Structure and dynamics of molten SrCl₂

ABSTRACT

Strontium chloride is a well-known crystalline superionic conductor. Because of this, a lot of attention was paid to its properties in crystalline phase, especially in the vicinity of transition into the supeionic state. In the present paper, we perform a molecular dynamics study of structural and dynamic properties of liquid strontium chloride. We show that its structure only modestly depends on the temperature. At the same time, the dynamic properties, such as diffusion do demonstrate strong temperature dependence. We also discuss the presence of optical modes in molten SrCl₂

KEYWORDS:

• Molten salts
• structure of liquid
• diffusion coefficient
• velocity autocorrelation function
• optical modes

Disclosure statement

No potential conflict of interest was reported by the author.

Additional information

Funding

This work was supported by the Russian Foundation of Basic Research [18-02-00981].