LAST ISSUE
MANUSCRIPT SUBMISSION
FUTURE ISSUES
ALL ISSUES
DATABASES
Blog Archives
The f.c.c. Crystals of Hard Spheres with an Array of [001]-Nanochannel Inclusions Filled by the Simplest Hard Sphere Molecules
In this work the systems composed of particles interacting with hard potential are investigated. These systems feature certain modifications to the crystal structure – selected particles are replaced with ones that differ slightly in their diameters. Such modifications, which can be thought of ...
Subdiffusive Behavior in Crowded Environments: Impact of Obstacle Mobility and Spatial Restrictions
Biological systems are generally dense reaction-diffusion systems. Therefore, determining the mechanism of motion in such systems is of crucial importance in understanding their dynamics. Subdiffusive behavior is very common in biological systems but its origin usually does not have a clear expla ...
Dendrimers vs. Hyperbranched Polymers: Studies of the Polymerization Process Based on Monte Carlo Simulations
A simple model was developed for studies of the polymerization process of branched polymers. Monte Carlo simulations were carried out by means of the Dynamic Lattice Liquid algorithm. A living polymerization in bulk of dendrimers and hyperbranched polymers was studied. The mass and structure of b ...
Computer Simulation of the Dynamic Behavior of Double Polymer Brush-Solvent Systems
Opposing polymer brush systems were investigated by computer simulations. In a coarse-grained model, chains were restricted to a face-centered cubic lattice with the excluded volume interactions only. The macromolecules were grafted onto two parallel impenetrable surfaces. The dynamic properties ...
The Influence of Temperature on the Percolation Threshold in Two-Dimensional Polymer Systems
The structure of a two-dimensional film formed by strongly adsorbed polymer chains was studied by means of Monte Carlo simulations. We investigated the percolation in systems consisting of flexible polymer chains. A coarse-grained polymer chains representation was assumed and polymer chains were ...
The Comparison of Monte Carlo Algorithms Applied for Off-Lattice Models of Polymer Chains
We designed two simplified models of macromolecular systems. Model chains were built of united atoms (statistical segments): the first one was a bead-spring model while in the second one beads were connected by bonds of constant length. The only potential introduced was the excluded volume and th ...
Computer Simulation of Cyclic Polymers in Disordered Media
In order to determine the structure and dynamical properties of cyclic polymers (rings) in a random environment we developed and studied an idealized model. All atomic details were suppressed, chains were represented as a sequence of identical beads and were embedded to a simple cubic lattice. A ...
On Relative Stability of Selected Hard Tetramer Solids
The Einstein crystal method was used to determine free energy differences between some crystalline structures of hard, homonuclear tetramers. The tetramers, each built of four identical hard spheres centered on vertices of a regular tetrahedron of sides equal to the sphere diameter, were arranged ...
Configurational Temperature and Monte Carlo Simulations
Two configurational temperature expressions are investigated from the point of view of their utility as a diagnostic tool for Monte Carlo (MC) simulations. The MC calculations were performed for systems of spherically symmetric particles in the bulk and in a channel. Different density and system ...
Percolation in Systems Containing Ordered Elongated Objects
We studied the percolation and jamming of elongated objects using the Random Sequential Adsorption (RSA) technique. The objects were represented by linear sequences of beads forming needles. The positions of the beads were restricted to vertices of two-dimensional square lattice. The external f ...
