title: Parameterizing the Morse Potential for Coarse-Grained Modeling of Blood Plasma.
abstract: Multiscale simulations of fluids such as blood represent a major computational challenge of coupling the disparate spatiotemporal scales between molecular and macroscopic transport phenomena characterizing such complex fluids. In this paper, a coarse-grained (CG) particle model is developed for simulating blood flow by modifying the Morse potential, traditionally used in Molecular Dynamics for modeling vibrating structures. The modified Morse potential is parameterized with effective mass scales for reproducing blood viscous flow properties, including density, pressure, viscosity, compressibility and characteristic flow dynamics of human blood plasma fluid. The parameterization follows a standard inverse-problem approach in which the optimal micro parameters are systematically searched, by gradually decoupling loosely correlated parameter spaces, to match the macro physical quantities of viscous blood flow. The predictions of this particle based multiscale model compare favorably to classic viscous flow solutions such as Counter-Poiseuille and Couette flows. It demonstrates that such coarse grained particle model can be applied to replicate the dynamics of viscous blood flow, with the advantage of bridging the gap between macroscopic flow scales and the cellular scales characterizing blood flow that continuum based models fail to handle adequately.
authors.affiliation: Department of Applied Mathematics and Statistics, Stony Brook University, NY 11794, United States.
authors.forename: Na
authors.initials: N
authors.lastname: Zhang
authors.affiliation: Department of Biomedical Engineering, Stony Brook University, NY 11790, United States.
authors.forename: Peng
authors.initials: P
authors.lastname: Zhang
authors.affiliation: Center for Applied Physics and Technology, and College of Engineering, Peking University, Beijing 100871, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Kang
authors.affiliation: Department of Biomedical Engineering, Stony Brook University, NY 11790, United States.
authors.forename: Danny
authors.initials: D
authors.lastname: Bluestein
authors.affiliation: Department of Applied Mathematics and Statistics, Stony Brook University, NY 11794, United States.
authors.forename: Yuefan
authors.initials: Y
authors.lastname: Deng
keywords: Morse potential; blood plasma fluid; coarse-grained; inverse problems