Parameterizing the Morse potential for coarse-grained modeling of blood   plasma

doi:10.1016/j.jcp.2013.09.040

CORC > 北京大学 > 工学院

	Parameterizing the Morse potential for coarse-grained modeling of blood plasma
	Zhang, Na ; Zhang, Peng ; Kang, Wei ; Bluestein, Danny ; Deng, Yuefan
刊名	计算物理学杂志
	2014
关键词	Morse potential Inverse problems Coarse-grained Blood plasma fluid DISSIPATIVE PARTICLE DYNAMICS INDUCED PLATELET-AGGREGATION MOLECULAR-DYNAMICS SIMULATIONS WATER MECHANICS VISCOSITY FLUIDS
DOI	10.1016/j.jcp.2013.09.040
英文摘要	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. Published by Elsevier Inc.; Computer Science, Interdisciplinary Applications; Physics, Mathematical; SCI(E); PubMed; 2; ARTICLE; Yuefan.Deng@StonyBrook.edu; Pt A; 726-736; 257
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/188978]
专题	工学院
推荐引用方式 GB/T 7714	Zhang, Na,Zhang, Peng,Kang, Wei,et al. Parameterizing the Morse potential for coarse-grained modeling of blood plasma[J]. 计算物理学杂志,2014.
APA	Zhang, Na,Zhang, Peng,Kang, Wei,Bluestein, Danny,&Deng, Yuefan.(2014).Parameterizing the Morse potential for coarse-grained modeling of blood plasma.计算物理学杂志.
MLA	Zhang, Na,et al."Parameterizing the Morse potential for coarse-grained modeling of blood plasma".计算物理学杂志 (2014).