Behavior of Specific Heat and Self-Diffusion Coefficient of Sodium Near Transition Temperature: A Molecular Dynamics Study

摘要

Liquid metals are used as heat transfer fluids in nuclear reactors and as working fluids for power cycles in space-power generating systems. Sodium metal is becoming a promising coolant in FBR type reactors. Sodium metal is not only used in nuclear industry but also has many industrial applications. It was decided to study the thermodynamic properties of sodium both in the liquid and solid phase near the transition point, by the computer simulation technique of Molecular Dynamics (MD). The study was limited to the determination of specific heat and diffusion coefficient only. In liquid state the MD values calculated matched the experimental ones. But in solid state the diffusion coefficient obtained were not consistent with the one expected for a solid, rather the values obtained suggested that sodium remained in liquid state even below the melting point. Further studies are envisaged in order to resolve the discrepancy.