A Family of Systematically Softened Glass-Formers

Friday, October 21, 2011: 9:30 AM
101 F (Minneapolis Convention Center)
Zane Shi, Department of Physics, Princeton University, Princeton, NJ, Pablo G. Debenedetti, Department Chemical and Biological Engineering, Princeton University, Princeton, NJ and Frank H. Stillinger, Department of Chemistry, Princeton University, Princeton, NJ

We present a computational study of a family of binary glass-forming mixtures that interact via a generalized n-6 potential, where n = 7, 8, 9, 10, 11, 12. The potentials are constrained such that the location and depth of the potential minimum are constant across all members of the family. We investigate the effects of softening on thermodynamic quantities such as energy and entropy, as well as dynamic properties such as diffusion and scattering. We also investigate the effects of softening on the energy landscape. In spite of the imposed constraint on well depth and location, we find profound effects of softening on all aspects of liquid and glassy behavior. The stability of the glasses is greatly enhanced by softening (soft liquids make hard glasses), and the relaxation rates in the corresponding liquids increase markedly upon softening. We present a comprehensive analysis of kinetic and thermodynamic fragilities in this family of glass-formers.

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See more of this Session: Supercooled Liquids and Glasses
See more of this Group/Topical: Engineering Sciences and Fundamentals