Related papers: Quantitative Interpretation of Simulated Polymer M…
The mean square displacement $\langle\left(x(t)-x(0)\right)^2\rangle$ of the position $x$ of a free particle of mass $m$ at thermal equilibrium is evaluated quantum mechanically. An analytical expression is obtained which shows an initial…
Quasi-elastic light scattering spectroscopy of dilute solutions of diffusing mesoscopic probe particles is regularly used to examine the dynamics of the fluid through which the probe particles are moving. For probes in a simple liquid, the…
In this paper we study the shape characteristics of a polymer chain in a good solvent using a mesoscopic level of modelling. The dissipative particle dynamics simulations are performed in the $3D$ space at a range of chain lengths $N$. The…
We formulate a self-consistent procedure for calculation of thermodynamic and structural properties of polymer solutions based on the Gaussian equivalent representation method (GER) for functional integrals calculation beyond the mean-field…
We derive an expression for the mean square displacement of a particle whose motion is governed by a uniform, periodic, quantum multi-baker map. The expression is a function of both time, $t$, and Planck's constant, $\hbar$, and allows a…
The mean square displacement per collision of a molecule immersed in a gas at equilibrium is given by its mean square displacement between two consecutive collisions (mean square free path) corrected by a prefactor in the form of a series.…
The relationship for Pulsed-Field-Gradient NMR between the amplitude $I(t)$ of the spin echo and the molecular displacement ${\bf X}(t)$ is examined. $I(t)$ of a single species in a simple solution is determined by the mean-square…
We suggest a governing equation which describes the process of polymer chain translocation through a narrow pore and reconciles the seemingly contradictory features of such dynamics: (i) a Gaussian probability distribution of the…
Translational diffusion coefficients are routinely estimated from molecular dynamics simulations. Linear fits to mean squared displacement (MSD) curves have become the de facto standard, from simple liquids to complex biomacromolecules.…
We study the behavior of threads and polymers in a turbulent flow. These objects have finite spatial extension, so the flow along them differs slightly. The corresponding drag forces produce a finite average stretching and the thread is…
We present an extensive analysis of the relaxation dynamics of entangled linear polymer melts via long-time molecular dynamics simulations of a generic bead-spring model. We study the mean-squared displacements, the autocorrelation function…
Polydispersity is a universal feature of synthetic polymers and biological molecules in the cytoplasm. However, its quantitative impact on collective behavior remains poorly understood because conventional metrics, such as the…
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,…
From scaling arguments and numerical simulations, we investigate the properties of the generalized elastic model (GEM), that is used to describe various physical systems such as polymers, membranes, single-file systems, or rough interfaces.…
The equilibrium partitioning of linear polymer chains into flexible polymer networks is governed by intricate entropic constraints arising from configurational degrees of freedom of both chains and network, yet a quantitative understanding…
In this paper, we present a new approach to the discrete version of the Wormlike Chain Model (WCM) of semiflexible polymers. Our solution to the model is based on a new computational technique called the Generalized Borel Transform (GBT)…
The mean-squared displacement (MSD) of a hard sphere and of a dumbbell molecule consisting of two fused hard spheres immersed in a dense hard-sphere system is calculated within the mode-coupling theory for ideal liquid-glass transitions. It…
This paper considers the problem of estimating the time auto-correlation function for a quantity that is defined in configuration space, given a knowledge of the mean-square displacement as function of time in configuration space. The…
We consider the escape of a flexible, self-avoiding polymer chain out of a confined geometry. By means of simulations, we demonstrate that the translocation time can be described by a simple scaling law that exhibits a nonlinear dependence…
There have been increasing reports that the diffusion coefficient of macromolecules depends on time and fluctuates randomly. Here, a novel method to elucidate the fluctuating diffusivity from trajectory data is developed. The time-averaged…