分子動力学法を用いた氷の結晶成長に関する研究 [in Japanese] Molecular Dynamics Simulation Study of Ice Crystal Growth [in Japanese]
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Molecular dynamics simulation studies of the ice crystal growth from its surface were performed, and the temperature dependence of the growth rate of crystal and the melting temperature of the system including ice-water interface wer investigated. Distinction between ice crystal and liquid water was obtained using the method based on the mobility of water molecules, and the growth rate of ice crystal was estimated from it. The corresponding results were also obtained from the time variation of total enthalpy, density profile along the direction normal to the interface and configuration of molecules. The results show that the crystal growth occurred in the limited region of temperature, which range is about 30K, and the temperature dependence of the growth rate of ice crystal has the maximum around 275K. When the temperature is higher than around 295K, the ice crystal facing to the liquid water began to melt. The melting temperature of the system including the ice-water interface was slightly lower than the result obtained from the melting simulation using the bulk ice crystal.
Trans.JSRAE 14(2), 179-190, 1997-07-31
Japan Society of Refrigerating and Air Conditioning Engineers