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Surface Fluctuating Hydrodynamics Methods for the Drift-Diffusion Dynamics of Proteins and Microstructures within Curved Lipid Bilayer Membranes

ORAL · Invited

Abstract

We introduce surface fluctuating hydrodynamics approaches for investigating transport and fluid-structure interactions arising in cell mechanics within curved lipid bilayer membranes. We focus particularly on drift-diffusion dynamics of interacting proteins and microstructures. We show how a mesoscale stochastic description of the mechanics can be formulated (SPDEs) accounting for geometric contributions, hydrodynamic coupling, and thermal fluctuations. The underlying stochastic equations (SPDEs) pose practical challenges for use in simulations, including, (i) a need for accurate and stable discretizations of geometric terms and differential operators on curved geometries, (ii) techniques for hydrodynamics handling surface incompressibility constraints, and (iii) stiffness from rapid time-scales introduced by the thermal fluctuations. We show how practical spectral methods and meshfree computational approaches can be developed for simulations over long spatial-temporal scales. We then present results for protein and microstructure interactions within membranes and the roles played by hydrodynamic coupling and geometry.

Publication: Surface Fluctuating Hydrodynamics Methods for the Drift-Diffusion Dynamics of Particles and Microstructures within Curved Fluid Interfaces, D. Rower, M. Padidar, and P. J. Atzberger, Journal of Computational Physics, 455, (2022)<br>https://doi.org/10.1016/j.jcp.2022.110994<br><br>Meshfree Methods on Manifolds for Hydrodynamic Flows on Curved Surfaces: A Generalized Moving Least-Squares (GMLS) Approach, B. J. Gross, N. Trask, P. Kuberry, and P. J. Atzberger, Journal of Computational Physics, Vol. 409, 15 May (2020)<br>https://doi.org/10.1016/j.jcp.2020.109340<br><br>Protein Drift-Diffusion Dynamics and Phase Separation in Curved Cell Membranes and Dendritic Spines: Hybrid Discrete-Continuum Methods, P. Tran, T. Blanpied, P., and P. J. Atzberger, APS Phys. Rev. E, 106, 044402, (2022)<br>https://doi.org/10.1103/PhysRevE.106.044402<br><br>Hydrodynamic Coupling of Particle Inclusions Embedded in Curved Lipid Bilayer Membranes, J.K. Sigurdsson and P.J. Atzberger, 12, 6685-6707, Soft Matter, The Royal Society of Chemistry, (2016)<br>http://dx.doi.org/10.1039/C6SM00194G

Presenters

  • Paul J Atzberger

    University of California, Santa Barbara

Authors

  • Paul J Atzberger

    University of California, Santa Barbara