Fluctuating Free-Volume Analysis of the Soft-Core Model of High-Density Fluid States
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概要
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The high-density fluid states of the soft core system are analysed in terms offluctuating free volumes which are defined with use of atomic configurationssimulated by a molecular dynamics method. Statistical properties of fluctuatingfree volumes are examined. They can be classified into extensive and intensivetvr>es. The fraction of intensive free volumes increases rather rapidly above /)'-0.7, where p' is defined by p(e/kT)"' and p=No'/ V. This fact is well correlatedwith the dynamic as well as the static features of the system found previously.The Helmholtz free energy is derived in terms of mean free volumes under Singer'sassumption. It is in a good agreement with the result obtained by computerexperiments, but the difference between them is systematic. It is overestimatedfor stable fluid states, and underestimated for metastable supercooled fluid states.
- 社団法人日本物理学会の論文
- 1978-07-15
著者
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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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Ichimura Takao
Department Of Applied Mathematics And Physics Faculty Of Engineering Kyoto University
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Akira Ueda
Department Of Applied Mathematics And Physics Faculty Of Engineering Kyoto University
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Ichimura Takao
Department of Anatomy, Kagawa Medical University
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