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

TIGHT BINDING MOLECULA RDNAMICS SIMULATION FORH C_(60)COLLISION:APOSSIBILITY OF H@ C60
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摘要 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. 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.
出处 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1999年第4期531-533,共3页 金属学报(英文版)
关键词 tight binding MD H@ C60 tight binding MD, H@ C60
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