Related papers: Non-Gaussian dynamics from a simulation of a short…
Mean-field techniques provide a rather accurate description of single-chain conformations in spatially inhomogeneous polymer systems containing interfaces or surfaces. Intermolecular correlations, however, are not described by the…
The contact values $g(\sigma,\sigma')$ of the radial distribution functions of a fluid of (additive) hard spheres with a given size distribution $f(\sigma)$ are considered. A ``universality'' assumption is introduced, according to which, at…
We compare the steady state velocity distributions from our three-dimensional inelastic hard sphere molecular dynamics simulation for homogeneously heated granular media, with the predictions of a mean field-type Enskog-Boltzmann equation…
We simulate, using nonperturbative methods, the real-time dynamics of small bubbles of "false vacuum" in a quantum spin chain near criticality, where the low-energy physics is described by a relativistic (1+1)-dimensional quantum field…
Polymer networks formed by cross linking flexible polymer chains are ubiquitous in many natural and synthetic soft-matter systems. Current micromechanics models generally do not account for excluded volume interactions except, for instance,…
Analytical treatments of polymer dynamics have mostly been restricted to linear response theory around some steady state obtained via perturbative field theory. Here, I derive an analytical framework that yields unified access to the…
A diagrammatic kinetic theory of density fluctuations in simple dense liquids at long times, described in the preceding paper, is applied to a high density Lennard-Jones liquid to calculate various equilibrium time correlation functions.…
The effect of non-Boltzmann energy distributions on the free propagation of shock waves through a monoatomic gas is investigated via theory and simulation. First, the non-Boltzmann heat capacity ratio $\gamma$, as a key property for…
We present a Generalized Langevin Equation for the dynamics of interacting semiflexible polymer chains, undergoing slow cooperative dynamics. The calculated Gaussian intermolecular center-of-mass and monomer potentials, wich enter the GLE,…
A fundamental step in the rational design of vascular targeted particles is the firm adhesion at the blood vessel walls. Here, a combined Lattice Boltzmann Immersed Boundary model is presented for predicting the near wall dynamics of…
The statistical "monomer-based" segment length $b$ and the Kuhn length $l_k$ are central to polymer physics, yet the minimal size required for a truly statistical segment - Gaussian, uncorrelated, and valid as an entropic spring - is not…
We investigate diffusion-limited reactions between a diffusing particle and a target site on a semiflexible polymer, a key factor determining the kinetics of DNA-protein binding and polymerization of cytoskeletal filaments. Our theory…
We present computer simulations of a simple bead-spring model for polymer melts with intramolecular barriers. By systematically tuning the strength of the barriers, we investigate their role on the glass transition. Dynamic observables are…
We discuss theoretically and numerically the intramolecular form factor $F(q)$ in dense polymer systems. Following Flory's ideality hypothesis, chains in the melt adopt Gaussian configurations and their form factor is supposed to be given…
Small angle X-ray scattering (SAXS) studies in poly[2-methoxy-5-(2'-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) with varying conjugation, and polyethylene dioxythiophene complexed with polystyrene sulfonate (PEDOT-PSS) in different…
We revisit a model of semiflexible Gaussian chains proposed by Winkler \textit{et al}, solve the dynamics of the discrete description of the model and derive exact algebraic expressions for some of the most relevant dynamical observables,…
Parallel-tempering MD results for a CH$_3$(CH$_2$-O-CH$_2$)$_m$CH$_3$ chain in water are exploited as a data-base for analysis of collective structural characteristics of the PEO globule with a goal of defining models permitting statistical…
The dynamics of loop formation by linear polymer chains has been a topic of several theoretical/experimental studies. Formation of loops and their opening are key processes in many important biological processes. Loop formation in flexible…
We analyzed extensively the dynamics of polymer chains in solutions simulated with dissipative particle dynamics (DPD), with a special focus on the potential influence of a low Schmidt number of a typical DPD fluid on the simulated polymer…
In this work, an improved methodology for studying interactions of proteins in solution by small-angle scattering, is presented. Unlike the most common approach, where the protein-protein correlation functions $g_{ij}(r)$ are approximated…