Computer simulation of self-avoiding walks: Testing the scanning method
- 1 July 1983
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 79 (1) , 502-508
- https://doi.org/10.1063/1.445549
Abstract
The scanning method is a computer simulation technique for macromolecules suggested recently. The method is described here in detail and its applicability (in contrast to other simulation techniques) to a wide range of chain models is discussed. It is argued that for most of these models the scanning method constitutes the most efficient tool for estimating the entropy. The method is applied to self‐avoiding walks (SAWs) (of N≤399 steps) on both a three‐choice square lattice and a five‐choice simple cubic lattice and the results for the entropy, the end‐to‐end distance, the radius of gyration, and other quantities of interest are found to be in very good agreement with the results obtained by other numerical techniques. In particular, our calculations support the law of divergence for the persistence length of SAWs on two‐dimensional lattices suggested recently by Grassberger. However, for the simple cubic lattice, the persistence length is found by us to be constant.Keywords
This publication has 57 references indexed in Scilit:
- Computer simulation of the static and dynamic properties of a polymer chainMacromolecules, 1981
- Self-avoiding-walks (SAW's) on diluted lattices, a Monte Carlo analysisZeitschrift für Physik B Condensed Matter, 1981
- Configurations of macromolecules subject to intermolecular volume exclusionsThe Journal of Chemical Physics, 1977
- Exact enumeration of self-avoiding walks on the cubic lattice terminally attached to an interfaceThe Journal of Chemical Physics, 1976
- Computer simulation of multiple chain systems—equation of state of hard sphere chainsThe Journal of Chemical Physics, 1976
- Computer simulation of multiple chain systems—the effect of density on the average chain dimensionsThe Journal of Chemical Physics, 1974
- Mean-Square Intrachain Distances in a Self-Avoiding WalkThe Journal of Chemical Physics, 1969
- Monte Carlo of Chains with Excluded Volume: a Way to Evade Sample AttritionThe Journal of Chemical Physics, 1969
- Monte Carlo Studies of Configurational and Thermodynamic Properties of Self-Interacting Linear Polymer ChainsThe Journal of Chemical Physics, 1968
- Statistical Computation of Mean Dimensions of Macromolecules. IThe Journal of Chemical Physics, 1954