Computer Simulation for the Melting Curve Maximum Phenomenon : Two-Species Soft-Core Model
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概要
- 論文の詳細を見る
Computer simulations by a Monte Carlo method are carried out for the two-species soft-core model to demonstrate and example of the melting curve maximum phenomena observed in many substances. In this model, atoms are assumed to have one excited intermal level in which they have an effective radius smaller than that in the ground level. The atoms interact with each other through a soft-core potential with the inverse power 12. The effective radius of the soft core depends on the radii of relevant atoms. The density dependences of presure and of free energy are obtained for the fluid and the single occupancy branches, respectively. The phase diagram in the temperature vs pressure plane is derived, showing a melting curve maximum, at which the melting transition occurs accompanying an entropy discontinuity without any volume change. The entropy discontinuity at melting is found to increase with increasing pressure around the melting curve maximum point. The obtained radial distibution functions have neither an extra shoulder nor a subsidiary peak even in the mixing region of the two species.
- 理論物理学刊行会の論文
- 1977-08-25
著者
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Ogura Hisakazu
Department Of Human And Artificial Intelligent Systems Faculty Of Engineering University Of Fukui
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Ogura Hisakazu
Department Of Biology Faculty Of Education Okayama University
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Ogawa Tohru
Max-planck-institut Fur Festkorperforshung
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UEDA Akira
Department of Mathmatical Sciences, Osaka Prefecture University
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MATSUDA Hirotsugu
Department of Biology, Faculty of Science Kyusyu University
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OGITA Naofumi
Institute of Physical and Chemical Research
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Ueda Akira
Department Of Applied Mathematics And Physics Faculty Of Engineering Kyoto University
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Ogita Naofumi
System Laboratory, Fujitsu Ltd.
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Matsuda Hirotsugu
Department Of Biology Faculty Of Science Kyusyu University
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Matsuda Hirotsugu
Department Of Biology Faculty Of Science Kyushu University
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Ogura Hisakazu
Department Of Physics Kyoto University
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Matsuda Hiroaki
Research Institute For Theoretical Physics Hiroshima University
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OGURA Hisakazu
Department of Human and Artificial Intelligent Systems, Faculty of Engineering, University of Fukui
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OGURA Hisakazu
Department of Physics, Kyoto University
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OGAWA Tohru
Max-Planck-Institut fur Festkorperforschung
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UEDA Akira
Department of Applied Mathematics and Physics, Faculty of Engineering Kyoto University
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Ueda Akira
Department of Applied Mathematics and Physics, Kyoto University
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Matsuda Hiroaki
Department of Biology, Kyushu University
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