A Wang–Landau Monte Carlo Simulation of Melting in fcc Lennard-Jones System
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概要
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We investigate the melting transition of the Lennard-Jones system using Wang–Landau Monte Carlo simulation. The obtained results show an abrupt increase of the density of states at a critical energy and as a result discontinuous changes in the internal energy and slope of the free energy appear which are typical features of first-order transition. The transition temperature is in agreement with previous simulation studies despite that the present model is basically the cell model. We discuss the role of the correlation effects and multiple occupation in a cell for melting transition based on our simulation results. Finally a conceivable melting mechanism is presented based on the present model.
- 2010-08-15
著者
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Takizawa Satoshi
Division Of Materials Science And Engineering Graduate School Of Engineering Hokkaido University
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Mohri Tetsuo
Division Of Materials Science And Engineering Faculty Of Engineering Hokkaido University
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Satoshi Takizawa
Division of Materials Science and Engineering, Graduate School of Engineering, Hokkaido University, Sapporo 060-8628, Japan
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Sato Kazufumi
Division of Materials Science and Engineering, Graduate School of Engineering, Hokkaido University, Sapporo 060-8628
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Kazufumi Sato
Division of Materials Science and Engineering, Graduate School of Engineering, Hokkaido University, Sapporo 060-8628, Japan
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Tetsuo Mohri
Division of Materials Science and Engineering, Graduate School of Engineering, Hokkaido University, Sapporo 060-8628, Japan
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