The Dynamics of Supercooled Silica: Acoustic modes and Boson peak

TL;DR

This study uses molecular dynamics simulations to explore the vibrational dynamics of supercooled silica, revealing agreement with experimental dispersion relations and identifying the wave-vector where the boson peak is maximized.

Contribution

It provides detailed simulation-based insights into the acoustic modes and boson peak behavior in supercooled silica, aligning with experimental observations.

Findings

Good agreement with experimental dispersion relations at small wave-vectors

Maximum boson peak observed at around 0.39 Å^{-1}

Frequency range 0.5-20 THz analyzed

Abstract

Using molecular dynamics computer simulations we investigate the dynamics of supercooled silica in the frequency range 0.5-20~THz and the wave-vector range 0.13-1.1\AA^{-1}. We find that for small wave-vectors the dispersion relations are in very good agreement with the ones found in experiments and that the frequency at which the boson-peak is observed shows a maximum at around 0.39\AA^{-1}.