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Melting behaviors of defective crystals under extreme conditions aretheoretically investigated using the statistical moment method. In ourtheoretical model, heating processes cause missing atoms or vacancies incrystal structures via dislocating them from their equilibrium positions. Thecoordination number of some atoms is assumed to be removed by one unit and thedefect depends on temperature and external pressure. We formulate analyticalexpressions to directly connect the equilibrium vacancy concentration, theelastic modulus, and the melting temperature. Numerical calculations arecarried out for six transition metals including Cu, Ag, Au, Mo, Ta, and W up to400 GPa. The obtained results show that vacancies strongly drive the meltingtransition. Ignoring the vacancy formation leads to incorrect predictions ofthe melting point. The good agreement between our numerical data and priorexperimental works validates the accuracy of our approach.

Modification of the Statistical Moment Method for the High-Pressure Melting Curve by the Inclusion of Thermal Vacancies