Melting line and thermodynamic properties of a supeionic compound SrCl2 by molecular dynamics simulation
Abstract
In the present paper we study the thermodynamic properties of superionic conductor SrCl2 at high temperatures by means of molecular dynamics method. Firstly, we calculate the melting line. Then we compute the equations of state and the response functions (heat capacity, thermal expansion coefficient, etc) at the temperatures up to the melting. We show that the response functions show maxima or minima at the temperatures well above the temperature of transition into the conductive state, and therefore are not related to this transition.
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