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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 7726-7740 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The bond fluctuation model on the simple cubic lattice is studied by Monte Carlo simulations on a multitransputer array, for polymer volume fractions φ in the range 0.025≤φ≤0.500 and chain lengths N in the range 20≤N≤200. Extensive data are presented on the dynamics of monomer displacements, center-of-gravity displacements, and relaxation times. This study is complementary to previous work, in which the crossover scaling properties of the chain linear dimensions, structure factor, and self-diffusion constant were tested for the same athermal model. The simulation technique takes both excluded volume interactions and entanglement constraints into account, but ignores hydrodynamic forces. Our results describe the crossover from Rouse behavior of swollen chains (τ∼N1+2ν, ν being the exponent describing the radius R of the chains, R∼Nν ) to reptation, τ∼N3. Since the excluded volume screening length is found to be smaller than the tube diameter by a factor of about 3, the rescaled times Wτ/N1+2ν decrease first as a function of the scaled chain length N˜∼Nφ1/(3ν−1), before they increase due to the onset of reptation. Additional evidence for reptative behavior is found by identifying the several successive crossovers in the time-dependent displacements predicted by de Gennes.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Macromolecules 24 (1991), S. 6332-6334 
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1572-9613
    Keywords: Percolation ; “physical clusters” ; Ising model ; Monte Carlo simulation ; finite-size scaling ; Fortuin-Kasteleyn representation ; Swendsen-Wang algorithm
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Finite squareL×L Ising lattices with ferromagnetic nearest neighbor interaction are simulated using the Swendsen-Wang cluster algorithm. Both thermal properties (internal energyU, specific heatC, magnetization 〈|M|〉, susceptibilityχ) and percolation cluster properties relating to the “physical clusters,” namely the Fortuin-Kasteleyn clusters (percolation probability 〈P ∞〉, percolation susceptibilityχ p, cluster size distributionn l) are evaluated, paying particular attention to finite-size effects. It is shown that thermal properties can be expressed entirely in terms of cluster properties, 〈P ∞〉 being identical to 〈|M|〉 in the thermodynamic limit, while finite-size corrections differ. In contrast,χ p differs fromχ even in the thermodynamic limit, since a fluctuation in the size of the percolating net contributes toχ, but not toχ p. NearT c the cluster size distribution has the scaling properties as hypothesized by earlier phenomenological theories. We also present a generalization of the Swendsen-Wang algorithm allowing one to cross over continuously to the Glauber dynamics.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 94 (1994), S. 301-309 
    ISSN: 1434-6036
    Keywords: 05.50 ; 75.10.H
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract This paper describes the application of finite-size scaling concepts to domain growth in systems with a non-conserved order parameter. A finite-size-scaling ansatz for the time-dependent order parameter distribution function is proposed, and tested with extensive Monte-Carlo simulations of domain growth in the 2-D spin-flip kinetic Ising model. The scaling properties of the distribution functions serve to elucidate the configurational self-similarity that underlies the dynamic scaling picture. Moreover, it is demonstrated that the application of finite-size-scaling techniques facilitates the accurate determination of the bulk growth exponent even in the presence of strong finite-size effects, the scale and character of which are graphically exposed by the order parameter distribution function. In addition it is found that one commonly used measure of domain size-the scaled second moment of the magnetisation distribution-belies the full extent of these finite-size effects.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Basel : Wiley-Blackwell
    Die Makromolekulare Chemie, Theory and Simulations 2 (1993), S. 299-308 
    ISSN: 1018-5054
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: We describe a hybrid Monte Carlo algorithm, combining molecular dynamics with the Monte Carlo method, applied to the simulation of polymer systems. It is shown that observables are independent of the discretization error, and the performance, i.e., autocorrelation times of observables, is analyzed. For a dense system representing a polyethylene melt, we present data for the pair distribution function and the mean square displacement of a chain in the bulk. We also investigate the possibility of using a scaled Hamiltonian in the algorithm.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 6
    Title: Monte Carlo Simulation in statistical physics: an introduction; 80
    Author: Binder, Kurt
    Contributer: Heermann, Dieter W.
    Publisher: Berlin u.a. :Springer,
    Year of publication: 1992
    Pages: 129 S.
    Series Statement: Springer series in solid-state sciences 80
    Type of Medium: Book
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