The folding transition of single, long semiflexible polymers was studied with special emphasis on the chain length effect using Monte Carlo simulations. While a relatively short chain (10-25 Kuhn segments) undergoes a large discrete transition between swollen coil and compact toroid conformations, a long chain (50 Kuhn segments) exhibits an intrachain segregated state between the disordered coi...

2014 Self-avoiding polymer chains trapped in annealed random media have been investigated by Monte Carlo methods. It is found that the configurational characteristics of a polymer are not affected by the media and are independent of the concentration of the impurities. This is in agreement with an early conjecture, but in disagreement with recent analytical results. J. Phys. France 51 ( 1990) 1...

Detailed agreements between the predictions of the coupling model and the results of Monte Carlo simulations and a molecular dynamics simulation on the dynamics of the center-of-mass diffusion of entangled multichain systems are pointed out. These are further discussed in conjunction with real experimental data.

We present the results of kinetic Monte Carlo simulations aimed at exploring the effect of copolymer sequence distribution on the dynamics of phase separation of an immiscible A/B binary homopolymer blend. Diblock, protein-like copolymers (PLCs), simple linear gradient, random, and alternating copolymers having equal number of A and B segments, identical chemical composition, and chain length a...

We have studied the transition in shape of two dimensional polyampholytes using Monte Carlo simulation. We observe that polymers with randomly charged monomers get into a globular shape at lower temperatures, provided that their total charge is below a critical value Q c. Collapse into globular form happens for all forms of force law, but the critical charge depends on the form of the force law...

Background: One of the main problems of dedicated IORT accelerators is to determine dosimetric characteristics of the electron beams. Monte Carlo simulation of IORT accelerator head and produced beam will be useful to improve the accuracy of beam dosimetry.Materials and Methods: Liac accelerator head was modeled using the BEAMnrcMonte Carlo simulation system. Phase-space files were generated at...