New Multi-Bond Algorithm for Monte Carlo Simulation of Lattice Chains |
| P. Romiszowski and A. Sikorski Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland |
| Received: February 2, 1999; revised version August 3, 1999 |
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| The new algorithm for the Monte Carlo simulations of polymer lattice chains was developed. The model chains were constructed on a simple cubic lattice. The simulations were carried out on chains with and without excluded volume effect using the Metropolis scheme. The basic concept of the new algorithm is the multi-bond modification of the chain conformation instead of applying the classical set of elementary micromodifications. The correctness of the algorithm was verified by studying both static and dynamic properties of the chains. The new algorithm was found to be 3 to 8 times faster than the classical one. |
| DOI: 10.12693/APhysPolA.96.691 PACS numbers: 02.50.Ng, 61.25.Hq |