Efficient calculation of phase coexistence and phase diagrams: application to a binary phase-field crystal model
Max Philipp Holl,
Andrew J. Archer,
Uwe Thiele
Abstract:We show that one can employ well-established numerical continuation methods to efficiently calculate the phase diagram for thermodynamic systems. In particular, this involves the determination of lines of phase coexistence related to first order phase transitions and the continuation of triple points. To illustrate the method we apply it to a binary Phase-Field-Crystal model for the crystallisation of a mixture of two types of particles. The resulting phase diagram is determined for one-and two-dimensional dom… Show more
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