INVESTIGATION OF THERMODYNAMICAL PROPERTIES OF PURE METALS USING MOLECULAR DYNAMICS

摘要

The dissemination of the scale above the freezing point temperature of silver can be carried out using high temperature standard platinum resistance (SPR) thermometers and thermocouples instead of radiation thermometry as the latter has poorer accuracies compared with the former. However, detailed knowledge of the thermodynamical properties of transition metals is required to understand resistance thermometers, thermocouples, and thermocouple materials. In this paper, a simulation program has been developed based on the Sutton and Chen potential for ten transition metals. From the simulation program thermodynamical properties of transition metals have been computed at different temperatures for the metals Pt, Pd, Au, and Rh. The thermodynamical properties computed display correlation with the Seebeck coefficient as the temperature varies.