Geometrical Analysis of Crystallization of the Soft-Core Model

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概要

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• With the use of the molecular dynamics method the crystallization process from supercooled fluid states is studied for the soft-core system of the pair potential φ(r)=ε(σ/r)^<12>, which has a simple property to characterize the relaxation towards crystalline states. The Voronoi polyhedron is introduced to examine local atomic configurations from topological point of view. Certain classes of polyhedra well characterize various phases, i.e., fluid, and bcc and fcc solids. The final relaxed state becomes a bcc crystalline state, when the system relaxes incompletely, while it becomes an fcc when the system relaxes perfectly. A unified way of defining a nucleus during the both crystallization processes is proposed. Growth of the nucleus suffers the effect of the periodic boundary condition imposed on the system.

• 理論物理学刊行会の論文
• 1977-10-25

著者

• Ogawa Tohru

  Max-planck-institut Fur Festkorperforshung

• UEDA Akira

  Department of Mathmatical Sciences, Osaka Prefecture University

• TANENURA Masaharu

  Institute of Statistical Mathematics

• HIWATARI Yasuaki

  Institute for Spectroscopic Study of Matter Faculty of Science, Kanagawa University

• MATSUDA Hirotsugu

  Department of Biology, Faculty of Science Kyusyu University

• OGITA Naofumi

  Institute of Physical and Chemical Research

• TANEMURA Masaharu

  Institute of Statistical Mathematics

• Ueda Akira

  Department Of Applied Mathematics And Physics Faculty Of Engineering Kyoto University

• Ogita Naofumi

  System Laboratory, Fujitsu Ltd.

• Hiwatari Yasuaki

  Institute For Spectroscopic Study Of Matter Faculty Of Science Kanagawa University

• Matsuda Hirotsugu

  Department Of Biology Faculty Of Science Kyusyu University

• Matsuda Hirotsugu

  Department Of Biology Faculty Of Science Kyushu University

• Matsuda Hiroaki

  Research Institute For Theoretical Physics Hiroshima University

• HIWATARI Yasuaki

  Institut fur Theoretische Physik ETH

• OGAWA Tohru

  Max-Planck-Institut fur Festkorperforschung

• MATSUDA Hirotsugu

  Department of Biology, Faculty of Science, Kyushu University

• UEDA Akira

  Department of Applied Mathematics and Physics, Faculty of Engineering Kyoto University

• Ueda Akira

  Department of Applied Mathematics and Physics, Kyoto University

• Matsuda Hiroaki

  Department of Biology, Kyushu University

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