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    Monte Carlo dynamics of diamond-lattice multichain systems

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    Date
    1986-01-30
    Author
    Kolinski, Andrzej
    Skolnick, Jeffrey
    Yaris, Robert
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    Abstract
    We present preliminary results of Monte Carlo studies on the dynamics of multichain diamond-lattice systems at considerably greater densities than those done previously. Chain dynamics were simulated by a random sequence of three or four bond kink motions. The single bead autocorrelation function exhibits "slow" mode relaxation behavior with a g(t)∝ tβ. There is a smooth crossover from Rouse-like dynamics, β=1/2, at low density to smaller values of β at higher density and β=0 at the glass transition density (φG≅0.92). The simulation provides a self-diffusion coefficient D ∝ n-2, with n the number of beads, in agreement with experiment. A phenomenological model, different from the widely accepted reptation picture, is proposed.
    URI
    http://hdl.handle.net/1853/27919
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    • Skolnick Research Group Publications [74]

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