DOI: 10.5061/dryad.cz8w9gjd8
title: Data from: The origin of sound damping in amorphous solids: Defects and beyond

description: Comprehending sound damping is integral to understanding the anomalous low
 temperature properties of glasses. After decades of theoretical and
 experimental studies, Rayleigh scattering scaling of the sound attenuation
 coefficient with frequency Γ∼ωd+1, became generally accepted when quantum
 and finite temperature effects can be neglected. Rayleigh scaling invokes
 a picture of scattering from defects. However, it is unclear how to define
 glass defects, or even if defects are necessary for Rayleigh scaling. Here
 we determine a particle level contribution to sound damping in the
 Rayleigh scaling regime. We find that there are areas in the glass that
 contribute more to sound damping than other areas over a range of
 frequencies, which allows us to define defects. We show that over a range
 of glass stability, sound damping scales linearly with the fraction of
 particles in the defects. However, sound is still attenuated in
 ultra-stable glasses where no defects are identified. We show that sound
 damping in these glasses is due to nearly uniformly distributed non-affine
 microscopic forces that arise after macroscopic deformations of
 non-centrosymetric structures. To fully understand sound attenuation in
 glasses, one has to consider contributions from defects and a defect-free
 background, which represents a new paradigm of sound damping in glasses.
description: These data were computed from simulations of a model glass
 forming liquid. The simulated systems were quenched to their nearest
 potential energy minimum, an inherent structure. We calculated the
 eigenvalues and eigenvectors of the Hessian matrix that was calculated at
 the inherent structure. These eigenvalues and eigenvectors were used to
 calculate sound attenuation using a microscopic theory. The theory was
 compared to sound attenuation calculated using harmonic simulations of the
 same glasses.  The inherent structures were found using
 LAMMPS simulation code. The eigenvalues and eigenvectors were determined
 using ARPACK. The calculation of the Hessian matrix and sound attenuation
 from the microscopic theory was determined from in in-house code. The
 simulations used to determine sound attenuation were performed using
 in-house code.
description: # Data for The Origin of Sound Damping in Amorphous Solids: Defects and
 Beyond
 [https://doi.org/10.5061/dryad.cz8w9gjd8](https://doi.org/10.5061/dryad.cz8w9gjd8) ## Description of the data and file structure All the data was created using simulation and C/C++ code. SWAP Monte Carlo simulations were performed to equilibrate liquids at a parent temperature. The liquids were then quenched to their nearest potential energy minimum, i.e. an inherent structure, using LAMMPS. The eigenvalues and eigenvectors of the Hessian matrix calculated at the inherent structures were calculated using ARPACK. These eigenvalues and eigenvectors were used to calculate sound damping using a microscopic theory. The microscopic theory is compared to harmonic simulations of sound damping.  ### Files and variables #### File: B3pw\.txt **Description:** The plane wave calculation of sound damping as a function of parent temperature.  **Variables** * T_p: The parent temperature * B3pw: The Rayleigh scaling coefficient to sound damping found using the plane wave approximation described in the paper. #### File: B3.txt **Description:** Parameters describing sound damping.  ##### Variables * T_p: The parent temperature * B3: The Rayleigh scaling coefficient to sound damping found from harmonic approximation and fits to Gamma = B3 omega^3. * delta: The uncertainty in B3.  #### File: damping.txt **Description:** Sound damping calculated in the harmonic approximation. ##### Variables * omega: Frequency of the sound wave. * Gamma: Damping coefficient at frequency omega. * There are six columns, the first two are for Tp = 0.030, the third and fourth are for Tp = 0.101, and the fifth and sixth are for Tp = 0.200. #### File: epsilon0p030.txt **Description:** Contribution to sound damping calculated from the microscopic theory due to the eigenvector at a frequency omega for the parent temperature 0.030.  ##### Variables * omega: Frequency of the eigenvector (square root of the eigenvalue). * epsilon: Contribution to sound damping calculated from the microscopic theory. #### File: epsilon0p101.txt **Description:** Contribution to sound damping calculated from the microscopic theory due to the eigenvector at a frequency omega for the parent temperature 0.101.  ##### Variables * omega: Frequency of the eigenvector (square root of the eigenvalue). * epsilon: Contribution to sound damping calculated from the microscopic theory. #### File: epsilon0p200.txt **Description:** Contribution to sound damping calculated from the microscopic theory due to the eigenvector at a frequency omega for the parent temperature 0.200.  ##### Variables * omega: Frequency of the eigenvector (square root of the eigenvalue). * epsilon: Contribution to sound damping calculated from the microscopic theory. #### File: defectdensity.txt **Description:** The density of defects as a function of parent temperature where the definition of the defect is given in the main text. **Variables** * T_p: The parent temperature. * defect density: The density of defects. * delta defect density: The uncertainty in the defect density. ## Code/software All the data are stored in a text file, so all that is needed is a text editor.