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.

• This report represents the work of one or more WPI undergraduate students submitted to the faculty as evidence of completion of a degree requirement. WPI routinely publishes these reports on its website without editorial or peer review.

Creator

• Schneeloch, John A

Publisher

• Worcester Polytechnic Institute

Identifier

• E-project-022708-020806

Advisor

• Iannacchione, Germano S.

Year

• 2008

Date created

• 2008-02-27

Resource type

• Major Qualifying Project

Major

• Physics

Rights statement

• In Copyright