相关论文: Normal Modes of Rouse-Ham Symmetric Star Polymer M…
Using extensive computer simulations, the behavior of the structural modes --- more precisely, the eigenmodes of a phantom Rouse polymer --- are characterized for a polymer in the three-dimensional repton model, and are used to study the…
We present a method for modelling star-forming clouds that combines two different models of the thermal evolution of the interstellar medium (ISM). In the combined model, where the densities are low enough that at least some part of the…
Recent years have seen substantial advances in the development of biofunctional materials using synthetic polymers. The growing problem of elusive sequence-functionality relations for most biomaterials has driven researchers to seek more…
Polymer melts with chains undergoing reversible crosslinking have distinctively favorable dynamic properties, e.g., self healing and reprocessability. In these situations there are two relevant elementary time scales: the segmental and the…
To study the cooling behavior and the glass transition of polymer melts in bulk and with free surfaces a coarse-grained weakly semi-flexible polymer model is developed. Based on a standard bead spring model with purely repulsive…
We design and synthesize unentangled associative polymers carrying unprecedented high fractions of stickers, up to eight per Kuhn segment, that can form strong pairwise hydrogen bonding of $\sim20k_BT$ without microphase separation. The…
Recent advances in Generalized Ensemble simulations and microcanonical analysis allowed the investigation of structural transitions in polymer models over a broad range of local bending and torsion strengths. It is reasonable to argue that…
The dynamics of structural relaxation in a model polymer glass subject to spatially-homogeneous, time-periodic shear deformation is investigated using molecular dynamics simulations. We study a coarse-grained bead-spring model of short…
We review some recent coarse-graining and multi-scale methods, but also put forward some new ideas for addressing such issues. We find that, if one is guided by nonequilibrium statistical mechanics and thermodynamics, it is possible to…
Using computer simulations in two dimensions we investigate the dynamics and structure of passive polymeric tracer with different topologies immersed in a low-density active particle bath. One of the key observations is that polymer exhibit…
We investigate the angular normal modes for small oscillations about an equilibrium of a single-component coulomb cluster confined by a radially symmetric external potential to a circle. The dynamical matrix for this system is a Laplacian…
We propose a highly coarse-grained simulation model for crystalline polymer solids with crystalline lamellar structures. The mechanical properties of a crystalline polymer solid are mainly determined by the crystalline lamellar structures.…
Semiflexible polymer models are widely used as a paradigm to understand structural phases in biomolecules including folding of proteins. Since stable knots are not so common in real proteins, the existence of stable knots in semiflexible…
We analyze star-type networks of phase oscillators by virtue of two methods. For identical oscillators we adopt the Watanabe-Strogatz approach, that gives full an- alytical description of states, rotating with constant frequency. For…
Both numerical simulations and observational evidence indicate that the outer regions of galaxies and dark matter haloes are typically mildly to significantly radially anisotropic. The inner regions can be significantly non-isotropic,…
We propose a theory of the dynamics of polymers in dilute solution, in which the popular Zimm and Rouse models are limiting cases of infinitely large and small draining parameter. The equation of motion for the polymer segments beads) is…
The present contribution focuses on the thermodynamically consistent mechanical modeling of the strain-induced crystallization in unfilled polymers. This phenomenon is of particular importance for the mechanical properties of polymers as…
We show that by coupling complex three-state systems to branched-polymer like ensembles we can obtain models with gamma-string different from one half. It is also possible to study the interpolation between dynamical and crystalline graphs…
By employing monomer-resolved computer simulations and analytical considerations based on polymer scaling theory, we analyze the conformations and interactions of multiarm star polymers strongly adsorbed on a smooth, two-dimensional plane.…
A coarse-graining strategy, previously developed for polymer solutions, is extended here to mixtures of linear polymers and hard-sphere colloids. In this approach groups of monomers are mapped onto a single pseudoatom (a blob) and the…