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. Moreover, the temperature of transition into the superionic state only moderately depends on the pressure.

KEYWORDS:

• Superionic compounds
• thermodynamic anomalies
• melting line

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This work was supported by the Council of the President of the Russian Federation for State Support of Young Scientist [MD-6103.2021.1.2].