Molecular dynamics simulation of the phase behavior of AgI1-xClx
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The temperature and pressure dependencies of the structure and transport properties of AgI1-xClx are studied by means of molecular dynamics. From the results of the calculations, the P-T phase diagram for the AgI0.8Cl0.2 system has been obtained. The phase diagram indicates that the superionic phase transition temperature increase with the application of pressure. It is also pointed out that AgI1-xClx has a tendency of phase separation.
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