physics: Conference Series
Volume751
Issue number1
DOIs
Publication statusPublished - Sep 28 2016

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graphene
ion beams
craters
molecular dynamics
density functional theory
ion impact
simulation
point defects
Raman spectra
irradiation
thresholds
defects
gases
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Multiscale simulation of ion beam impacts on a graphene surface. / Dybyspayeva, K. B.; Zhuldassov, A.; Ainabayev, A.; Vyatkin, A. F.; Alekseev, K.; Insepov, Z.

In: Journal of Physics: Conference Series, Vol. 751, No. 1, 012029, 28.09.2016.

Research output: Contribution to journalArticle

Dybyspayeva, K. B. ; Zhuldassov, A. ; Ainabayev, A. ; Vyatkin, A. F. ; Alekseev, K. ; Insepov, Z. / Multiscale simulation of ion beam impacts on a graphene surface. In: Journal of Physics: Conference Series. 2016 ; Vol. 751, No. 1.
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