The Effect of Single-Atomic Ions on the Melting of Microscopic Ice Particles According to Molecular Dynamics Data

Abstract

Molecular dynamics simulation of microscopic ice particles containing Ca²⁺, F⁻, Cl⁻, Na⁺, and Li⁺ ions has been performed in the temperature range of 20–200 K. For all the systems under consideration, phase and structural transformations accompanying their heating have been studied in detail, and the melting points have been determined. The main attention has been focused on the determination of the mechanisms of the effect of ions on the phase state of microcrystals.