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Detecting low-energy quasilocalized excitations in computer glasses.

David Richard1, Geert Kapteijns2, Edan Lerner2

  • 1Univ. Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France.

Physical Review. E
|November 18, 2023
PubMed
Summary

A new algorithm efficiently detects soft, quasilocalized excitations (QLEs) in computer glasses. This computational tool overcomes limitations of traditional methods, enabling deeper study of QLEs

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Computational Physics

Background:

  • Soft, quasilocalized excitations (QLEs) are fundamental to understanding disordered solids and glass physics.
  • Existing computational methods struggle to isolate QLEs from phononic excitations, hindering statistical mechanics studies.
  • Key properties like QLE abundance and frequencies remain unclear due to hybridization issues.

Purpose of the Study:

  • To develop an efficient computational algorithm for detecting QLEs in structural computer glasses.
  • To provide a tool for studying the statistical mechanics of QLEs.
  • To overcome limitations of conventional harmonic analyses in disordered systems.

Main Methods:

  • An efficient algorithm is presented to identify and characterize QLEs within computer-generated glass samples.
  • The algorithm takes a glass sample as input and outputs a library of embedded QLEs.
  • The method is validated by analyzing QLE spectra in 2D computer glasses.

Main Results:

  • The algorithm successfully detects QLEs in computer glasses, providing a library of these excitations.
  • The study reports the spectrum of glassy excitations in 2D glasses with varying mechanical stability.
  • The new method overcomes phonon hybridization issues that plague conventional analyses.

Conclusions:

  • The developed algorithm is a powerful tool for studying QLEs in disordered solids.
  • This work opens new avenues for investigating the micromechanical properties and statistical mechanics of glasses.
  • Future research can leverage this algorithm to explore complex phenomena in glass physics.