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  • 1
    Digitale Medien
    Digitale Medien
    Springer
    Journal of computer-aided materials design 2 (1995), S. 1-8 
    ISSN: 1573-4900
    Schlagwort(e): Monte Carlo ; Modelling ; BPA-PC ; Ellipsoidal model ; Non-spherical interactions
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau
    Notizen: 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.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    Springer
    The European physical journal 94 (1994), S. 301-309 
    ISSN: 1434-6036
    Schlagwort(e): 05.50 ; 75.10.H
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: 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.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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