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Chemistry

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Selected Works

Randall W. Hall

Selected Works

2008

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Intermolecular Forces And The Glass Transition, Randall W. Hall, Peter G. Wolynes Dec 2007

Intermolecular Forces And The Glass Transition, Randall W. Hall, Peter G. Wolynes

Randall W. Hall

Random first-order transition theory is used to determine the role of attractive and repulsive interactions in the dynamics of supercooled liquids. Self-consistent phonon theory, an approximate mean field treatment consistent with random first-order transition theory, is used to treat individual glassy configurations, whereas the liquid phase is treated using common liquid-state approximations. Free energies are calculated using liquid-state perturbation theory. The transition temperature,, the temperature where the onset of activated behavior is predicted by mean field theory; the lower crossover temperature,, where barrierless motions actually occur through fractal or stringy motions (corresponding to the phenomenological mode coupling transition temperature); and, …