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References (18)
-
¼ 64; W: N ¼ 128. Solid line: calculation by Eq -
(1997)
General reptation and scaling of 2d, 107
-
K. Binder, W. Paul (1997)
Monte Carlo simulations of polymer dynamics: Recent advancesJournal of Polymer Science Part B, 35
-
T. Pakuła (1987)
Cooperative Relaxations in Condensed Macromolecular Systems. 1. A Model for Computer SimulationMacromolecules, 20
-
J. Reiter (1990)
Monte Carlo simulations of linear and cyclic chains on cubic and quadratic latticesMacromolecules, 23
-
P. Nelson, T. Hatton, G. Rutledge (1997)
General reptation and scaling of 2d athermal polymers on close-packed latticesJournal of Chemical Physics, 107
-
P. Verdier (1966)
Monte Carlo Studies of Lattice‐Model Polymer Chains. I. Correlation Functions in the Statistical‐Bead ModelJournal of Chemical Physics, 45
-
R. Azuma, Hajime Takayama (1998)
A new bond fluctuation method for a polymer undergoing gel electrophoresis -
M. Murat, T. Witten (1990)
Relaxation in bead-jump polymer simulationsMacromolecules, 23
-
Qin Yuan (2002)
Cooperative Motion Algorithm from Dynamic Monte Carlo Simulation of Polymer -
Qin Yuan (2001)
Dynamic Monte Carlo Simulation of Polymer Cooperative Motion Algorithm in 2-Dimensional Triangle LatticeJournal of Functional Polymers
-
K. Haire, T. Carver, A. Windle (2001)
A Monte Carlo lattice model for chain diffusion in dense polymer systems and its interlocking with molecular dynamics simulationComputational and Theoretical Polymer Science, 11
-
(1991)
Dynamic Monte Carlo simulation of high concentration multichainsystem: bond fluctuation model and cavity diffusion algorithm -
H. Hilhorst, J. Deutch (1975)
Analysis of Monte Carlo results on the kinetics of lattice polymer chains with excluded volumeJournal of Chemical Physics, 63
-
FIGURE 9 End-to-end vector correlation function S: N ¼ 32 -
P. Verdier, W. Stockmayer (1962)
Monte Carlo Calculations on the Dynamics of Polymers in Dilute SolutionJournal of Chemical Physics, 36
-
I. Carmesin, K. Kremer (1988)
The bond fluctuation method: a new effective algorithm for the dynamics of polymers in all spatial dimensionsMacromolecules, 21
-
Feng Jie (2000)
Monte Carlo Simulation for Microphase Separation of Diblock CopolymersJournal of East China University of Science and Technology
- Publisher
- Taylor & Francis
- Copyright
- Copyright Taylor & Francis Group, LLC
- ISSN
- 1029-0435
- eISSN
- 0892-7022
- DOI
- 10.1080/0892702031000103185
- Publisher site
- See Article on Publisher Site
Abstract
If the elementary move is carefully chosen, the Monte Carlo process can be used to simulate the dynamics of the polymers in a coarse-grained sense. It is generally believed that only local move algorithms, for example, generalized Verdier–Stockmayer algorithm and bond fluctuation method, are suitable for dynamic Monte Carlo simulation of polymer. In this work, we use a cooperative move algorithm, in which several connected segments of the polymer can move collectively, to simulate the self-avoiding walk (SAW) and random walk (RW) chains on the 2-dimensional triangle lattice. We find this cooperative move algorithm can reproduce the result of Rouse theory well, so it can be used as a dynamic Monte Carlo simulation algorithm. The cooperative move algorithm is more realistic than the conventional local move ones in that it can mimic the tensile forces in the polymer chains.
Journal
Molecular Simulation – Taylor & Francis
Published: Oct 1, 2003
Keywords: Monte Carlo simulation; Polymer; Dynamics