A simple analytical model of complex wall in multibody dissipative particle dynamics

• Published in: Journal of computational physics Vol. 396; pp. 416 - 426
• Main Authors: Mishra, A., Hemeda, A., Torabi, M., Palko, J., Goyal, S., Li, D., Ma, Y.
• Format: Journal Article
• Language: English
• Published: Cambridge Elsevier Inc 01.11.2019; Elsevier Science Ltd
• Subjects: Boundary conditions; Coarse grained method; Computational physics; Contact angle; Finite element method; Fluid-structure interaction; Integrals; Mathematical analysis; Mathematical models; Mesh-free method; Model accuracy; Multibody dissipative particle dynamics; Numerical simulations; Particle interactions; Variation; Wall boundary condition; Wetting; Multibody dissipative particle dynamics; Numerical simulations; Contact angle; Mesh-free method; Wall boundary condition; Coarse grained method
• ISSN: 0021-9991; 1090-2716
• DOI: 10.1016/j.jcp.2019.06.075

In the context of multibody dissipative particle dynamics (MDPD), a closed-form mathematical expression is developed to analytically model a complex wall. MDPD is a modified version of dissipative particle dynamics (DPD), a particle-based mesh free method. There have been several attempts to analytically model the influence of solid walls and non-periodic boundary conditions in the DPD approach. However, there is a limited number of studies for these boundary conditions associated with MDPD that capture static and dynamic fluid-structure interactions through direct modeling of fluid-solid particle interactions. This work, for the first time, employs an analytical model (integral approach) for the solid wall boundary condition in MDPD that brings substantial gain in computational efficiency and thus expands the scope of its applicability to curved or complex walls. Furthermore, a modified model of conservative force is used in the current investigation. The model is first normalized to address the discrepancies in wetting that exist in the present literature and is then validated through several benchmark studies and test cases, such as a Wenzel model. Moreover, comparisons between both the fully numerical and the semi-analytical (integral force model) approaches are drawn. Time efficiency, accuracy, density fluctuation in vicinity of solid wall, and limitations of the proposed model are thoroughly discussed. •A new solid wall boundary model for multibody dissipative particle dynamics model.•Clarification of discrepancies in control parameters of wetting properties in MDPD.•Demonstration of significant computational time saving with the new model.•Finding curvature effects on contact angles using MDPD simulations.