Many vesicles have a spherical resting shape and exposure to fluid flows induces an exchange between sub-optical area and visible (systematic) deformation, while the total area is conserved. The dynamics which controls the exchange between sub-optical and visible area depends on membrane properties such as bending rigidity and initial tension. Conversely, observation of these dynamics can be used to determine the membrane properties. The goal of this work is to create a general numerical model which accounts for the exchange between sub-optical and visible area. Unlike prior modeling efforts, the model does not pre-assume a shape type, such as nearly-spherical, or applied flow field, allowing the model to capture a wider variety of flow conditions. Based on implicit interface tracking and using a volume-preserving multiphase Navier-Stokes solver, the model is compared to several experimental results, showing excellent agreement. It is used to explore regimes not possible with previously published models, such as the variable viscosity case, and how these system properties influence experimentally measurable parameters such as deformation parameter. By creating a more generalized framework for the modeling of vesicles with sub-optical area, it will now be possible to make predictions on vesicle material properties from a wider variety of experimental results.
We calculate the stress tensor for a quasi-spherical vesicle and we thermally average it in order to obtain the actual, mechanical, surface tension $τ$ of the vesicle. Both closed and poked vesicles are considered. We recover our results for $τ$ by differentiating the free-energy with respect to the proper projected area. We show that $τ$ may become negative well before the transition to oblate shapes and that it may reach quite large negative values in the case of small vesicles. This implies that spherical vesicles may have an inner pressure lower than the outer one.
We study the phase behavior of multicomponent lipid bilayer vesicles that can exhibit intriguing morphological patterns and lateral phase separation. We use a modified Landau-Ginzburg model capable of describing spatially uniform phases, microemulsions, and modulated phases on a spherical surface. We calculate its phase diagram for multiple vesicle sizes using analytical and numerical techniques as well as Monte Carlo simulations. Consistent with previous studies on planar systems, we find that thermal fluctuations move phase boundaries, stabilizing phases of higher disorder. We also show that…
Tank-treading, tumbling and trembling are different types of the vesicle behavior in an external flow. We derive a dynamical equation for nearly spherical vesicles enabling to establish a phase diagram of the system predicting the regimes. The diagram is drawn in terms of two dimensionless parameters depending on the vesicle excess area, fluid viscosities, membrane viscosity and bending modulus, strength of the flow, and ratio of the elongational and rotational components of the flow. The tank-treading to tumbling transition occurs via a saddle-node bifurcation whereas the tank-treading to tre…
Within the framework of the Helfrich elastic theory of membranes and of differential geometry we study the possible instabilities of spherical vesicles towards double bubbles. We find that not only temperature, but also magnetic fields can induce topological transformations between spherical vesicles and double bubbles and provide a phase diagram for the equilibrium shapes.
We analytically derive an equation describing vesicle evolution in a fluid where some stationary flow is excited regarding that the vesicle shape is close to a sphere. A character of the evolution is governed by two dimensionless parameters, $S$ and $Λ$, depending on the vesicle excess area, viscosity contrast, membrane viscosity, strength of the flow, bending module, and ratio of the elongation and rotation components of the flow. We establish the ``phase diagram'' of the system on the $S-Λ$ plane: we find curves corresponding to the tank-treading to tumbling transition (described by the sadd…
Translocation of a polymer out of curved surface or membrane is studied via mean first passage time approach. Membrane curvature gives rise to a constraint on polymer conformation, which effectively drives the polymer to the outside of membrane where the available volume of polymer conformational fluctuation is larger. Considering a polymer release out of spherical vesicle, polymer translocation time $τ$ is changed to the scaling behavior $τ\sim L^2$ for $R<R_G$, from $τ\sim L^3$ for $R\gg R_G$, where $L$ is the polymer contour length and $R$, $R_G$ are vesicle radius and polymer radius of gyr…
In this paper, the dynamics of spontaneous shape fluctuations of a single, giant quasi-spherical vesicle formed of a single lipid species is revisited theoretically. A coherent physical theory for the dynamics is developed based on a number of fundamental principles and considerations and a systematic formulation of the theory is also established. From the systematic theoretical formulation, an analytical description of the dynamics of shape fluctuations of quasi-spherical vesicles is derived. In particular, in developing the theory we have made a new interpretation of some of the phenomenolog…
We analyze the free energy for translocation of a polymer from the outside of a spherical vesicle to the inside. The process is assumed to be driven by the adsorption of the polymer on the inner surface of the vesicle. We argue that in the case where the polymer is adsorbed on the outer surface too, the entropic barrier for translocation is absent. We analyze the adsorption energy and find the free energy profile for the process. We argue that the motion corresponds to a polymer crossing a region with a change in free energy per segment. Based upon our earlier analsis of the behaviour of kinks…
We investigate the morphology of a toroidal fluid membrane vesicle confined inside a spherical container. The equilibrium shapes are assembled in a geometrical phase diagram as a function of scaled area and reduced volume of the membrane. For small area the vesicle can adopt its free form. When increasing the area, the membrane cannot avoid contact and touches the confining sphere along a circular contact line, which extends to a zone of contact for higher area. The elastic energies of the equilibrium shapes are compared to those of their confined counterparts of spherical topology to predict …
Onsager's irreversible thermodynamics is used to perform a systematic deduction of the kinetic equations governing the opening and collapse of transient pores in spherical vesicles. We show that the edge tension has to be determined from the initial stage of the pore relaxation and that in the final state the vesicle membrane is not completely relaxed, since the surface tension and the pressure difference are about $25\%$ of its initial value. We also show that the pore life-time is controlled by the solution viscosity and its opening is driven by the solution leak-out and the surface tension …
We present an exact solution to the problem of the global shape description of a spherical vesicle distorted by a grafted latex bead. This solution is derived by treating the nonlinearity in bending elasticity through the (topological) Bogomol'nyi decomposition technique and elastic compatibility. We recover the ``hat-model'' approximation in the limit of a small latex bead and find that the region antipodal to the grafted latex bead flattens. We also derive the appropriate shape equation using the variational principle and relevant constraints.
On elastic spherical membranes, there is no stress induced by the bending energy and the corresponding Laplace-Young law does not involve the elastic bending stiffness. However, when considering an axially symmetrical perturbation that pinches the sphere, it induces nontrivial stresses on the entire membrane. In this paper we introduce a theoretical framework to examine the stress induced by perturbations of geometry around the sphere. We find the local balance force equations along the normal direction to the vesicle, and along the unit binormal, tangent to the membrane; likewise, the global …
The mechanical properties of biological membranes play an important role in the structure and the functioning of living organisms. One of the most widely used methods for determination of the bending elasticity modulus of the model lipid membranes (simplified models of the biomembranes with similar mechanical properties) is analysis of the shape fluctuations of the nearly spherical lipid vesicles. A theoretical basis of such an analysis is developed by Milner and Safran. In the present studies we analyze their results using an approach based on the Bogoljubov inequalities and the approximating…
The dynamics of a single fluid bilayer membrane in an external hydrodynamic flow field is considered. The deterministic equation of motion for the configuration is derived taking into account both viscous dissipation in the surrounding liquid and local incompressibility of the membrane. For quasi-spherical vesicles in shear flow, thermal fluctuations can be incorporated in a Langevin-type equation of motion for the deformation amplitudes. The solution to this equation shows an overdamped oscillatory approach to a stationary tanktreading shape. Inclination angle and ellipiticity of the contour …
The dynamics of fluid vesicles is studied under flow in microchannels, in which the width varies periodically along the channel. Three types of flow instabilities of prolate vesicles are found. For small quasi-spherical vesicles -- compared to the average channel width -- perturbation theory predicts a transition from a state with orientational oscillations of a fixed prolate shape to a state with shape oscillations of symmetrical ellipsoidal or bullet-like shapes with increasing flow velocity. Experimentally, such orientational oscillations are observed during the slow migration of a vesicle …
We present a self-dual bending theory that may enable a better understanding of highly nonlinear global behavior observed in biological vesicles. Adopting this topological approach for spherical vesicles of revolution allows us to describe them as frustrated sine-Gordon kinks. Finally, to illustrate an application of our results, we consider a spherical vesicle globally distorted by two polar latex beads.
The morphology of spherically confined flexoelectric fluid membrane vesicles in an external uniform electric field is studied numerically. Due to the deformations induced by the confinement, the membrane becomes polarized resulting in an interaction with the external field. The equilibrium shapes of the vesicle without electric field can be classified in a geometrical phase diagram as a function of scaled area and reduced volume [1,2]. When the area of the membrane is only slightly larger than the area of the confining sphere, a single axisymmetric invagination appears. A non-vanishing electri…
We investigate the electrostatics of a partially formed, charged spherical shell in a salt solution. We solve the problem numerically at the Poisson-Boltzmann level and analytically in the Debye-Huckel regime. From the results on energetics of partially formed shells we examine the stability of tethered (crystalline) and fluid shells towards rupture. We clearly delineate different regimes of stability towards rupture, where, for fluid shells, we also include the effects of bending elasticity of the shells. Our analysis shows how charging of the shell induces its instability towards rupture but…
The interplay between geometry, topology and order can lead to geometric frustration that profoundly affects the shape and structure of a curved surface. In this commentary we show how frustration in this context can result in the faceting of elastic vesicles. We show that, under the right conditions, an assortment of regular and irregular polyhedral structures may be the low energy states of elastic membranes with spherical topology. In particular, we show how topological defects, necessarily present in any crystalline lattice confined to spherical topology, naturally lead to the formation of…
Morphologies of a vesicle confined in a spherical vesicle were explored experimentally by fast confocal laser microscopy and numerically by a dynamically-triangulated membrane model with area-difference elasticity. The confinement was found to induce several novel shapes of the inner vesicles, that had been never observed in unilamellar vesicles: double and quadruple stomatocytes, slit vesicle, and vesicles of two or three compartments with various shapes. The simulations reproduced the experimental results very well and some of the shape transitions can be understood by a simple theoretical m…
We apply the Bogomol'nyi technique, which is usually invoked in the study of solitons or models with topological invariants, to the case of elastic energy of vesicles. We show that spontaneous bending contribution caused by any deformation from metastable bending shapes falls in two distinct topological sets: shapes of spherical topology and shapes of non-spherical topology experience respectively a deviatoric bending contribution a la Fischer and a mean curvature bending contribution a la Helfrich. In other words, topology may be considered to describe bending phenomena. Besides, we calculate…
The hydrodynamic interaction of two deformable vesicles in shear flow induces a net displacement, in most cases an increase of their distance in the transverse direction. The statistical average of these interactions leads to shear-induced diffusion in the suspension, both at the level of individual particles which experience a random walk made of successive interactions, and at the level of suspension where a non-linear down-gradient diffusion takes place, an important ingredient in the structuring of suspension flows. We make an experimental and computational study of the interaction of a pa…
Nuclear pores have an approximately uniform distribution in the nuclear envelope of most living cells. Hence, the morphology of the nuclear envelope is a spherical stomatocyte with a high genus. We have investigated the morphology of high-genus vesicles under pore-size constraint using dynamically triangulated membrane simulations. Bending-energy minimization without volume or other constraints produces a circular-cage stomatocyte, where the pores are aligned in a circular line on an oblate bud. As the pore radius is reduced, the circular-pore alignment is more stabilized than a random pore di…
Recent experiments by Kantsler et. al. (2007) have shown that the relaxational dynamics of a vesicle in external elongation flow is accompanied by the formation of wrinkles on a membrane. Motivated by these experiments we present a theory describing the dynamics of a wrinkled membrane. Formation of wrinkles is related to the dynamical instability induced by negative surface tension of the membrane. For quasi-spherical vesicles we perform analytical study of the wrinkle structure dynamics. We derive the expression for the instability threshold and identify three stages of the dynamics. The scal…
Lipid vesicles play a key role in fundamental biological processes. Despite recent progress, we lack a complete understanding of the non-equilibrium dynamics of vesicles due to challenges associated with long-time observation of shape fluctuations in strong flows. In this work, we present a flow-phase diagram for vesicle shape and conformational transitions in planar extensional flow using a Stokes trap, which enables control over the center-of-mass position of single or multiple vesicles in precisely defined flows [Shenoy, Rao, Schroeder, \textit{PNAS}, 113(15):3976-3981, 2016]. In this way, …
The use of tank-treading as a means of propulsion for microswimmers in viscous shear flows is taken into exam. We discuss the possibility that a vesicle be able to control the drift in an external shear flow, by varying locally the bending rigidity of its own membrane. By analytical calculation in the quasi-spherical limit, the stationary shape and the orientation of the tank-treading vesicle in the external flow, are determined, working to lowest order in the membrane inhomogeneity. The membrane inhomogeneity acts in the shape evolution equation as an additional force term, that can be used t…
A coarse-grained model developed by Marrink et al. [J. Phys. Chem. B 111, 7812 (2007)] is applied to investigate vesiculation of lipid [dipalmitoylphosphatidylcholine (DPPC)] droplets in water. Three kinds of morphologies of micelles are found with increasing lipid droplet size. When the initial lipid droplet is smaller, the equilibrium structure of the droplet is a spherical micelle. When the initial lipid droplet is larger, the lipid ball starts to transform into a disk micelle or vesicle. The mechanism of vesicle formation from a lipid ball is analyzed from the self-assembly of DPPC on the …
The dynamics of a nucleate cell in shear flow is of great relevance in cancer cells and circulatory tumor cells where they dominate the dynamics of blood. Buoyed by the success of Giant Unilamellar vesicles in explaining the dynamics of anucleate cells such as Red Blood cells, compound vesicles have been suggested as a simple model for nucleate cells. In this work, a theoretical model is presented to study the deformation and dynamics of a compound vesicle in linear shear flow using small deformation theory and spherical harmonics with higher order approximation to the membrane forces. The res…
We study the relaxation dynamics of a compressible bilayer vesicle with an asymmetry in the viscosity of the inner and outer fluid medium. First we explore the stability of the vesicle free energy which includes a coupling between the membrane curvature and the local density difference between the two monolayers. Two types of instabilities are identified: a small wavelength instability and a larger wavelength instability. Considering the bulk fluid viscosity and the inter-monolayer friction as the dissipation sources, we next employ Onsager's variational principle to derive the coupled equatio…
Acetaminophen (APAP) or Paracetamol, despite its wide and common use for pain and fever symptoms, shows a variety of side effects, toxic effects, and overdose effects. The most common form of toxic effects of APAP is in the liver where phosphatidylcholine is the major component of the cell membrane with additional associated functionalities. Although this is the case, the effects of APAP on pure phospholipid membranes have been largely ignored. Here, we used DOPC, a commonly found phospholipid in mammalian cell membranes to synthesize large unilamellar vesicles to investigate how the incorpora…
The fluctuation-induced interaction between two rod-like, rigid inclusions in a fluid vesicle is studied by means of canonical ensemble Monte Carlo simulations. The vesicle membrane is represented by a triangulated network of hard spheres. Five rigidly connected hard spheres form rod-like inclusions that can leap between sites of the triangular network. Their effective interaction potential is computed as a function of mutual distance and angle of the inclusions. On account of the hard-core potential among these, the nature of the potential is purely entropic. Special precaution is taken to re…
The microscopic dynamics of objects suspended in a fluid determines the macroscopic rheology of a suspension. For example, as shown by Danker and Misbah [Phys. Rev. Lett. {\bf 98}, 088104 (2007)], the viscosity of a dilute suspension of fluid-filled vesicles is a non-monotonic function of the viscosity contrast (the ratio between the viscosities of the internal encapsulated and the external suspending fluids) and exhibits a minimum at the critical point of the tank-treading-to-tumbling transition. By performing numerical simulations, we recover this effect and demonstrate that it persists for …
We present a hybrid numerical method to introduce hydrodynamics in dynamic self-consistent field (SCF) studies of inhomogeneous polymer systems. It solves a set of coupled dynamical equations: The Navier-Stokes equations for the fluid flow, and SCF-based convection-diffusion equations for the evolution of the local monomer compositions. The Navier-Stokes equaitons are simulated by the lattice Boltzmann method and the dynamic self-consistent equations are solved by a finite difference scheme. Two applications are presented: First, we study microphase separation in symmetric and asymmetric block…
The entropy of a polymer confined in a curved surface and the elastic free energy of a membrane consisting of polymers are obtained by scaling analysis. It is found that the elastic free energy of the membrane has the form of the in-plane strain energy plus Helfrich's curvature energy [Z. Naturforsch. C \textbf{28}, 693 (1973)]. The elastic constants in the free energy are obtained by discussing two simplified models: one is the polymer membrane without in-plane strains and asymmetry between its two sides, which is the counterpart of quantum mechanics in curved surface [Jensen and Koppe, Ann. …
Membrane budding has been extensively studied as an equilibrium process attributed to the formation of coexisting domains or changes in the vesicle area to volume ratio (reduced volume). In contrast, non-equilibrium budding remains experimentally widely unexplored especially when time scales fall well below the characteristic diffusion time of lipidsτ . We show that localized mechanical perturbations, initiated by driving giant unilamellar vesicles (GUVs) through their lipid phase transition, leads to the immediate formation of rapidly growing, multiply localized, non-equilibrium buds, when th…
Determining the equilibrium configuration and shape of curved two-dimensional films with (generalized) liquid crystalline (LC) order is a difficult infinite dimensional problem of direct relevance to the study of generalized polymersomes, soft matter and the fascinating problem of understanding the origin and formation of shape (morphogenesis). The symmetry of the free energy of the LC film being considered and the topology of the surface to be determined often requires that the equilibrium configuration possesses singular structures in the form of topological defects such as disclinations for…
We investigated the effect of charge on the membrane morphology of giant unilamellar vesicles (GUVs) composed of various mixtures containing charged lipids. We observed the membrane morphologies by fluorescent and confocal laser microscopy in lipid mixtures consisting of a neutral unsaturated lipid [dioleoylphosphatidylcholine (DOPC)], a neutral saturated lipid [dipalmitoylphosphatidylcholine (DPPC)], a charged unsaturated lipid [dioleoylphosphatidylglycerol (DOPG$^{\scriptsize{(-)}}$)], a charged saturated lipid [dipalmitoylphosphatidylglycerol (DPPG$^{\scriptsize{(-)}}$)], and cholesterol (C…
Vesicles are becoming a quite popular model for the study of red blood cells (RBCs). This is a free boundary problem which is rather difficult to handle theoretically. Quantitative computational approaches constitute also a challenge. In addition, with numerical studies, it is not easy to scan within a reasonable time the whole parameter space. Therefore, having quantitative analytical results is an essential advance that provides deeper understanding of observed features and can be used to accompany and possibly guide further numerical development. In this paper shape evolution equations for …
Phagocytosis is the process of engulfment and internalization of comparatively large particles by the cell, that plays a central role in the functioning of our immune system. We study the process of phagocytosis by considering a simplified coarse grained model of a three-dimensional vesicle, having uniform adhesion interaction with a rigid particle, in the presence of curved membrane proteins and active cytoskeletal forces. Complete engulfment is achieved when the bending energy cost of the vesicle is balanced by the gain in the adhesion energy. The presence of curved (convex) proteins reduces…
Whilst many vertebrates appear externally left-right symmetric, the arrangement of internal organs is asymmetric. In zebrafish, the breaking of left-right symmetry is organised by Kupffer's Vesicle (KV): an approximately spherical, fluid-filled structure that begins to form in the embryo 10 hours post fertilisation. A crucial component of zebrafish symmetry breaking is the establishment of a cilia-driven fluid flow within KV. However, it is still unclear (a) how dorsal, ventral and equatorial cilia contribute to the global vortical flow, and (b) if this flow breaks left-right symmetry through …
Theoretical studies of nearly spherical vesicles and microemulsion droplets, that present typical examples for thermally-excited systems that are subject to constraints, are reviewed. We consider the shape fluctuations of such systems constrained by fixed area $A$ and fixed volume $V$, whose geometry is presented in terms of scalar spherical harmonics. These constraints can be incorporated in the theory in different ways. After an introductory review of the two approaches: with an exactly fixed by delta-function membrane area $A$ [Seifert, Z. Phys. B, 97, 299, (1995)] or approximatively by mea…
An exact description is provided of an almost spherical fluid vesicle with a fixed area and a fixed enclosed volume locally deformed by external normal forces bringing two nearby points on the surface together symmetrically. The conformal invariance of the two-dimensional bending energy is used to identify the distribution of energy as well as the stress established in the vesicle. While these states are local minima of the energy, this energy is degenerate; there is a zero mode in the energy fluctuation spectrum, associated with area and volume preserving conformal transformations, which brea…
We examine the ejection of an initially strongly confined flexible polymer from a spherical capsid through a nanoscale pore. We use molecular dynamics for unprecedentedly high initial monomer densities. We show that the time for an individual monomer to eject grows exponentially with the number of ejected monomers. By measurements of the force at the pore we show this dependence to be a consequence of the excess free energy of the polymer due to confinement growing exponentially with the number of monomers initially inside the capsid. This growth relates closely to the divergence of mixing ene…
Multiparticle collision dynamics is a modern coarse-grained simulation technique to treat the hydrodynamics of Newtonian fluids by solving the Navier-Stokes equations. Naturally, it also includes thermal noise. Initially it has been applied extensively to spherical colloids or bead-spring polymers immersed in a fluid. Here, we review and discuss the use of multiparticle collision dynamics for studying the motion of spherical model microswimmers called squirmers moving in viscous fluids.
We study elasticity-driven morphological transitions of soft spherical core shell structures in which the core can be treated as an isotropic elastic continuum and the surface or shell as a tensionless liquid layer, whose elastic response is dominated by bending. To generate the transitions, we consider the case where the surface area of the liquid layer is increased for a fixed amount of interior elastic material. We find that generically there is a critical excess surface area at which the isotropic sphere becomes unstable to buckling. At this point it adopts a lower symmetry wrinkled struct…
Under special conditions bacteria excrete an attractant and aggregate. The high density regions initially collapse into cylindrical structures, which subsequently destabilize and break up into spherical aggregates. This paper presents a theoretical description of the process, from the structure of the collapsing cylinder to the spacing of the final aggregates. We show that cylindrical collapse involves a delicate balance in which bacterial attraction and diffusion nearly cancel, leading to corrections to the collapse laws expected from dimensional analysis. The instability of a collapsing cyli…
