Related papers: Vibrational states and disorder in continuously co…
The role of porous structure and glass density in response to compressive deformation of amorphous materials is investigated via molecular dynamics simulations. The disordered, porous structures were prepared by quenching a high-temperature…
In amorphous solids, the vibrational density of states shows an excess of modes over the Debye model, known as the boson peak, whose origin remains unclear. Studies suggest a link to quasi-localized nonphononic vibrations or 'defects,' but…
The gravito-inertial waves propagating over a shellular baroclinic flow inside a rotating spherical shell are analysed using the Boussinesq approximation. The wave properties are examined by computing paths of characteristics in the…
We study numerically and analytically a simple off-lattice model of scalar harmonic vibrations by means of Euclidean random matrix theory. Since the spectrum of this model shares the most puzzling spectral features with the high-frequency…
The low-temperature thermal properties of dielectric crystals are governed by acoustic excitations with large wavelengths that are well described by plane waves. This is the Debye model, which rests on the assumption that the medium is an…
We estimate numerically the normal modes of the free energy in a glass of hard discs. We observe that, near the glass transition or after a rapid quench deep in the glass phase, the density of states (i) is characteristic of a marginally…
We introduce an algorithm that constructs disordered mass-spring networks whose elastic properties mimic that of glasses by tuning the fluctuations of the local elastic properties, keeping fixed connectivity and controlling the prestress.…
We consider a system of coupled classical harmonic oscillators with spatially fluctuating nearest-neighbor force constants on a simple cubic lattice. The model is solved both by numerically diagonalizing the Hamiltonian and by applying the…
Performing molecular dynamics simulations, we find that the structural relaxation dynamics of viscous silica, the prototype of a strong glass former, are spatially heterogeneous and cannot be understood as a statistical bond breaking…
Glasses are structurally liquid-like, but mechanically solid-like. Most attempts to understand glasses start from liquid state theory. Here we take the opposite point of view, and use concepts from solid state physics. We determine the…
It has been recognized in the literature that some physical properties of hydrated biomolecules, e.g., the occurrence of Boson peak, resembles of those of glassy state. In the present work is shown that quantum fluctuations play a…
In crystals, molecules thermally vibrate around the periodic lattice sites. Vibrational motions are well understood in terms of phonons, which carry heat and control heat transport. The situation is notably different in disordered solids,…
The sample dependence of various properties of hydrogenated amorphous silicon ($a$-Si:H) have been studied with 216 silicon atoms and 24 hydrogen atoms using the density functional based tight binding molecular dynamics simulations. The…
The conditions which determine whether a material behaves in a brittle or ductile fashion on mechanical loading are still elusive and comprise a topic of active research among materials physicists and engineers. In this study, we present…
We extend the model of exciton-plasmon materials to include a ro-vibrational structure of molecules using wave-packet propagations on electronic potential energy surfaces. The new model replaces conventional two-level emitters with more…
In glasses and other disordered materials, measurements of the vibrational density of states reveal that an excess number of long-wavelength (low-frequency) modes, as compared to the Debye scaling seen in crystalline materials, is…
New temperature dependent inelastic x-ray (IXS) and Raman (RS) scattering data are compared to each other and with existing inelastic neutron scattering data in vitreous silica (v-SiO_2), in the 300 - 1775 K region. The IXS data show…
Glasses have a large excess of low-frequency vibrational modes in comparison with most crystalline solids. We show that such a feature is a necessary consequence of the weak connectivity of the solid, and that the frequency of modes in…
We have performed an approximate ab initio calculation of vibrational properties of hydrogenated amorphous silicon (a-Si:H) using a molecular dynamics method. A 216 atom model for pure amorphous silicon (a-Si) has been employed as a…
We use \textit{ab initio} molecular dynamics simulations to investigate the properties of the dry surface of pure silica and sodium silicate glasses. The surface layers are defined based on the atomic distributions along the direction…