Mechanical spectroscopy, i.e. cyclic deformations at varying frequencies, is
used theoretically and numerically to measure dissipation in model glasses.
From a normal mode analysis, we show that in the high-frequency THz regime
where dissipation is harmonic, the quality factor (or loss angle) can be
expressed analytically. This expression is validated through non-equilibrium
molecular dynamics simulations applied to a model of amorphous silica
(SiO$_2$). Dissipation is shown to arise from non-affine relaxations triggered
by the applied strain through the excitation of vibrational eigenmodes that act
as damped harmonic oscillators. We discuss an asymmetry vector field, which
encodes the information about the structural origin of dissipation measured by
mechanical spectroscopy. In the particular case of silica, we find that the
motion of oxygen atoms, which induce a deformation of Si-O-Si bonds is the main
contributor to harmonic energy dissipation.Comment: 12 pages, 10 figure
We use atomistic simulations to study the resonant acoustic modes and compare different calculations of the acoustic mean-free path in amorphous systems with nanometric crystalline spherical inclusions. We show that the resonant acoustic properties are not a simple combination of the vibrations in the inclusions and in the amorphous matrix. The presence of the inclusion affects the transport properties mainly in the frequency range separating simple scattering from multiple scattering processes. However, propagation of acoustic wavepackets is spatially heterogeneous and shows that the amorphous/crystalline interface acts as a low energy pass filter slowing down the high kinetic energy motion whatever the vibration frequency. These heterogeneities cannot be catched by the mean free path, but still they must play an important role in thermal transport, thus raising the question of the correct modeling of thermal transport in composite systems.
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