Thermodynamic properties of potassium at 160 and 308 K

Abstract

We have carried out a computer simulation of the properties of solid potassium near its melting point and at half the way to melting. In the present study we have made use of the recently derived pseudopotential of Dagens, Rasolt, and Taylor. We have calculated the elastic constants, the thermodynamic Grüneisen parameter, the pressure, the energy, and the specific heat at both 160 and 308 K, using a system composed of 250 potassium atoms of which each particle is allowed to interact with its 112 closest neighbors. Periodic boundary conditions have been invoked in order to simulate an ideal infinite system. We compare our results with those available from experimental studies and find very good agreement between the two. This indicates that the pseudopotential used in the present study is a reliable one.