Related papers: Vibrational properties of the one-component $\sigm…
The vibrational properties of two-dimensional phononic crystals are studied with large-scale molecular dynamics simulations and finite element method calculation. The vibrational band structure derived from the molecular dynamics…
Atomic vibrations in perfect, slightly defective or mixed crystals are to a large extent well understood since many decades. Theoretical descriptions are thus in excellent agreement with the experiments. As a consequence, phonon-related…
We use a local projectional analysis method to investigate the effect of topological disorder on the vibrational dynamics in a model glass simulated by molecular dynamics. Evidence is presented that the vibrational eigenmodes in the glass…
The vibrational properties of three sodosilicate glasses have been investigated in the framework of Density Functional Theory. The pure vibrational density of states has been calculated for all systems and the different vibrational modes…
Glasses show vibrational properties that are markedly different to those of crystals which are known as phonons. For example, excess low-frequency modes (the so-called boson peak), vibrational localization, and strong scattering of phonons…
The unconventional thermal properties of jammed amorphous solids are directly related to their density of vibrational states. While the vibrational spectrum of jammed soft sphere solids has been fully described, the vibrational spectrum of…
We present in this paper a numerical study of the vibrational eigenvectors of a two-dimensional amorphous material, previously deeply studied from the point of view of mechanical properties and vibrational eigen-frequencies [7-10].…
We study statistical properties of vibrated granular monolayers using molecular dynamics simulations. We show that at high excitation strengths, the system is in a gas state, particle motion is isotropic, and the velocity distributions are…
The phonon spectra of solids, described through the measurable vibrational density of states (VDOS), provide a wealth of information about the underlying atomic structure and bonding, and they determine fundamental macroscopic properties…
We have determined the vibrational properties of a sodium tetrasilicate (Na$_{2}$Si$_{4}$O$_{9}$) glass model generated by molecular dynamics simulations. The study has been carried out using a classical valence force fields approach as…
Many systems, including polymers and molecular liquids, when adequately cooled and/or compressed, solidify into a disordered solid, i.e., a glass. The~transition is not abrupt, featuring progressive decrease of the microscopic mobility and…
We compare vibrational dynamics in two structurally distinct, simple monatomic model glasses simulated by molecular dynamics: the Lennard-Jones glass with an fcc-related structure and a glass with predominantly icosahedral short-range…
Low-frequency Raman and inelastic neutron scattering of amorphous bis-phenol A polycarbonate is measured at low temperature, and compared. The vibrational density of states and light-vibration coupling coefficient are determined. The…
Low-frequency vibrations of glassy and crystalline orthoterphenyl are studied by means of neutron scattering. Phonon dispersions are measured along the main axes of a single crystal, and the corresponding longitudinal and transversal sound…
The dynamics of a soft sphere model glass, studied by molecular dynamics, is investigated. The vibrational density of states divided by $\omega^2$ shows a pronounced boson peak. Its shape is in agreement with the universal form derived for…
We investigate a prominent vibrational feature in amorphous silica, the so-called boson peak, by means of molecular dynamics computer simulations. The dynamic structure factor S(q,nu) in the liquid, as well as in the glass state, scales…
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…
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…
We consider the contribution to the density of vibrational states and the distribution of energy barrier heights of incipient instabilities in a glass modeled by a jammed packing of spheres. On approaching an instability, the frequency of a…
We investigate the vibrational properties of VO2, particularly the low temperature M1 phase by first-principles calculations using the density functional theory as well as Raman spectroscopy. We perform the structural optimization using…