Student Work

Spherical harmonic and wavelet analysis of molecular dynamics

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In this study, Molecular Dynamics simulations were conducted to study the orientational properties of supercooled liquids and glasses. We applied spherical harmonics, spherical invariants, and wavelets to liquid. We proposed the first spherical harmonic-momentum Y1P and second spherical harmonic-kinetic energy Y2K time correlation functions, and wavelet decompositions of spherical invariant quantities. Y1P and Y2K showed characteristics behavior and temperature dependences. Wavelet analysis also showed temperature dependence.

  • 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
Publisher
Identifier
  • 03D080M
Advisor
Year
  • 2003
Date created
  • 2003-01-01
Resource type
Major
Rights statement
Last modified
  • 2021-10-11

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