Mistry, Bhaven A

VCU Scholars Compass

Virginia Commonwealth UniversityVCU Scholars CompassBiology and Medicine Through MathematicsConference 2016May 21st, 5:30 PM - 8:00 PMBrownian Dynamics Simulation of PressureInduced Pore-Transport through anIncommensurate ChannelBhaven A. MistryUniversity of California, Los Angeles, bamistry@ucla.eduFollow this and additional works at: http://scholarscompass.vcu.edu/bammThis Event is brought to you for free and open access by the Dept. of Mathematics and Applied Mathematics at VCU Scholars Compass. It has beenaccepted for inclusion in Biology and Medicine Through Mathematics Conference by an authorized administrator of VCU Scholars Compass. Formore information, please contact libcompass@vcu.edu.http://scholarscompass.vcu.edu/bamm/2016/May21/13Brownian Dynamics Simulation of Pressure Induced Pore-Transport through an Incommensurate Channel   Cells and organelles use pores embedded in their protective membranes to facilitate the transport of materials (ions, molecules, proteins, etc.) between their lumen and the surrounding environment. In the case of passive transport, flow of homogeneous particles through a pore channel can be driven by a non-equilibrium pressure differential. Previous work has modeled this system using random walks in a discrete state space of positions along the channel length. We extend this model to the continuum using Brownian dynamics simulation and include the Frenkel-Kontorova model by factoring the pair-wise interaction between the flowing particles and a periodic potential associated with the channel. The interplay between the equilibrium spacing of the particles and the intrinsic period of the channel's potential wells can result in spontaneous formations of pairs of incommensurations in the particle distribution throughout the channel lattice. We characterize these incommensurations as heavy and light domain walls and investigate how their movement and interactions facilitate pressure induced channel flow.  

Brownian Dynamics Simulation of Pressure Induced Pore-Transport through an Incommensurate Channel

http://scholarscompass.vcu.edu/cgi/viewcontent.cgi?article=1007&context=bamm

Brownian Dynamics Simulation of Pressure Induced Pore-Transport through an Incommensurate Channel

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