Dynamic properties of AgI1 − xClx: A molecular dynamics study

The dynamic properties of AgI1 − xClx are studied by means of molecular dynamics simulation. We have shown how the ionic transport properties depend on temperature, pressure and concentration of the substituting ions. It is shown that the superionic transition temperature increases by the application of pressure. It is also shown that I ion is more mobile than Cl ion in spite of its large ionic radius. The temperature and pressure dependencies of the partial pair distribution functions have been also studied. In the superionic phase, the pair distribution functions exhibit the characteristic strongly damped behavior. It is also pointed out that the system in consideration has a tendency of phase separation.