COMPUTER SIMULATION OF RADIATION DEFECTS IN CARBON NANOSTRUCTURE OF GRAPHEN
Abstract
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.
References
2. Пул Ч, Оуэнс Ф. Нанотехнологии. М., Техносфера, 2007.-374с.
3. Рит M. Наноконструирование в науке и технике. М-И, 2005- 160с
4. Новикова Л.С., Панасюк М.И.Новые наукоемкие технологии в технике. Воздействие космической среды на материалы и оборудование космических аппаратов.- М.:ЭНЦИТЕХ, 2000.-100 с.
5. Акишин А.И., Бондаренко Г., Быков Д.В. Физика воздействия концентрированных потоков энергии на материалы.- М.: Изд-во УНЦ ДО, 2003.- 418 с.
6. Fuller T. In-situ observation of the formation and stability of single fullerene molecules under electron irradiation // Chem.Phys.Lett.- 1996.-№ 254.- P. 55-59.
7. Неволин В. Зондовые технологии в электронике. М., Техносфера, 2006-160с
8. Ching-hwa Kiang. Electron irradiation induced dimensional change in carbon nanotubes // Carbon.- 2000.-№ 38.-С. 1699-1701.
9. Krasheninnikov A.V. Formation of ion-irradiation-induced defects in carbon nanotubes // Phys.Rev. B.- 2001.- V.63.- P. 245-247.