Brownian dynamics of colloidal particles on complex surfaces has found important applications in diverse physical, chemical and biological processes. However, current Brownian dynamics simulation algorithms mostly work for relatively simple surfaces that can be analytically parameterized. In this work, we develop an algorithm to enable Brownian dynamics simulation on extremely complex surfaces. We approximate complex surfaces with triangle mesh surfaces and employ a novel scheme to perform particle simulation on these triangle mesh surfaces. Our algorithm computes forces and velocities of particles in global coordinates but updates their positions in local coordinates, which benefits from the advantages of simulation schemes in both global and local coordinate alone. We benchmark the proposed algorithm with theory and then simulate Brownian dynamics of both single and multiple particles on torus and knot surfaces. The results show that our method captures well diffusion, transport, and crystallization of colloidal particles on complex surfaces with non-trivial topology. This study offers an efficient strategy for elucidating the impact of curvature, geometry, and topology on particle dynamics and microstructure formation in complex environments.
Suspensions of motile active particles with space dependent activity form characteristic polarization and density patterns. Recent single-particle studies for planar activity landscapes identified several quantities associated with emergent density-polarization patterns, including swim pressure, that are solely determined by bulk variables and thus constitute state functions. We show that for radially symmetric activity steps these variables depend on the curvature of the active-passive interface. In the specific case of total polarization and swim pressure, we generalize this result for arbit…
Unlike equilibrium systems, active matter is not governed by the conventional laws of thermodynamics. Through a series of analytic calculations and Langevin dynamics simulations, we explore how systems cross over from equilibrium to active behavior as the activity is increased. In particular, we calculate the profiles of density and orientational order near straight or circular walls, and show the characteristic width of the boundary layers. We find a simple relationship between the enhancements of density and pressure near a wall. Based on these results, we determine how the pressure depends …
We have calculated the probability distribution function G(R,L|R',0) of the end-to-end vector R-R' and the mean-square end-to-end distance (R-R')^2 of a Gaussian polymer chain embedded on a sphere S^(D-1) in D dimensions and on a cylinder, a cone and a curved torus in 3-D. We showed that: surface curvature induces a geometrical localization area; at short length the polymer is locally "flat" and (R-R')^2 = L l in all cases; at large scales, (R-R')^2 is constant for the sphere, it is linear in L for the cylinder and reaches different constant values for the torus. The cone vertex induces (funct…
Brownian motion of free particles on curved surfaces is studied by means of the Langevin equation written in Riemann normal coordinates. In the diffusive regime we find the same physical behavior as the one described by the diffusion equation on curved manifolds [J. Stat. Mech. (2010) P08006]. Therefore, we use the latter in order to analytically investigate the whole diffusive dynamics in compact geometries, namely, the circle and the sphere. Our findings are corroborated by means of Brownian dynamics computer simulations based on a heuristic adaptation of the Ermak-McCammon algorithm to the …
Based on energy conservation, we derive a critical condition theoretically for electrowettinginduced droplet detachment from a hydrophobic curved surface. Phase diagrams are constructed in terms of droplet volume, viscosity, Ohnesorge number, friction coefficient at contact line, surface curvature, surface wettability and electrowetting number. The deduced critical condition offers a general and quantitative prediction on when the detachment occurs, a criterion enabling us to gain more insights into how to accurately manipulate the electrowetting-induced detachment of an aqueous droplet on a c…
The structural properties of polymers adsorbed onto a surface have been widely investigated using self-consistent mean-field theories. Recently, analytical mean-field theories have been applied to study polymer adsorption on curved surfaces but all in the context of the ground state dominance approximation in which the polymer chain length (N) is essentially infinite. Using an expression for the free energy by Semenov, we determine leading order (in 1/N) corrections due to the finiteness of the polymer chain length on surface tension, spontaneous curvature, and rigidity constants.
Block copolymers provide a wonderful platform in studying the soft condensed matter systems. Many fascinating ordered structures have been discovered in bulk and confined systems. Among various theories, the self-consistent field theory (SCFT) has been proven to be a powerful tool for studying the equilibrium ordered structures. Many numerical methods have been developed to solve the SCFT model. However, most of these focus on the bulk systems, and little work on the confined systems, especially on general curved surfaces. In this work, we developed a linear surface finite element method, whic…
The Navier boundary condition for velocity slip on flat surfaces, when expressed in tensor form, is readily extended to surfaces of any shape. We test this assertion using molecular dynamics simulations of flow in channels with flat and curved walls and for rotating cylinders and spheres, all for a wide range of solid-liquid interaction strengths. We find that the slip length as conventionally measured at a flat wall in Couette flow is the same as that for all other cases with curved and rotating boundaries, provided the atomic interactions are the same and boundary shape is properly taken int…
We present a Surface Evolver framework for simulating single bubbles and multicellular foams trapped between curved parallel surfaces. We are able to explore a range of geometries using level set constraints to model the bounding surfaces. Unlike previous work, in which the bounding surfaces are flat (the so called Hele-Shaw geometry), we consider surfaces with non- vanishing Gaussian curvature, specifically the sphere, the torus and the Schwarz Primitive-surface. In the case of multi-cellular foams - our method is to first distribute a set of N points evenly over the surface (using an en- erg…
We derive and numerically solve a surface active nematodynamics model. We validate the numerical approach on a sphere and analyse the influence of hydrodynamics on the oscillatory motion of topological defects. For ellipsoidal surfaces the influence of geometric forces on these motion patterns is addressed by taking into account the effects of intrinsic as well as extrinsic curvature contributions. The numerical experiments demonstrate the stronger coupling with geometric properties if extrinsic curvature contributions are present and provide a possibility to tune flow and defect motion by sur…
We study static and dynamical properties that distinguish two dimensional crystals constrained to lie on a curved substrate from their flat space counterparts. A generic mechanism of dislocation unbinding in the presence of varying Gaussian curvature is presented in the context of a model surface amenable to full analytical treatment. We find that glide diffusion of isolated dislocations is suppressed by a binding potential of purely geometrical origin. Finally, the energetics and biased diffusion dynamics of point defects such as vacancies and interstitials is explained in terms of their geom…
Determining the positions of lattice defects on elastic surfaces with Gaussian curvature is a non-trivial task of mechanical energy optimization, particularly for surfaces with boundaries. We introduce a simple way to predict the onset of disclination disorder from the shape of bounded surfaces. The criterion fixes the value of a weighted integral Gaussian curvature to a universal constant and proves accurate across a great variety of shapes, even when previously suggested criteria fail. It is an easy avenue to improved understanding of the limitations to crystalline order in many materials.
We study packings of bidispersed spherical particles on a spherical surface. The presence of curvature necessitates defects even for monodispersed particles; bidispersity either leads to a more disordered packing for nearly equal radii, or a higher fill fraction when the smaller particles are accomodated in the interstices of the larger spheres. Variation in the packing fraction is explained by a percolation transition, as chains of defects or scars previously discovered in the monodispersed case grow and eventually disconnect the neighbor graph.
Colloidal and other granular media experience a transition to rigidity known as jamming if the fill fraction is increased beyond a critical value. The resulting jammed structures are locally disordered, bear applied loads inhomogenously, possess the minimal number of contacts required for stability and elastic properties that scale differently with volume fraction to crystalline media. Here the jamming transition is studied on a curved ellipsoidal surface by computer simulation, where shape evolution leads to a reduction in area, crowding the particles and preventing further evolution of the s…
The effects of Brownian motion on particle interactions with heterogeneous collectors are evaluated by adding stochastic Brownian displacements to the particle trajectories and comparing those trajectories to those where Brownian motion is not included. We define adhesion thresholds as the average patch density on the collector required to adhere colloidal particles and Péclet numbers that quantify the relative importance of colloidal, shear and Brownian effects. We show that Brownian motion has a negligible influence on particle trajectories over collectors patterned with nano-scale heterogen…
We consider an ideal gas of infinitely rigid rods near a perfectly repulsive wall, and show that the interfacial tension of a surface with rods on one side is lower when the surface bends towards the rods. Surprisingly we find that rods on both sides of surfaces also lower the energy when the surface bends. We compute the partition functions of rods confined to spherical and cylindrical open shells, and conclude that spherical shells repel rods, whereas cylindrical shells (for thickness of the shell on the order of the rod-length) attract them. The role of flexibility is investigated by consid…
Recent studies have highlighted the sensitivity of active matter to boundaries and their geometries. Here we develop a general theory for the dynamics and statistics of active particles on curved surfaces and illustrate it on two examples. We first show that active particles moving on a surface with no ability to probe its curvature only exhibit steady-state inhomogeneities in the presence of orientational order. We then consider a strongly confined 3D ideal active gas and compute its steady-state density distribution in a box of arbitrary convex shape.
Cell monolayers are a central model system to tissue biophysics. In vivo, epithelial tissues are curved on the scale of microns, and curvature's role in the onset of spontaneous tissue flows is still not well-understood. Here, we present a hydrodynamic theory for an apical-basal asymmetric active nematic gel on a curved strip. We show that surface curvature qualitatively changes monolayer motion compared to flat space: the resulting flows can be thresholdless, and the transition to motion may change from continuous to discontinuous. Surface curvature, friction and active tractions are all show…
Recent in vitro experiments with FtsZ polymers show self-organization into different dynamic patterns, including structures reminiscent of the bacterial Z-ring. We model FtsZ polymers as active particles moving along chiral, circular paths by Brownian dynamics simulations and a Boltzmann approach. Our two conceptually different methods point to a generic phase behavior. At intermediate particle densities, we find self-organization into vortex structures including closed rings. Moreover, we show that the dynamics at the onset of pattern formation is described by a generalized complex Ginzburg-L…
We study orientational order, subject to thermal fluctuations, on a fixed curved surface. We derive, in particular, the average density of zeros of Gaussian distributed vector fields on a closed Riemannian manifold. Results are compared with the density of disclination charges obtained from a Coulomb gas model. Our model describes the disordered state of two dimensional objects with orientational degrees of freedom, such as vector ordering in Langmuir monolayers and lipid bilayers above the hexatic to fluid transition.
We use Monte Carlo simulations to study the finite temperature behavior of vortices in the XY- model for tangent vector order on curved backgrounds. Contrary to naive expectations, we show that the underlying geometry does not affect the proliferation of vortices with temperature respect to what is observed on a flat surface. Long-range order in these systems is analyzed by using the classical two-point correlation functions. As expected, in the case of slightly curved substrates these correlations behave similarly to the plane. However, for high curvatures, the presence of geometry-induced un…
Motivated to understand the behavior of biological filaments interacting with membranes of various types, we study a theoretical model for the shape and thermodynamics of intrinsically-helical filaments bound to curved membranes. We show filament-surface interactions lead to a host of non-uniform shape equilibria, in which filaments progressively unwind from their native twist with increasing surface interaction and surface curvature, ultimately adopting uniform-contact curved shapes. The latter effect is due to non-linear coupling between elastic twist and bending of filaments on anisotropica…
We investigate the occurrence of topologically protected waves in classical fluids confined on curved surfaces. Using a combination of topological band theory and real space analysis, we demonstrate the existence of a system-independent mechanism behind topological protection in two-dimensional passive and active fluids. This allows us to formulate an index theorem linking the number of modes, determined by the topology of Fourier space, to the real space topology of the surface on which they are hosted. With this framework in hand, we review two examples of topological waves in two-dimensiona…
Capillary condensation, which takes place in confined geometries, is the first-order vapor-to-liquid phase transition and is explained by the Kelvin equation, but the equations applicability for arbitrarily curved surface has been long debated and is a sever problem. Recently, we have proposed generic dynamic equations for moving surfaces. Application of the equations to static shapes and modelling the pressure at the interface nearly trivially solves the generalization problem for the Kelvin equation. The equations are universally true for any surfaces: atomic, molecular, micro or macro scale…
We develop and implement a novel lattice Boltzmann scheme to study multicomponent flows on curved surfaces, coupling the continuity and Navier-Stokes equations with the Cahn-Hilliard equation to track the evolution of the binary fluid interfaces. Standard lattice Boltzmann method relies on regular Cartesian grids, which makes it generally unsuitable to study flow problems on curved surfaces. To alleviate this limitation, we use a vielbein formalism to write down the Boltzmann equation on an arbitrary geometry, and solve the evolution of the fluid distribution functions using a finite differenc…
Elucidating versatile configurations of spiral folding, and investigating the deployment performance is of relevant interest to extend the applicability of deployable membranes towards large-scale and functional configurations. In this paper we propose new schemes to package flat and curved membranes of finite thickness by using multiple spirals, whose governing equations render folding lines by juxtaposing spirals and by accommodating membrane thickness. Our experiments using a set of topologically distinct flat and curved membranes deployed by tensile forces applied in the radial and circumf…
