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  • Letter

Nonequilibrium thermodynamic foundation of the grand-potential phase field model

Jin Zhang1,*, James A. Warren2, and Peter W. Voorhees1

  • *Contact author: jzhang@northwestern.edu

Phys. Rev. E 111, L022104 – Published 25 February, 2025

DOI: https://doi.org/10.1103/PhysRevE.111.L022104

Abstract

Choosing the correct free energy functional is critical when developing thermodynamically consistent phase field models. We show that the grand-potential phase field model minimizes the Helmholtz free energy when mass conservation is imposed. While both functionals are at a minimum at equilibrium, the Helmholtz free energy decreases monotonically with time in the grand-potential phase field model, whereas the grand potential does not. Minimizing the grand potential implies a different problem where a system can exchange mass with its surroundings at every point, leading to a condition of isochemical potential and invalidating mass conservation of the system.

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