论文标题
相位场模型的热力学一致的动态边界条件
Thermodynamically consistent dynamic boundary conditions of phase field models
论文作者
论文摘要
我们提出了一种一般的建设性方法，可以在广泛的Onsager原理下得出热力学一致的模型和一致的动态边界条件。该方法由两个步骤组成：动态方程是由大量的广义onsager原理确定的，然后首先是表面化学势和热力学一致的边界条件，随后通过在边界上应用广义的Onsager原理来制定。在两步中，普遍的Onsager原理的应用策略可在散装以及边界中的一致边界条件以及一致的边界条件以及一致的边界条件以及一致的边界条件以及必须在散装中的非负熵生产率（或等温病例中等效的非阳性能量耗散率）。我们说明了使用两组热力学一致的动态边界条件进行详细阐述的二元材料的相位场模型。这两种类型的边界条件在跨边界质量通量参与边界表面动力学方面有所不同。然后，我们证明许多现有的热力学一致性，二进制相位场模型及其动态或静态边界条件都是从这种方法中得出的。作为例证，我们从数值上显示了动态边界条件如何使用二进制相位场模型影响整体中的晶体生长。
We present a general, constructive method to derive thermodynamically consistent models and consistent dynamic boundary conditions hierarchically following the generalized Onsager principle. The method consists of two steps in tandem: the dynamical equation is determined by the generalized Onsager principle in the bulk firstly, and then the surface chemical potential and the thermodynamically consistent boundary conditions are formulated subsequently by applying the generalized Onsager principle at the boundary. The application strategy of the generalized Onsager principle in two-step yields thermodynamically consistent models together with the consistent boundary conditions that warrant a non-negative entropy production rate (or equivalently non-positive energy dissipation rate in isothermal cases) in the bulk as well as at the boundary. We illustrate the method using phase field models of binary materials elaborate on two sets of thermodynamically consistent dynamic boundary conditions. These two types of boundary conditions differ in how the across boundary mass flux participates in boundary surface dynamics. We then show that many existing thermodynamically consistent, binary phase field models together with their dynamic or static boundary conditions are derivable from this method. As an illustration, we show numerically how dynamic boundary conditions affect crystal growth in the bulk using a binary phase field model.
