Iannacchione, Germano S.
We study the structure of a binary supercooled Lennard-Jones system with molecular dynamics simulations. To determine the structural characteristics of supercooled liquids, we compute spherical harmonic invariants of atomic configurations as introduced by Steinhardt, et al. and extended by Phillies and Whitford. We introduce a technique of plotting "two-harmonic distributions", which are distributions of configurations sorted according to two different invariants, and discuss their interpretation. We find that these distributions reveal "tails" that are indicative of icosahedral order.
Worcester Polytechnic Institute
Major Qualifying Project
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