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Topological constraints can affect both equilibrium and dynamic properties of polymer systems, and can play a role in the organization of chromosomes. Despite many theoretical studies, the effects of topological constraints on the…
We review recent simulation studies of interfaces between immiscible homopolymer phases. Special emphasis is given to the presentation of efficient simulation techniques and powerful methods of data analysis, such as the analysis of…
Morphological instabilities of growing tissues that impinge on passive materials are typical of invasive cancers. To explain these instabilities in experiments on breast epithelial spheroids in an extracellular matrix, we develop a…
We investigate the internal structure of a polymer during collapse from an expanded coil to a compact globule. Collapse is more probable in local regions of high curvature, so a smoothing of the fractal polymer structure occurs that…
The non-equilibrium structural and dynamical properties of a semiflexible polymer confined in a cylindrical microchannel and exposed to a Poiseuille flow is studied by mesoscale hydrodynamic simulations. For a polymer with a length half of…
We present a model for pore stabilization in membranes without surface tension. Whereas an isolated pore is always unstable (since it either shrinks tending to re-seal or grows without bound til to membrane disintegration), it is shown that…
We systematically explore the self-assembly of semi-flexible polymers in deformable spherical confinement across a wide regime of chain stiffness, contour lengths and packing fractions by means of coarse-grained molecular dynamics…
The interplay of topological constraints and Coulomb interactions in static and dynamic properties of charged polymers is investigated by numerical simulations and scaling arguments. In the absence of screening, the long-range interaction…
In this article we study synchronization of systems of homogeneous phase-coupled oscillators with plastic coupling strengths and arbitrary underlying topology. The dynamics of the coupling strength between two oscillators is governed by the…
Through modelling and simulations we show that material instabilities play a dominant role in the mechanical behavior of the fibrous collagen Extracellular Matrix (ECM), as observed when the ECM is deformed by contractile biological cells.…
A popular concept which describes the structure of polymer interfaces by ``intrinsic profiles'' centered around a two dimensional surface, the ``local interface position'', is tested by extensive Monte Carlo simulations of interfaces…
We elucidate the mechanism for instability of topological Thouless pumping in strongly interacting systems from a viewpoint of symmetry-protected topological phases. If the protecting symmetries of the underlying topological phases change…
Understanding the complex self-assembly of biomacromolecules is a major outstanding question. Microtubules are one example of a biopolymer that possesses characteristics quite distinct from standard synthetic polymers that are derived from…
Monte Carlo computer simulations are used to study the segregation behaviour of two polymers under cylindrical confinement. Using a multiple-histogram method, the conformational free energy, F, of the polymers was measured as a function of…
We investigate the properties of membranes under tension by Monte-Carlo simulations of a generic coarse-grained model for lipid bilayers. We give a comprising overview of the behavior of several membrane characteristics, such as the area…
We study the dynamics and patterning of polar contractile filaments on the surface of a cylindrical cell using active hydrodynamic equations that incorporate couplings between curvature and filament orientation. Cables and rings…
When a flexible filament is confined to a fluid interface, the balance between capillary attraction, bending resistance, and tension from an external source can lead to a self-buckling instability. We perform an analysis of this instability…
A mesoscopic model of a diblock copolymer is used to study the stability of a lamellar structure under a uniform shear flow. We first obtain the nonlinear lamellar solutions under both steady and oscillatory shear flows. Regions of…
The dynamics of a membrane coupled to an active fluid on top of a substrate is considered theoretically. It is assumed that the director field of the active fluid has rotational symmetry in the membrane plane. This situation is likely to be…
Polyhedral vesicles with a large bending modulus of the membrane such as the gel phase lipid membrane were studied using a Brownian dynamics simulation. The vesicles exhibit various polyhedral morphologies such as tetrahedron and cube…