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Polymer entanglements lead to complicated topological constraints and interactions between neighbouring chains in a dense solution or melt. Entanglements can be treated in a mean field approach, within the famous reptation model, since they…
A microscopic model of a surface polymer network - membrane system is introduced, with contact polymer surface interactions that can be either repulsive or attractive and sliplinks of functionality four randomly distributed over the…
A coarse-grained model to describe the lateral structure of a one-component polymer brush is presented. In this model, a single polymer chain is described by just two coordinates, namely the position of the grafted monomer, and the monomer…
We have explored isotropically jammed states of semi-2D granular materials through cyclic compression. In each compression cycle, systems of either identical ellipses or bi-disperse disks, transition between jammed and unjammed states. We…
Shear induced particle pressure has been measured and modelled for concentrated suspensions of particles. Importantly, the significance of the shear induced particle pressure has not been recognized in polymer rheology. The shear induced…
Using molecular dynamics (MD) we study the dependency of the contact mechanics on the sliding speed when an elastic block (cylinder) with a ${\rm cos} (q_0 x)$ surface height profile is sliding in adhesive contact on a rigid flat…
We study the thermodynamic properties of a semiflexible polymer confined inside strips of widths L<=9 defined on a square lattice. The polymer is modeled as a self-avoiding walk and a short range interaction between the monomers and the…
We study jammed configurations of hard spheres as a function of compression speed using an event-driven molecular dynamics algorithm. We find that during the compression, the pressure follows closely the metastable liquid branch until the…
The scaling of the slow structural relaxation with the fast caged dynamics is evidenced in the molten salt Ca_{0.4}K_{0.6}(NO_{3}$)_{1.4} (CKN) over about thirteen decades of the structural relaxation time. Glycerol caling was analyzed in…
As an example for the interplay of structure, dynamics, and phase behavior of macromolecular systems, this article focuses on the problem of bottle-brush polymers with either rigid or flexible backbones. On a polymer with chain length…
When sheared, most elastic solids such as metals, rubbers and polymer hydrogels dilate in the direction perpendicular to the shear plane. This well-known behaviour known as the Poynting effect is characterized by a positive normal stress.…
An elastic membrane that is forced to reside in a container smaller than its natural size will deform and, upon further volume reduction, eventually crumple. The crumpled state is characterized by the localization of energy in a complex…
We use computer simulations to investigate the stability of a two-component polymer brush de-mixing on a curved template into phases of different morphological properties. It has been previously shown via molecular dynamics simulations that…
This study addresses the modelling of elastic bodies, particularly when the relaxed configuration is unknown or non-existent. We adopt the theory of initially stressed materials, incorporating the deformation gradient and stress state of…
We present a Brownian dynamics theory with full hydrodynamics (Stokesian dynamics) for a Gaussian polymer chain embedded in a liquid membrane which is surrounded by bulk solvent and walls. The mobility tensors are derived in Fourier space…
In systems such as block copolymer mesophases or physical gels formed by associating copolymers, the dynamical properties are often controlled by the extraction/association of a sticking group. We propose a description of the…
We study irreversible polymer adsorption from dilute solutions theoretically. Universal features of the resultant non-equilibrium layers are predicted. Two cases are considered, distinguished by the value of the local monomer-surface…
Polymer gels are comprised of a three-dimensional, cross-linked network that can typically withstand the mechanical deformation associated with both swelling and de-swelling. Thus, gels can be designed with smart behaviors that require both…
Gels are used to design bilayered structures with high residual stresses. The swelling of a thin layer on a compliant substrate leads to compressive stresses. The post-buckling of this layer is investigated experimentally; the wavelengths…
The influence of structural constraints on the relaxation dynamics of three polyurea networks with varying degree of crosslinking, has been studied by means of a thorough analysis of broadband dielectric spectroscopy measurements. Two…