Abstract
The phase-field crystal (PFC) method is a density-functional-type materials model with atomic resolution on diffusive timescale, and has been shown to be a robust tool for modeling materials phenomena. In this study, a pressure-controlled dynamic equation for the PFC model was developed to describe a system under externally applied hydrostatic pressure. The formulation is based on the established frameworks including the thermodynamics of solids, kinematics of deformation, and non-equilibrium thermodynamics. The proposed equation exhibits the tensile and compressive deformation rates that are different from those from the recently-proposed pressure-controlled dynamic equation. The derivation in this work also provides a framework that can be readily extended to describe a more complex system such as multi-component solid under non-hydrostatic stress.
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