Symmetry boundary condition in dissipative particle dynamics
Dissipative particle dynamics (DPD) is a coarse-grained particle method for modeling mesoscopic hydrodynamics. Most of the DPD simulations are carried out in 3D requiring remarkable computation time. For symmetric systems, this time can be reduced significantly by simulating only one half or one quarter of the systems. However, such simulations are not yet possible due to a lack of schemes to treat symmetric boundaries in DPD. In this study, we propose a numerical scheme for the implementation of the symmetric boundary condition (SBC) in both dissipative particle dynamics (DPD) and multibody dissipative particle dynamics (MDPD) using a combined ghost particles and specular reflection (CGPSR) method. We validate our scheme in four different configurations. The results demonstrate that our scheme can accurately reproduce the system properties, such as velocity, density and meniscus shapes of a full system with numerical simulations of a subsystem. Using a symmetric boundary condition for one half of the system, we demonstrate about 50% computation time saving in both DPD and MDPD. This approach for symmetric boundary treatment can be also applied to other coarse-grained particle methods such as Brownian and Langevin Dynamics to significantly reduce computation time.
symmetry boundary condition dissipative particle dynamics mesoscale