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1 Computational Methods in Science and Technology

1 2016

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The Comparison of Monte Carlo Algorithms Applied for Off-Lattice Models of Polymer Chains

Kuriata A., Gront D., Sikorski A.

Computational Methods in Science and Technology

2016

Vol. 22, No. 4

179--185

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 thus the system was athermal. Monte Carlo simulations of these models were carried out using Metropolis-like algorithms appropriate for each model: the one-bead displacement and the backrub algorithm. The scaling analysis of the chain’s static and dynamic properties was carried out. The universal behavior of the chain’s properties under consideration was found and discussed. The efficiency of both algorithms was compared and discussed.