Related papers: Conformational Collapse of Surface-Bound Helical F…
In the context of elasticity theory, rigidity theorems allow to derive global properties of a deformation from local ones. This paper presents a new asymptotic version of rigidity, applicable to elastic bodies with sufficiently stiff…
The conformation of a long linear polymer dissolved in fluid and exposed to an extensional flow is well-known to exhibit a "coil-stretch" transition, which for sufficiently long chains can lead to bistability. The present work reports…
In the hexagonal columnar phase of chiral polymers a bias towards cholesteric twist competes with braiding along an average direction. When the chirality is strong, topological defects proliferate, leading to either a tilt grain boundary…
We have generalized the Edwards' method of collective description of dense polymer systems in terms of effective potentials to polymer blends in the presence of a surface. With this method we have studied conformationally asymmetric…
The nonequilibrium structural and dynamical properties of semiflexible active polar polymers subject to linear flow are studied by numerical simulations. Filaments are confined in two dimensions and immersed in a fluid described by the…
We employ molecular dynamics simulations to explore how internal flexibility affects phase transitions in soft-matter systems composed of dimers interacting via a core-softened potential with two characteristic length scales. Monomers are…
Chain molecules play important roles in industry and in living cells. Our focus here is on distinct ways of modeling the stiffness inherent in a chain molecule. We consider three types of stiffnesses -- one yielding an energy penalty for…
Chirality frustrates and shapes the assembly of flexible filaments in rope-like, twisted bundles and fibers by introducing gradients of both filament shape (i.e. curvature) and packing throughout the structure. Previous models of chiral…
Boundary effects in liquid-crystalline phases can be large due to long-ranged orientational correlations. We show that the chiral hexatic phase can be locked into an apparent three-dimensional N+6 phase via such effects. Simple numerical…
Robust boundary states have been the focus of much recent research, both as topologically protected states and as non-Hermitian skin states. In this work, we show that many-body effects can also induce analogs of these robust states in…
We show that non-entangled polymers display an elastic-like behaviour at a macroscopic scale (probed at some 0.100 mm thickness) up to at least hundred degrees above the glass transition temperature. This observation, found under…
Helically close-packed states of filaments are common in natural and engineered material systems, ranging from nanoscopic biomolecules to macroscopic structural components. While the simplest models of helical close-packing, described by…
We investigate the kinetics of a polymer collapse due to the formation of irreversible crosslinks between its monomers. Using the contact probability $P(s)$ as a scale-dependent order parameter depending on the chemical distance $s$, our…
Predicting the large-amplitude deformations of thin elastic sheets is difficult due to the complications of self-contact, geometric nonlinearities, and a multitude of low-lying energy states. We study a simple two-dimensional setting where…
We study the phase behavior of a symmetric binary polymer blend which is confined into a thin film. The film surfaces interact with the monomers via short range potentials. We calculate the phase behavior within the self-consistent field…
We propose a nonlinear extension of the standard tube model for semidilute solutions of freely-sliding semiflexible polymers. Non-affine filament deformations at the entanglement scale, the renormalisation of direct interactions by thermal…
Entangled states are ubiquitous amongst fibrous materials, whether naturally occurring (keratin, collagen, DNA) or synthetic (nanotube assemblies, elastane). A key mechanical characteristic of these systems is their ability to reorganise in…
Synthetic copolymers and biopolymers, such as polypeptides and double-stranded DNA, often exhibit strong variations in bending stiffness along their contour, which can significantly impact conformational behavior at larger scales. To…
The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with…
We present results from molecular dynamics simulations of a spherically confined neutral polymer in the presence of crowding agents, studying polymer shapes and conformations as a function of the confining potential, solvent quality and the…