Molecular dynamics simulation of ion sputtering of the solutions of sodium and calcium chlorides

Abstract

The ionic sputtering of sodium chloride and calcium chloride solutions was studied by classical molecular dynamics method. It is shown that the ions of the solute transferred into the gas phase both in the form of hydrated ions and in the form of ion pairs in water clusters. The threshold character of the ions transfer process is established. The calculated transfer coefficients of water and anions are in a good agreement with the experimental data. The fraction of water molecules sputtered in the form of clusters increases with the energy inputted in the solution. The fraction of water clusters in the gas phase is 40% at the inputted energy is 45 kJ mol−1.