Coarse-grained methods for heterogeneous vesicles with phase-separated domains: elastic mechanics of shape fluctuations, plate compression, and channel insertion

DOI10.1016/J.MATCOM.2023.02.020arXiv1901.05085OpenAlexW4323275369MaRDI QIDQ6104705FDOQ6104705

Authors: David A. Rower, Paul J. Atzberger 

Publication date: 28 June 2023

Published in: Mathematics and Computers in Simulation (Search for Journal in Brave)

Abstract: We develop coarse-grained particle approaches for studying the elastic mechanics of vesicles with heterogeneous membranes having phase-separated domains. We perform simulations both of passive shape fluctuations and of active systems where vesicles are subjected to compression between two plates or subjected to insertion into narrow channels. Analysis methods are developed for mapping particle configurations to continuum fields with spherical harmonics representations. Heterogeneous vesicles are found to exhibit rich behaviors where the heterogeneity can amplify surface two-point correlations, reduce resistance during compression, and augment vesicle transport times in channels. The developed methods provide general approaches for characterizing the mechanics of coarse-grained heterogeneous systems taking into account the roles of thermal fluctuations, geometry, and phase separation.

Full work available at URL: https://arxiv.org/abs/1901.05085

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zbMATH Keywords

simulationstatistical mechanicsmembranesstochastic numerical methodsscientific computationcoarse-grained methodsdiscrete-continuum methods

Mathematics Subject Classification ID

Mechanics of deformable solids (74-XX) Fluid mechanics (76-XX)

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Cited In (3)

• Energetic variational approaches in modeling vesicle and fluid interactions
• A Nitsche-type variational formulation for the shape deformation of a single component vesicle
• Isogeometric analysis of hydrodynamics of vesicles using a monolithic phase-field approach

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