Three-dimensional simulation of biological ion channels under mechanical, thermal and fluid forces

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• 作者：Riccardo Sacco ; ^a ; ^{riccardo.sacco@polimi.it} ; Paolo Airoldi^a ; ^{paolo.airoldi@mail-polimi.it} ; Aurelio G. Mauri^a ; ^{aureliogiancarlo.mauri@polimi.it} ; Joseph W. Jerome^b ; ^{jwj620@email.gwu.edu}
• 关键词：Ionic transport ; Mechanics ; Fluid ; Interface conditions ; Numerical simulation ; Finite element method
• 刊名：Applied Mathematical Modelling
• 出版年：2017
• 出版时间：March 2017
• 年：2017
• 卷：43
• 期：Complete
• 页码：221-251
• 全文大小：4848 K
• 卷排序：43

文摘

We consider a multiphysics model for the simulation of nanoscale ionic channels. We propose a Poisson–Nernst–Planck system modified by channel fluid velocity and self-heating. We propose a thermo-mechanical Navier–Lame‘ model for channel deformation. We propose a Stokes system including electric pressure for electrolyte fluid flow. We validate models and methods on (1) a realistic voltage operated channel with K+ and Na+ ions; (2) the sodium-potassium pump.