Factors Contributing to the Glass-Forming Ability of a Simulated Molecular Liquid
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Department of Chemistry, University of California, Berkeley, California 94720-1460, United States
School of Chemistry, University of Sydney, Sydney NSW 2006, Australia
E-mail: [email protected], [email protected]
Abstract
The time scales of crystallization of two model liquids, an atomic liquid and a molecular liquid of bent trimers originally introduced as a model of the glass the former o-terphenyl, are determined using molecular dynamics simulations. The molecular liquid is found to have a minimum crystallization time, on supercooling, that is 104 times larger than that of the atomic liquid. We present evidence that this enhanced glass-forming ability is due, in equal parts, to the slower dynamics and the larger crystal–liquid interfacial free energy in the molecular liquid.
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