Viscous regularization and r-adaptive remeshing for finite element analysis of lipid membrane mechanics

As two-dimensional fluid shells, lipid bilayer membranes resist bending and stretching but are unable to sustain shear stresses. This property gives membranes the ability to adopt dramatic shape changes. In this paper, a finite element model is developed to study static equilibrium mechanics of membranes. In particular, a viscous regularization method is proposed to stabilize tangential mesh deformations and improve the convergence rate of nonlinear solvers. The Augmented Lagrangian method is used to enforce global constraints on area and volume during membrane deformations. As a validation of the method, equilibrium shapes for a shape-phase diagram of lipid bilayer vesicle are calculated. These numerical techniques are also shown to be useful for simulations of three-dimensional large-deformation problems: the formation of tethers (long tube-like exetensions); and Ginzburg-Landau phase separation of a two-lipid-component vesicle. To deal with the large mesh distortions of the two-phase model, modification of vicous regularization is explored to achieve r-adaptive mesh optimization

Computing stationary free-surface shapes in microfluidics

A finite-element algorithm for computing free-surface flows driven by arbitrary body forces is presented. The algorithm is primarily designed for the microfluidic parameter range where (i) the Reynolds number is small and (ii) force-driven pressure and flow fields compete with the surface tension for the shape of a stationary free surface. The free surface shape is represented by the boundaries of finite elements that move according to the stress applied by the adjacent fluid. Additionally, the surface tends to minimize its free energy and by that adapts its curvature to balance the normal stress at the surface. The numerical approach consists of the iteration of two alternating steps: The solution of a fluidic problem in a prescribed domain with slip boundary conditions at the free surface and a consecutive update of the domain driven by the previously determined pressure and velocity fields. ...Comment: Revised versio

3D mesh processing using GAMer 2 to enable reaction-diffusion simulations in realistic cellular geometries

Recent advances in electron microscopy have enabled the imaging of single cells in 3D at nanometer length scale resolutions. An uncharted frontier for in silico biology is the ability to simulate cellular processes using these observed geometries. Enabling such simulations requires watertight meshing of electron micrograph images into 3D volume meshes, which can then form the basis of computer simulations of such processes using numerical techniques such as the Finite Element Method. In this paper, we describe the use of our recently rewritten mesh processing software, GAMer 2, to bridge the gap between poorly conditioned meshes generated from segmented micrographs and boundary marked tetrahedral meshes which are compatible with simulation. We demonstrate the application of a workflow using GAMer 2 to a series of electron micrographs of neuronal dendrite morphology explored at three different length scales and show that the resulting meshes are suitable for finite element simulations. This work is an important step towards making physical simulations of biological processes in realistic geometries routine. Innovations in algorithms to reconstruct and simulate cellular length scale phenomena based on emerging structural data will enable realistic physical models and advance discovery at the interface of geometry and cellular processes. We posit that a new frontier at the intersection of computational technologies and single cell biology is now open.Comment: 39 pages, 14 figures. High resolution figures and supplemental movies available upon reques

Geometric Surface Processing and Virtual Modeling

In this work we focus on two main topics "Geometric Surface Processing" and "Virtual Modeling". The inspiration and coordination for most of the research work contained in the thesis has been driven by the project New Interactive and Innovative Technologies for CAD (NIIT4CAD), funded by the European Eurostars Programme. NIIT4CAD has the ambitious aim of overcoming the limitations of the traditional approach to surface modeling of current 3D CAD systems by introducing new methodologies and technologies based on subdivision surfaces in a new virtual modeling framework. These innovations will allow designers and engineers to transform quickly and intuitively an idea of shape in a high-quality geometrical model suited for engineering and manufacturing purposes. One of the objective of the thesis is indeed the reconstruction and modeling of surfaces, representing arbitrary topology objects, starting from 3D irregular curve networks acquired through an ad-hoc smart-pen device. The thesis is organized in two main parts: "Geometric Surface Processing" and "Virtual Modeling". During the development of the geometric pipeline in our Virtual Modeling system, we faced many challenges that captured our interest and opened new areas of research and experimentation. In the first part, we present these theories and some applications to Geometric Surface Processing. This allowed us to better formalize and give a broader understanding on some of the techniques used in our latest advancements on virtual modeling and surface reconstruction. The research on both topics led to important results that have been published and presented in articles and conferences of international relevance

Modelling fluid deformable surfaces with an emphasis on biological interfaces

Fluid deformable surfaces are ubiquitous in cell and tissue biology, including lipid bilayers, the actomyosin cortex or epithelial cell sheets. These interfaces exhibit a complex interplay between elasticity, low Reynolds number interfacial hydrodynamics, chemistry and geometry, and govern important biological processes such as cellular traffic, division, migration or tissue morphogenesis. To address the modelling challenges posed by this class of problems, in which interfacial phenomena tightly interact with the shape and dynamics of the surface, we develop a general continuum mechanics and computational framework for fluid deformable surfaces. The dual solid–fluid nature of fluid deformable surfaces challenges classical Lagrangian or Eulerian descriptions of deforming bodies. Here, we extend the notion of arbitrarily Lagrangian–Eulerian (ALE) formulations, well-established for bulk media, to deforming surfaces. To systematically develop models for fluid deformable surfaces, which consistently treat all couplings between fields and geometry, we follow a nonlinear Onsager formalism according to which the dynamics minimizes a Rayleighian functional where dissipation, power input and energy release rate compete. Finally, we propose new computational methods, which build on Onsager’s formalism and our ALE formulation, to deal with the resulting stiff system of higher-order partial differential equations. We apply our theoretical and computational methodology to classical models for lipid bilayers and the cell cortex. The methods developed here allow us to formulate/simulate these models in their full three-dimensional generality, accounting for finite curvatures and finite shape changes. This article has been published in a revised form in Journal of fluid mechanics

Modelling fluid deformable surfaces with an emphasis on biological interfaces

This article has been published in a revised form in Journal of fluid mechanics, http://dx.doi.org/10.1017/jfm.2019.341. This version is free to view and download for private research and study only. Not for re-distribution, re-sale or use in derivative works. © 2019Fluid deformable surfaces are ubiquitous in cell and tissue biology, including lipid bilayers, the actomyosin cortex or epithelial cell sheets. These interfaces exhibit a complex interplay between elasticity, low Reynolds number interfacial hydrodynamics, chemistry and geometry, and govern important biological processes such as cellular traffic, division, migration or tissue morphogenesis. To address the modelling challenges posed by this class of problems, in which interfacial phenomena tightly interact with the shape and dynamics of the surface, we develop a general continuum mechanics and computational framework for fluid deformable surfaces. The dual solid–fluid nature of fluid deformable surfaces challenges classical Lagrangian or Eulerian descriptions of deforming bodies. Here, we extend the notion of arbitrarily Lagrangian–Eulerian (ALE) formulations, well-established for bulk media, to deforming surfaces. To systematically develop models for fluid deformable surfaces, which consistently treat all couplings between fields and geometry, we follow a nonlinear Onsager formalism according to which the dynamics minimizes a Rayleighian functional where dissipation, power input and energy release rate compete. Finally, we propose new computational methods, which build on Onsager’s formalism and our ALE formulation, to deal with the resulting stiff system of higher-order partial differential equations. We apply our theoretical and computational methodology to classical models for lipid bilayers and the cell cortex. The methods developed here allow us to formulate/simulate these models in their full three-dimensional generality, accounting for finite curvatures and finite shape changes.Peer ReviewedPostprint (author's final draft