한국재료학회지 (Korean Journal of Materials Research)

  • 제1권2호
  • /
  • Pages.86-92
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  • 1991
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  • 1225-0562(pISSN)
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  • 2287-7258(eISSN)
한국재료학회 (Materials Research Society of Korea)
권호 표지

3체 인력이 탄소 cluster들의 안정도에 미치는 효과

Effects of Three-Body Interactions on the Stability of Small Carbon Clusters

  • Lee, Jong-Mu (Department of Metallurgical Engineering, Inha University)
  • 발행 : 1991.08.01
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초록

Morse potential을 변형한 2체항(2-body tem)과 Axilrod-Teller potential을 변형한 3체항(3-body tem)으로 구성된 포텐셜에너지 함수를 사용하여 $C_2-C_6$ cluster 동소체들의 에너지들의 에너지를 3체항 세기인자(3-body intensity factor)의 함수로 나타냄으로써 3체 인력의 기여도의 증가함에 따라 carbon cluster들의 구조는 open structure로부터 closed structure로, 또한 복잡한 구조로부터 단순한 구조, 즉 3차원적인 형태로부터 2차원 및 1차원적인 형태로 변해감을 알 수 있었다.

A potential energy function comprising a two-body potential term which is modified form Morse potential and a three-body potential term which is modified from Axilrod-Teller potential has been developed for small carbon clusters. The structural changes of small carbon clusters $C_2-C_6$ are qualitatively investigated by employing this potential energy function representing the energies of the small carbon cluster isotopes as a function of the three body intensity factor. It is found that the structure of the small carbon cluster changes from open structure to closed one, from complicated structure to simple one, and from three-dimensional structure to two-or-one dimensional one as the degree of the three-body interaction increases.

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참고문헌

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