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

• Autorzy: Kuriata A. , Gront D. , Sikorski A.

Identyfikatory

DOI

10.12921/cmst.2016.0000052

• Języki publikacji: EN

Abstrakty

EN

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.

Słowa kluczowe

EN

Backrub algorithm; computer simulation; Monte Carlo method; off-lattice models; polymer dynamics

• Wydawca: Institute of Bioorganic Chemistry Scientific Publishers OWN, Polish Academy of Sciences
• Czasopismo: Computational Methods in Science and Technology
• Rocznik: 2016
• Tom: Vol. 22, No. 4
• Strony: 179--185
• Opis fizyczny: Bibliogr. 25 poz., rys.

Twórcy

autor

Kuriata A.

• Department of Chemistry, University of Warsaw Pasteura 1, 02-093 Warszawa, Poland

autor

Gront D.

• Department of Chemistry, University of Warsaw Pasteura 1, 02-093 Warszawa, Poland

autor

Sikorski A.

• Department of Chemistry, University of Warsaw Pasteura 1, 02-093 Warszawa, Poland

Bibliografia

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Uwagi

PL

Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę.