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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of computer-aided materials design 2 (1995), S. 1-8 
    ISSN: 1573-4900
    Keywords: Monte Carlo ; Modelling ; BPA-PC ; Ellipsoidal model ; Non-spherical interactions
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Summary We introduce a new general model for the simulation of dense macromolecular systems. It consists of basic ellipsoidally shaped units stringed together to form chains, including branched and side chains. The ellipsoidally shaped unit can vary in its principal axes, allowing for flexible modeling of a chain. The variation in the main principal axis is used for the intramolecular potential of the bond type. Intramolecular units interact through a harmonic bond-angle potential and the intermolecular interaction is modelled by a confocally decreasing Lennard-Jones potential. We present the model for the special case of a polycarbonate and indicate the generalization to other cases.
    Type of Medium: Electronic Resource
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  • 2
    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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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 36 (1984), S. 447-470 
    ISSN: 1572-9613
    Keywords: Classical nucleation theory ; droplet definitions ; lattice gas ; Monte Carlo ; spinodal
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We present Monte Carlo experiments on nucleation theory in the nearest-neighbor three-dimensional Ising model and in Ising models with long-range interactions. For the nearest-neighbor model, our results are compatible with the classical nucleation theory (CNT) for low temperatures, while for the long-range model a breakdown of the CNT was observed near the mean-field spinodal. A new droplet model and a zeroth-order theory of droplet growth are also presented.
    Type of Medium: Electronic Resource
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