Related papers: The Dynamics of Supercooled Silica: Acoustic modes…
We present the results of extensive molecular dynamics computer simulations in which the high frequency dynamics of silica, nu>0.5 THz, is investigated in the viscous liquid state as well as in the glass state. We characterize the…
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…
Many theories predict a quartic acoustic attenuation increase at sub-THz frequencies in glassy media for the excess vibrational modes known as the boson peak anomaly. Here by introducing phase-sensitive acoustic spectroscopy techniques with…
We perform classical molecular-dynamics simulation to study the effect of densification on the vibrational spectrum of a model silica glass. We concentrate this study on the so-called Boson peak and compare our results, obtained from a…
We present a numerical simulation study of the density-dependence (rho = 2.2 - 4.0 g/cm^3) of the high-energy collective dynamics in vitreous silica at mesoscopic wavevectors (Q = 1 - 18 nm^-1). The density-dependence of the longitudinal…
We study, analytically and numerically, an off-lattice model of scalar harmonic vibrations for structural glasses. The model has a Boson-Peak which we argue can be considered as a prototype for materials with a Boson Peak frequency that…
The boson peak is an excess in the phonon density of states relative to the Debye Model, which occurs at frequencies below the Debye limit. It is present in most amorphous materials and, as was recently shown, can sometimes be found also in…
We perform extensive molecular dynamics simulations of the TIP4P/2005 model of water to investigate the origin of the Boson peak reported in experiments on supercooled water in nanoconfined pores, and in hydration water around proteins. We…
We use molecular dynamics computer simulations to calculate the frequency dependence of the specific heat of a SiO_2 melt. The ions interact with the BKS potential and the simulations are done in the NVE ensemble. We find that the frequency…
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…
The lattice dynamics of the silica polymorph {\alpha}-cristobalite has been investigated by a combination of diffuse and inelastic x-ray scattering and ab initio lattice dynamics calculations. Phonon dispersion relations and vibrational…
Bulk glasses exhibit extra vibrational modes at low energies, known as the boson peak. The microscopic dynamics in nanoscale alumina impact the performance of qubits and other superconducting devices, however the existence of the boson peak…
The vibrational properties of model amorphous materials are studied by combining complete analysis of the vibration modes, dynamical structure factor and energy diffusivity with exact diagonalization of the dynamical matrix and the Kernel…
We investigate to what extent the specific heat of amorphous silica can be calculated within the harmonic approximation. For this we use molecular dynamics computer simulations to calculate, for a simple silica model (the BKS potential),…
The structural and dynamic properties of silica melts under high pressure are studied using molecular dynamics (MD) computer simulation. The interactions between the ions are modeled by a pairwise-additive potential, the so-called CHIK…
The inelastic scattering intensities of glasses and amorphous materials has a maximum at a low frequency, the so called Boson peak. Under applied hydrostatic pressure, $P$, the Boson peak frequency, $\omega_{\rm b}$, is shifted upwards. We…
The position and strength of the boson peak in silica glass vary considerably with temperature $T$. Such variations cannot be explained solely with changes in the Debye energy. New Brillouin scattering measurements are presented which allow…
The vibrational density of states of silicon nanoparticles in the range from 2.3 to 10.3 nm is studied with the help of molecular-dynamics simulations. From these simulations the vibrational density of states and frequencies of bulk-like…
We analyze results for the Boson Peak from the neutron time of flight spectroscopy data on Ge-As-Se, and Raman spectra data on m-TCP and OTP, using a recent mode coupling model that takes into account the coupling of density fluctuations…
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…