Mesoscale microstructure models with self-consistent pressure and density variation

This work introduces a phase-field model that is thermodynamically self-consistent and capable of accurately quantifying pressure and density variations. This is crucial for understanding phase transformations and microstructure behaviour in materials, particularly at the nanoscale. The model's key features and derivation in the grand potential ensemble are discussed. To demonstrate its effectiveness, the model is compared with other phase-field formulations in a Gibbs-Thomson calculation, and its ability to calculate dendritic solidification growth rates and segregation behaviour is explored. Although the model is presented in the phase-field framework, the underlying thermodynamic theory can be broadly applied.