ﻻ يوجد ملخص باللغة العربية
The statistical mechanics of single polymer knots is studied using Monte Carlo simulations. The polymers are considered on a cubic lattice and their conformations are randomly changed with the help of pivot transformations. After each transformation, it is checked if the topology of the knot is preserved by means of a method called pivot algorithm and excluded area (in short PAEA) and described in a previous publication of the authors. As an application of this method the specific energy, the radius of gyration and heat capacity of a few types of knots are computed. The case of attractive short-range forces is investigated. The sampling of the energy states is performed by means of the Wang-Landau algorithm. The obtained results show that the specific energy and heat capacity increase with increasing knot complexity as in the case of repulsive interactions. The data about the gyration radius allow to estimate the size of the polymer knots at different temperatures.
Using Langevin dynamics simulations, we investigate the influence of polymer-pore interactions on the dynamics of biopolymer translocation through nanopores. We find that an attractive interaction can significantly change the translocation dynamics.
The aggregation of attractive colloids has been extensively studied from both theoretical and experimental perspectives as the fraction of solid particles is changed, and the range, type and strength of attractive or repulsive forces between particle
We study the driven translocation of polymers under time-dependent driving forces using $N$-particle Langevin dynamics simulations. We consider the force to be either sinusoidally oscillating in time or dichotomic noise with exponential correlation t
Extensive molecular dynamics simulations show that a short-range central potential, suited to model C60, undergoes a high temperature transition to a glassy phase characterized by the positional disorder of the constituent particles. Crystallization,
We present a numerical study of the slip link model introduced by Likhtman for describing the dy- namics of dense polymer melts. After reviewing the technical aspects associated with the implemen- tation of the model, we extend previous work in sever