Melting line and thermodynamic properties of a supeionic compound SrCl2 by molecular dynamics simulation

YD Fomin, PHYSICS AND CHEMISTRY OF LIQUIDS, 60, 59-67 (2022).

DOI: 10.1080/00319104.2021.1916934

In the present paper we study the thermodynamic properties of superionic conductor SrCl (2) 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. Moreover, the temperature of transition into the superionic state only moderately depends on the pressure.

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