材料期刊网

TIGHT BINDING MOLECULA RDNAMICS SIMULATION FORH C_(60)COLLISION:APOSSIBILITY OF H@ C60

Y.T. Fang and C.L. Luo Departmentof Physics , Nanjing Normal University , Naniing 210097 , China

金属学报(英文版)

Collision between C60 — and Hatom areinvestigatedbytight binding molecular dynamicssimu lation . When Hatom with kineticenergy 5eVhitthecenter of a six membered ring of C60 — , or with kineticenergy 6ev hitsthecenterofa five memberedring of C60 , H@ C60 iscreated. Ifthekineticenergyislower,the Hatom staysoutside, and C60 is deformed bytheshock.

关键词: tight binding MD , null