相关论文: Dynamics of n-alkanes: Comparison to Rouse Model

We present molecular dynamics study of a generic (coarse-grained) model for single-polymer diffusion confined in a corrugated cylinder. For a narrow tube, i.e., diameter of the cylinder $\delta < 2.3$, the axial diffusion coefficient…

We present simulations of the motion of a single rigid rod in a disordered static 2d-array of disk-like obstacles. The rotational, $D_{\rm R}$, and center-of-mass translational, $D_{\rm CM}$, diffusion constants are calculated for a wide…

We present data of Monte Carlo simulations for monodisperse linear polymer chains in dense melts with degrees of polymerization between N=16 and N=512. The aim of this study is to investigate the crossover from Rouse-like dynamics for short…

The role of internal motions and molecular geometry on $^1$H NMR relaxation times $T_{1,2}$ in hydrocarbons is investigated using MD (molecular dynamics) simulations of the autocorrelation functions for in{\it tra}molecular $G_R(t)$ and…

In this paper we derive here, on the basis of the NS eqs. a set of fusion rules for correlations of velocity differences when all the separation are in the inertial interval. Using this we consider the standard hierarchy of equations…

Among the numerous anomalies of water, the acceleration of dynamics under pressure is particularly puzzling. Whereas the diffusivity anomaly observed in experiments has been reproduced in several computer studies, the parallel viscosity…

The dynamics of ring polymer melts are studied via molecular dynamics simulations of the Kremer-Grest bead-spring model. Rouse mode analysis is performed in comparison with linear polymers by changing the chain length. Rouse-like behavior…

We have simulated the dynamics of a 2D gas of hard needles by event-oriented molecular dynamics. Various quantities namely translational and rotational diffusion constants and intermediate self scattering function have been explored and…

The dynamic behavior of the interfaces in the standard and random driven lattice gas models (DLG and RDLG respectively) is investigated via numerical Monte Carlo simulations in two dimensions. For $T\lesssim T_c$, the average interface…

We have carried out extensive molecular dynamics simulations of a supercooled polydisperse Lennard-Jones liquid with large variations in temperature at a fixed pressure. The particles in the system are considered to be polydisperse both in…

The mixtures CH$_3$(CH$_2$)$_{u-1}$COO(CH$_2$)$_{v-1}$CH$_3$ ($u=5-13$, $v=1,2$; $u=1,2,3$, $v=3,4$; $u=1,2,4$, $v=5$) + n-alkane have been investigated using experimental data (viscosity and excess molar functions: enthalpy,…

Chemical reactions inside cells are typically subject to the effects both of the cell's confining surfaces and of the viscoelastic behavior of its contents. In this paper, we show how the outcome of one particular reaction of relevance to…

Generalization of the Rouse model without any use of the postulates concerning the Gaussian distribution of the vector connecting the ends of segments is advanced. In the initial (in general, nonlinear) Langevin equations, self-averaging…

We investigate the dynamics of electrons in the vicinity of the Anderson transition in $d=3$ dimensions. Using the exact eigenstates from a numerical diagonalization, a number of quantities related to the critical behavior of the diffusion…

Substantial collective flow is observed in collisions between large nuclei at high energy, and the data are well-reproduced by perfect fluid dynamics. In a separate development, calculation of the dimensionless ratio of shear viscosity…

We study the dynamics of a 2d driven inelastic gas, by means of Direct Simulation Monte Carlo (DSMC) techniques, i.e. under the assumption of Molecular Chaos. Under the effect of a uniform stochastic driving in the form of a white noise…

We study analytically the tracer particle mobility in single-file systems with distributed friction constants. Our system serves as a prototype for non-equilibrium, heterogeneous, strongly interacting Brownian systems. The long time…

Starting from a Zimm model we study selfdiffusion in a solution of crosslinked monomers. We focus on the effects of the hydrodynamic interaction on the dynamics and the critical behaviour at the sol-gel-point. Hydrodynamic interactions…

By means of Brownian dynamics simulations we study the steady-state dynamic properties of a flexible active polymer in a poor solvent condition. Our results show that the effective diffusion constant of the polymer $D_{\rm eff}$ gets…

This work establishes an exact relationship between the zero-shear viscosity and the radius of gyration for generalized Rouse model with arbitrary network configurations. Building on this fundamental relationship, we develop a random graph…