COMPUTER SIMULATION OF RADIATION DEFECTS IN CARBON NANOSTRUCTURE OF GRAPHEN

Autor: A.M. Ilyin, R.R. Nemkaeva, M.U. Ospanova, M.I. Kim, O.G. Dokuchaeva
Jazyk: English<br />Kazakh<br />Russian
Rok vydání: 2008
Předmět:
Zdroj: Вестник. Серия физическая, Vol 27, Iss 3, Pp 111-115 (2008)
Druh dokumentu: article
ISSN: 1563-0315
2663-2276
Popis: This work contains results of computer experiments by simulation and investigation of radiation defects in carbon nanostructure of graphen. The calculations of structure relaxation in vacancy zone were carried out by quantum-chemical methods; the relaxation’s influences on defect’s energetic were estimated. Stable configuration of three- dimensional defect arising during adsorption of knocked atom by graphite plane was found. Bond energy of this defect was defined.
Databáze: Directory of Open Access Journals