氷の融解・水の凍結過程に関する分子動力学法による最近の研究第1報 : 水/氷の挙動に焦点を当てた分子動力学法に関する最近の研究 Recent Study on Ice Melting and Water Freezing using Molecular Dynamics Method 1 st report : Recent Study on Molecular Dynamics Method for Water/Ice Behavior
Water is very useful and important in many industrial areas, as well as for human life. Hence it is necessary to investigate the behavior of water, both in macro scale and in micro scale. In a case of water near the melting temperature, potential energy due to hydrogen bonding becomes very important. For example, water has a density inversion at 4 degree C, ice is lighter than liquid water, and soon. Thus, in this report, recent studies on molecular dynamics method for water and ice behavior were introduced. There are various kinds of models for water and various methods to calculate. Each model and each calculating method behave differently from one another. Hence, selection of model and calculating method are very important to study the behavior of water. In order to obtain molecular behavior as close to the one in nature as possible, models for water and calculating methods are introduced, briefly.
日本冷凍空調学会論文集 16(1), 1-10, 1999-03-31
Japan Society of Refrigerating and Air Conditioning Engineers