Enhanced cooperativity below the caging temperature of glass-forming liquids

The utility of a cooperative length scale for describing the dynamics of small molecule glass-formers is shown. Molecular Dynamics and Monte Carlo simulations reveal a distribution of cooperatively moving fractal events below the temperature Ta at which dynamics become caged. Guided by these results...

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Published in:arXiv.org 2004-09
Main Authors: Erwin, B M, Colby, R H, Kamath, S Y, Kumar, S K
Format: Article
Language:English
Subjects:
Computer simulation
Glass
Molecular dynamics
Monte Carlo simulation
NMR
Nuclear magnetic resonance
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Colby, R H
Kamath, S Y
Kumar, S K
description The utility of a cooperative length scale for describing the dynamics of small molecule glass-formers is shown. Molecular Dynamics and Monte Carlo simulations reveal a distribution of cooperatively moving fractal events below the temperature Ta at which dynamics become caged. Guided by these results, four straightforward methods emerge to recognize Ta in experimental data and quantify the length scale that grows on cooling below Ta. This length scale is consistent with 4-D NMR experiments which are sensitive to the slow moving population.
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subjects Computer simulation
Glass
Molecular dynamics
Monte Carlo simulation
NMR
Nuclear magnetic resonance
title Enhanced cooperativity below the caging temperature of glass-forming liquids
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