This paper is concerned with minimization of a fourth-order linearized Canham-Helfrich energy subject to Dirichlet boundary conditions on curves inside the domain. Such problems arise in the modeling of the mechanical interaction of biomembranes with embedded particles. There, the curve conditions result from the imposed particle-membrane coupling. We prove almost-H 5 2 regularity of the solution and then consider two possible penalty formulations. For the combination of these penalty formulations with a Bogner-Fox-Schmit finite element discretization we prove discretization error estimates which are optimal in view of the solution's reduced regularity. The error estimates are based on a general estimate for linear penalty problems in Hilbert spaces. Finally, we illustrate the theoretical results by numerical computations. An important feature of the presented discretization is that it does not require to resolve the particle boundary. This is crucial in order to avoid re-meshing if the presented problem arises as subproblem in a model where particles are allowed to move or rotate.

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We apply well-established concepts of Langevin sampling to derive a new class of algorithms for the efficient computation of free energy differences of fluctuating particles embedded in a 'fast' membrane, i.e., a membrane that instantaneously adapts to varying particle positions. A geometric potential accounting for membrane-mediated particle interaction is derived in the framework of variational hybrid models for particles in membranes. Recent explicit representations of the gradient of the geometric interaction potential allows to apply well-known gradient based Markov Chain Monte-Carlo (MCDC) methods such as Langevin-based sampling.

We consider a discrete–continuum model of a biomembrane with embedded particles. While the membrane is represented by a continuous surface, embedded particles are described by rigid discrete objects which are free to move and rotate in lateral direction. For the membrane we consider a linearized Canham–Helfrich energy functional and height and slope boundary conditions imposed on the particle boundaries resulting in a coupled minimization problem for the membrane shape and particle positions. When considering the energetically optimal membrane shape for each particle position we obtain a reduced energy functional that models the implicitly given interaction potential for the membrane-mediated mechanical particle–particle interactions. We show that this interaction potential is differentiable with respect to the particle positions and orientations. Furthermore, we derive a fully practical representation of the derivative only in terms of well defined derivatives of the membrane. This opens the door for the application of minimization algorithms for the computation of minimizers of the coupled system and for further investigation of the interaction potential of membrane-mediated mechanical particle–particle interaction. The results are illustrated with numerical examples comparing the explicit derivative formula with difference quotient approximations. We furthermore demonstrate the application of the derived formula to implement a gradient flow for the approximation of optimal particle configurations.