Toward a Physical Interpretation of Phase Field Models with Dynamic Boundary Conditions

TL;DR

This paper develops thermodynamically consistent phase field models with dynamic boundary conditions, clarifying the physical meaning of parameters and analyzing material exchange, energy transfer, and pattern formation.

Contribution

It introduces a physical interpretation for parameters in phase field models with dynamic boundary conditions and constructs generalized models using the Onsager principle.

Findings

Parameters relate to system's length scale and material exchange.

Phase variable differs between bulk and surface due to physical reasons.

Numerical simulations show how length and reversibility influence patterns.

Abstract

In recent decades, considerable research has been devoted to partial differential equations (PDEs) with dynamic boundary conditions. However, the physical interpretation of the parameters involved often remains unclear, which in turn limits both theoretical analysis and numerical computation. For instance, the Robin boundary condition used in thermodynamically consistent models with dynamic boundary conditions has been misinterpreted as representing a chemical reaction, or has been generalized in an unjustified manner in numerous works. In this paper, we treat the bulk and surface as a closed system and develop thermodynamically consistent phase field models to clarify the physical meaning of parameters in governing equations and boundary conditions, with particular focus on material and energy exchange between the bulk and surface by connecting it with the nanothermodynamics. Firstly, we commence with the mass and volume conservation law in the close system and elucidate the physical interpretation of the Robin boundary condition, demonstrating that the relevant parameters are connected to the system's characteristic length scale and play a crucial role on the exchanging of material and energy. Furthermore, our analysis justifies the physical necessity for the phase variable in the bulk to differ from that on the surface. Secondly, we construct four more general models capable of describing both irreversible and irreversible-reversible coupling processes using the generalized Onsager principle. Thirdly, we reveal that both conservation and dissipation laws simultaneously determine the mobility operator and free energy, which are two dual variables. Finally, we perform structure-preserving numerical simulations to systematically investigate how reversible processes and characteristic length affect pattern formation.