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Issue 22, 2009
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Studying soft matter with “soft” potentials: fast lattice Monte Carlo simulations and corresponding lattice self-consistent field calculations

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Abstract

We introduce fast lattice Monte Carlo (FLMC) simulations, where multiple occupancy of lattice sites is allowed with a proper Boltzmann weight and thus the evaluation of nearest-neighbor interactions can also be avoided. FLMC simulations (with multiple occupancy of lattice sites and Kronecker δ-function interactions) are much more efficient, in the study of equilibrium properties of soft matter such as polymers, than both conventional lattice MC simulations (with self- and mutual-avoiding walks and nearest-neighbor interactions) and fast off-lattice MC simulations (with pair-potential calculations). When compared with the corresponding lattice field theories based on the same Hamiltonian, FLMC simulations further provide a powerful means for unambiguously and quantitatively revealing the effects of long-wavelength correlations/fluctuations. Using confined homopolymers as an example, we report for the first time FLMC simulation data ranging from the single-chain case all the way to the lattice self-consistent field limit.

Graphical abstract: Studying soft matter with “soft” potentials: fast lattice Monte Carlo simulations and corresponding lattice self-consistent field calculations

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Publication details

The article was received on 07 May 2009, accepted on 30 Jun 2009 and first published on 06 Aug 2009


Article type: Paper
DOI: 10.1039/B909078A
Soft Matter, 2009,5, 4564-4567

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    Studying soft matter with “soft” potentials: fast lattice Monte Carlo simulations and corresponding lattice self-consistent field calculations

    Q. Wang, Soft Matter, 2009, 5, 4564
    DOI: 10.1039/B909078A

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