Data from: The origin of sound damping in amorphous solids: Defects and beyond
Data files
Mar 10, 2025 version files 1.96 MB
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B3.txt
144 B
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B3pw.txt
255 B
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damping.txt
1.68 KB
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defectdensity.txt
202 B
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epsilon0p030.txt
648.45 KB
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epsilon0p101.txt
662.16 KB
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epsilon0p200.txt
642.54 KB
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README.md
3.25 KB
Abstract
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.
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.
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.