PNNL

Abstract

Diffuse-interface theory provides a foundation for the modeling and simulation of microstructure evolution in a very wide range of materials, and for the tracking/capturing of dynamic interfaces between different materials on larger scales. Smoothed particle hydrodynamics (SPH) is also widely used to simulate fluids and solids that are subjected to large deformations and have complex dynamic boundaries and/or interfaces, but no explicit interface tracking/capturing is required, even when topological changes such as fragmentation and coalescence occur, because of its Lagrangian particle nature. Here we developed an SPH model for single-two component singletwo- phase fluids that is based on diffuse-interface theory. In the model, the interface has a finite thickness and a surface tension that depend on the coefficient, k, of the gradient contribution to the Helmholtz free energy functional and the density dependent homogeneous free energy. In this model, there is no need to locate the surface (or interface) or to compute the curvature at and near the interface. One- and two-dimensional SPH simulations were used to validate the model.