Dynamic Monte Carlo simulations of dense polymer systems on the tetrahedral lattice: a liquid-glass-type transition

The mean square displacement of chain beads, 〈R2i (t)〉 has been studied for systems having total bead densities in the range 0.875 to 0.980. On increasing the density, the bead diffusion presents a sharp step from a liquid-like behavior to a glass-like one. Such a transition is observed for systems...

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Veröffentlicht in:The Journal of chemical physics 1984-01, Vol.81 (1), p.567-570
Hauptverfasser: DEJEAN DE LA BATIE, R, VIOVY, J.-L, MONNERIE, L
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creator DEJEAN DE LA BATIE, R
VIOVY, J.-L
MONNERIE, L
description The mean square displacement of chain beads, 〈R2i (t)〉 has been studied for systems having total bead densities in the range 0.875 to 0.980. On increasing the density, the bead diffusion presents a sharp step from a liquid-like behavior to a glass-like one. Such a transition is observed for systems containing either chains only or chains and free beads, but in this latter case it occurs at a higher total density. Furthermore, this transition has some geometrical features of a dynamic percolation and shows similarities to the equilibrium liquid-glass transition theory proposed by Cohen and Grest.
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subjects Applied sciences
Exact sciences and technology
Organic polymers
Physicochemistry of polymers
Properties and characterization
title Dynamic Monte Carlo simulations of dense polymer systems on the tetrahedral lattice: a liquid-glass-type transition
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