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The temperature dependence of the thermal conductivity is linked to the nature of the energy transport at a frequency ω , which is quantified by thermal diffusivity d ( ω ). Here we study d ( ω ) for a poorly annealed glass and a highly stable glass prepared using the swap Monte Carlo algorithm. To calculate d ( ω ), we excite wave packets and find that the energy moves diffusively for high frequencies up to a maximum frequency, beyond which the energy stays localized. At intermediate frequencies, we find a linear increase of the square of the width of the wave packet with time, which allows for a robust calculation of d ( ω ), but the wave packet is no longer well described by a Gaussian as for high frequencies. In this intermediate regime, there is a transition from a nearly frequency independent thermal diffusivity at high frequencies to d ( ω ) ∼ ω −4 at low frequencies. For low frequencies the sound waves are responsible for energy transport and the energy moves ballistically. The low frequency behavior can be predicted using sound attenuation coefficients.
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Microscopic analysis of sound attenuation in low-temperature amorphous solids reveals quantitative importance of non-affine effects
Sound attenuation in low-temperature amorphous solids originates from their disordered structure. However, its detailed mechanism is still being debated. Here, we analyze sound attenuation starting directly from the microscopic equations of motion. We derive an exact expression for the zero-temperature sound damping coefficient. We verify that the sound damping coefficients calculated from our expression agree very well with results from independent simulations of sound attenuation. Small wavevector analysis of our expression shows that sound attenuation is primarily determined by the non-affine displacements’ contribution to the sound wave propagation coefficient coming from the frequency shell of the sound wave. Our expression involves only quantities that pertain to solids’ static configurations. It can be used to evaluate the low-temperature sound damping coefficients without directly simulating sound attenuation.
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- Award ID(s):
- 1800282
- PAR ID:
- 10374266
- Date Published:
- Journal Name:
- The Journal of Chemical Physics
- Volume:
- 156
- Issue:
- 14
- ISSN:
- 0021-9606
- Page Range / eLocation ID:
- 144502
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1063/5.0085199
