• 제목/요약/키워드: 폰텐셜 에너지

검색결과 1건 처리시간 0.014초

분자동역학법에 의한 기액계면 분자의 운동특성에 관한 고찰 (A Study on the Characteristics of Molecular Motions on a Liquid-Vapor Interface by a Molecular Dynamics Method)

  • 김혜민;박권하;최현규;최순호
    • Journal of Advanced Marine Engineering and Technology
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    • 제29권1호
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    • pp.34-41
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    • 2005
  • An experimental study of molecular motions on a liquid-vapor interface is limited due to micro-scale characteristics of a system with an angstrom or a nanometer size Therefore, in recent, many studies for micro-scale systems have been conducted by a computer simulation because it is free from experimental limitations. In this study, through the molecular dynamic (MD) method. molecular behavior was clarified on a liquid-vapor interface and a criterion to distinguish between liquid and vapor was suggested by a potential energy and the number of neighboring molecules. At an interface. the potential energy of a molecule was increased but the number of neighboring molecules was decreased when the molecule moved into a vapor region from a liquid region, and vice versa.