分子動力学法による内部エネルギーの温度依存性に関する研究

概要

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Recently, the microscopic structure of the material is analyzed by molecular dynamics method. Theinternal energy of the material is potential energy between the molecule of materials and kineticenergy of the molecules. It is very difficult to measure the internal energy of the material from anexperiment. We can calculate internal energy to analyze the behavior of the molecule by the moleculardynamics method. In this study, we analyzed it about the temperature dependence of the internalenergy. With a lot of argon molecules of the LJ potential, We lowered the setting temperature of thematerial slowly and calculated the change of the internal energy. As temperature lowers, the internalenergy decreases, but it is divided into three ranges by the state of the material. The internal energydecreases in gas and the liquid state slowly, but, by vapor-liquid coexistence, the change of theinternal energy becomes intense.
2010-12-01