On the bending algorithms for soft objects in flows

International audienceOne of the most challenging aspects in the accurate simulation of three-dimensional soft objects such as vesicles or biological cells is the computation of membrane bending forces. The origin of this difficulty stems from the need to numerically evaluate a fourth order derivative on the discretized surface geometry. Here we investigate six different algorithms to compute membrane bending forces, including regularly used methods as well as novel ones. All are based on the same physical model (due to Canham and Helfrich) and start from a surface discretization with flat triangles. At the same time, they differ substantially in their numerical approach. We start by comparing the numerically obtained mean curvature, the Laplace-Beltrami operator of the mean curvature and finally the surface force density to analytical results for the discocyte resting shape of a red blood cell. We find that none of the considered algorithms converges to zero error at all nodes and that for some algorithms the error even diverges. There is furthermore a pronounced influence of the mesh structure: Discretizations with more irregular triangles and node connectivity present serious difficulties for most investigated methods. To assess the behavior of the algorithms in a realistic physical application, we investigate the deformation of an initially spherical capsule in a linear shear flow at small Reynolds numbers. To exclude any influence of the flow solver, two conceptually very different solvers are employed: the Lattice-Boltzmann and the Boundary Integral Method. Despite the largely different quality of the bending algorithms when applied to the static red blood cell, we find that in the actual flow situation most algorithms give consistent results for both hydrodynamic solvers. Even so, a short review of earlier works reveals a wide scattering of reported results for, e.g., the Taylor deformation parameter. Besides the presented application to biofluidic systems, the investigated algorithms are also of high relevance to the computer graphics and numerical mathematics communities

Creeping motion of a solid particle inside a spherical elastic cavity

On the basis of the linear hydrodynamic equations, we present an analytical theory for the low-Reynolds-number motion of a solid particle moving inside a larger spherical elastic cavity which can be seen as a model system for a fluid vesicle. In the particular situation where the particle is concentric with the cavity, we use the stream function technique to find exact analytical solutions of the fluid motion equations on both sides of the elastic cavity. In this particular situation, we find that the solution of the hydrodynamic equations is solely determined by membrane shear properties and that bending does not play a role. For an arbitrary position of the solid particle within the spherical cavity, we employ the image solution technique to compute the axisymmetric flow field induced by a point force (Stokeslet). We then obtain analytical expressions of the leading order mobility function describing the fluid-mediated hydrodynamic interactions between the particle and confining elastic cavity. In the quasi-steady limit of vanishing frequency, we find that the particle self-mobility function is higher than that predicted inside a rigid no-slip cavity. Considering the cavity motion, we find that the pair-mobility function is determined only by membrane shear properties. Our analytical predictions are supplemented and validated by fully-resolved boundary integral simulations where a very good agreement is obtained over the whole range of applied forcing frequencies.Comment: 15 pages, 5 figures, 90 references. To appear in Eur. Phys. J.

Particle mobility between two planar elastic membranes: Brownian motion and membrane deformation

We study the motion of a solid particle immersed in a Newtonian fluid and confined between two parallel elastic membranes possessing shear and bending rigidity. The hydrodynamic mobility depends on the frequency of the particle motion due to the elastic energy stored in the membrane. Unlike the single-membrane case, a coupling between shearing and bending exists. The commonly used approximation of superposing two single-membrane contributions is found to give reasonable results only for motions in the parallel, but not in the perpendicular direction. We also compute analytically the membrane deformation resulting from the motion of the particle, showing that the presence of the second membrane reduces deformation. Using the fluctuation-dissipation theorem we compute the Brownian motion of the particle, finding a long-lasting subdiffusive regime at intermediate time scales. We finally assess the accuracy of the employed point-particle approximation via boundary-integral simulations for a truly extended particle. They are found to be in excellent agreement with the analytical predictions.Comment: 14 pages, 8 figures and 96 references. Revised version resubmitted to Phys. Fluid

Slow rotation of a spherical particle inside an elastic tube

In this paper, we present an analytical calculation of the rotational mobility functions of a particle rotating on the centerline of an elastic cylindrical tube whose membrane exhibits resistance towards shearing and bending. We find that the correction to the particle rotational mobility about the cylinder axis depends solely on membrane shearing properties while both shearing and bending manifest themselves for the rotational mobility about an axis perpendicular to the cylinder axis. In the quasi-steady limit of vanishing frequency, the particle rotational mobility nearby a no-slip rigid cylinder is recovered only if the membrane possesses a non-vanishing resistance towards shearing. We further show that for the asymmetric rotation along the cylinder radial axis, a coupling between shearing and bending exists. Our analytical predictions are compared and validated with corresponding boundary integral simulations where a very good agreement is obtained.Comment: 23 pages, 7 figures and 107 references. Revised manuscript resubmitted to Acta Mec

Brownian motion near an elastic cell membrane: A theoretical study

Elastic confinements are an important component of many biological systems and dictate the transport properties of suspended particles under flow. In this chapter, we review the Brownian motion of a particle moving in the vicinity of a living cell whose membrane is endowed with a resistance towards shear and bending. The analytical calculations proceed through the computation of the frequency-dependent mobility functions and the application of the fluctuation-dissipation theorem. Elastic interfaces endow the system with memory effects that lead to a long-lived anomalous subdiffusive regime of nearby particles. In the steady limit, the diffusional behavior approaches that near a no-slip hard wall. The analytical predictions are validated and supplemented with boundary-integral simulations.Comment: 16 pages, 7 figures and 161 references. Contributed chapter to the flowing matter boo

Hydrodynamic interaction between particles near elastic interfaces

We present an analytical calculation of the hydrodynamic interaction between two spherical particles near an elastic interface such as a cell membrane. The theory predicts the frequency dependent self- and pair-mobilities accounting for the finite particle size up to the 5th order in the ratio between particle diameter and wall distance as well as between diameter and interparticle distance. We find that particle motion towards a membrane with pure bending resistance always leads to mutual repulsion similar as in the well-known case of a hard-wall. In the vicinity of a membrane with shearing resistance, however, we observe an attractive interaction in a certain parameter range which is in contrast to the behavior near a hard wall. This attraction might facilitate surface chemical reactions. Furthermore, we show that there exists a frequency range in which the pair-mobility for perpendicular motion exceeds its bulk value, leading to short-lived superdiffusive behavior. Using the analytical particle mobilities we compute collective and relative diffusion coefficients. The appropriateness of the approximations in our analytical results is demonstrated by corresponding boundary integral simulations which are in excellent agreement with the theoretical predictions.Comment: 16 pages, 7 figures and 109 references. Manuscript accepted for publication in J. Chem. Phy

Hydrodynamic mobility of a solid particle nearby a spherical elastic membrane. II. Asymmetric motion

In this paper, we derive analytical expressions for the leading-order hydrodynamic mobility of a small solid particle undergoing motion tangential to a nearby large spherical capsule whose membrane possesses resistance towards shearing and bending. Together with the results obtained in the first part (Daddi-Moussa-Ider and Gekle, Phys. Rev. E {\bfseries 95}, 013108 (2017)) where the axisymmetric motion perpendicular to the capsule membrane is considered, the solution of the general mobility problem is thus determined. We find that shearing resistance induces a low-frequency peak in the particle self-mobility, resulting from the membrane normal displacement in the same way, although less pronounced, to what has been observed for the axisymmetric motion. In the zero frequency limit, the self-mobility correction near a hard sphere is recovered only if the membrane has a non-vanishing resistance towards shearing. We further compute the particle in-plane mean-square displacement of a nearby diffusing particle, finding that the membrane induces a long-lasting subdiffusive regime. Considering capsule motion, we find that the correction to the pair-mobility function is solely determined by membrane shearing properties. Our analytical calculations are compared and validated with fully resolved boundary integral simulations where a very good agreement is obtained.Comment: 17 pages, 9 figures and 64 references. Manuscript accepted for publication in Phys. Rev.

Hydrodynamic coupling and rotational mobilities near planar elastic membranes

We study theoretically and numerically the coupling and rotational hydrodynamic interactions between spherical particles near a planar elastic membrane that exhibits resistance towards shear and bending. Using a combination of the multipole expansion and Faxen's theorems, we express the frequency-dependent hydrodynamic mobility functions as a power series of the ratio of the particle radius to the distance from the membrane for the self mobilities, and as a power series of the ratio of the radius to the interparticle distance for the pair mobilities. In the quasi-steady limit of zero frequency, we find that the shear- and bending-related contributions to the particle mobilities may have additive or suppressive effects depending on the membrane properties in addition to the geometric configuration of the interacting particles relative to the confining membrane. To elucidate the effect and role of the change of sign observed in the particle self and pair mobilities, we consider an example involving a torque-free doublet of counterrotating particles near an elastic membrane. We find that the induced rotation rate of the doublet around its center of mass may differ in magnitude and direction depending on the membrane shear and bending properties. Near a membrane of only energetic resistance toward shear deformation, such as that of a certain type of elastic capsules, the doublet undergoes rotation of the same sense as observed near a no-slip wall. Near a membrane of only energetic resistance toward bending, such as that of a fluid vesicle, we find a reversed sense of rotation. Our analytical predictions are supplemented and compared with fully resolved boundary integral simulations where a very good agreement is obtained over the whole range of applied frequencies.Comment: 14 pages, 7 figures. Revised manuscript resubmitted to J. Chem. Phy

Numerical-experimental observation of shape bistability of red blood cells flowing in a microchannel

Red blood cells flowing through capillaries assume a wide variety of different shapes owing to their high deformability. Predicting the realized shapes is a complex field as they are determined by the intricate interplay between the flow conditions and the membrane mechanics. In this work we construct the shape phase diagram of a single red blood cell with a physiological viscosity ratio flowing in a microchannel. We use both experimental in-vitro measurements as well as 3D numerical simulations to complement the respective other one. Numerically, we have easy control over the initial starting configuration and natural access to the full 3D shape. With this information we obtain the phase diagram as a function of initial position, starting shape and cell velocity. Experimentally, we measure the occurrence frequency of the different shapes as a function of the cell velocity to construct the experimental diagram which is in good agreement with the numerical observations. Two different major shapes are found, namely croissants and slippers. Notably, both shapes show coexistence at low (<1 mm/s) and high velocities (>3 mm/s) while in-between only croissants are stable. This pronounced bistability indicates that RBC shapes are not only determined by system parameters such as flow velocity or channel size, but also strongly depend on the initial conditions.Comment: 13 pages, 9 figures (main text). 13 pages, 31 figures (SI

Bending models of lipid bilayer membranes: spontaneous curvature and area-difference elasticity

We preset a computational study of bending models for the curvature elasticity of lipid bilayer membranes that are relevant for simulations of vesicles and red blood cells. We compute bending energy and forces on triangulated meshes and evaluate and extend four well established schemes for their approximation: Kantor and Nelson 1987, Phys. Rev. A 36, 4020, J\"ulicher 1996, J. Phys. II France 6, 1797, Gompper and Kroll 1996, J. Phys. I France 6, 1305, and Meyer et. al. 2003 in Visualization and Mathematics III, Springer, p35, termed A, B, C, D. We present a comparative study of these four schemes on the minimal bending model and propose extensions for schemes B, C and D. These extensions incorporate the reference state and non-local energy to account for the spontaneous curvature, bilayer coupling, and area-difference elasticity models. Our results indicate that the proposed extensions enhance the models to account for shape transformation including budding/vesiculation as well as for non-axisymmetric shapes. We find that the extended scheme B is superior to the rest in terms of accuracy, and robustness as well as simplicity of implementation. We demonstrate the capabilities of this scheme on several benchmark problems including the budding-vesiculating process and the reproduction of the phase diagram of vesicles