The dynamics of supercooled silica: acoustic modes and boson peak

  title={The dynamics of supercooled silica: acoustic modes and boson peak},
  author={Juergen Horbach and Walter Kob and Kurt Binder},
  journal={Journal of Non-crystalline Solids},
Determination of the Ioffe-Regel limit for vibrational excitations in disordered materials
Abstract A theoretical analysis nas been made, in terms of the spectral density, of plane-wave vibrational modes propagating in disordered solids. The Ioffe-Regel crossover freauency for vitreous
Anharmonic damping of terahertz acoustic waves in a network glass and its effect on the density of vibrational states.
It is shown that the temperature variation of the sound damping accounts quantitatively for the temperature dependence of the density of vibrational states.
ERRATUM: Vector vibrations and the Ioffe-Regel crossover in disordered lattices
The spectral density for vector vibrations in the face-centred cubic lattice with force-constant disorder is analysed within the coherent potential approximation. The phase diagram showing the weak-
Boson peak and terahertz frequency dynamics of vitreous silica
This paper describes the progress that has been made in the past decade in the investigation of the peculiar dynamic properties of vitreous silica (v-SiO2) and related glasses in the terahertz (THz)
Clusters in colloidal systems.
We study the dynamical properties of a model for charged colloidal particles, performing molecular dynamics simulations and observing the behavior of bond persistence functions, self-intermediate
Computer Simulations of Supercooled Liquids and Glasses
After a brief introduction to the dynamics of supercooled liquids, we discuss some of the advantages and drawbacks of computer simulations of such systems. Subsequently we present the results of
Computer simulation of molten silica and related glass forming fluids: recent progress
The structure and dynamics of glass forming fluids are accessible in atomistic detail through molecular dynamics simulation. Although for molten silica and its mixtures with oxides of sodium,
Dynamics in the Glassy State and Near the Glass Transition of Amorphous Polymers as Studied by Neutron Scattering
This review covers the recent progress of studies on dynamics in the glassy states and near the glass transition of amorphous polymers as revealed by inelastic and quasielastic neutron scattering,
Numerical Study of the Structural and Thermal Properties of Vitreous Silica
Abstract We use classical molecular dynamics simulations to study both the structural modifications through the glass transition and the thermal conductivity k of a model silica glass. The first part
Light Scattering from Molten Salts: Structure and Dynamics
Much of our knowledge about structure and dynamics in solids, liquids or gasses comes from the interaction (scattering) between externally imposed stimuli and the system under study. Light has proved


We report a molecular dynamics simulation study of the sound waves in vitreous silica in the mesoscopic exchanged momentum range. The calculated dynamical structure factors are in quantitative
Phonons in vitreous silica: Dispersion and localization
A numerical vibrational-mode analysis has been performed for structural models of vitreous silica constructed using molecular dynamics. Dispersion curves, associated with remnants of phonon-like
Finite size effects in simulations of glass dynamics.
  • Horbach, Kob, Binder, Angell
  • Physics
    Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
  • 1996
It is shown that in simulations of the dynamics of this strong glass former surprisingly large finite size effects are present, and it is demonstrated that the relaxation times of the incoherent intermediate scattering function and the time dependence of the mean squared displacement are affected.
Investigating the cooling rate dependence of amorphous silica: A computer simulation study
We use molecular dynamics computer simulations to study the dependence of the properties of amorphous silica on the cooling rate with which the glass has been produced. In particular we show that the
Force fields for silicas and aluminophosphates based on ab initio calculations.
A force field based on both microscopic and macroscopic data is derived, which combines accuracy with transferability to other polymorphs and the possibility of parametrizing other elements is demonstrated.
Cooling-rate effects in amorphous silica: A computer-simulation study.
Using molecular-dynamics computer simulations, it is demonstrated that the cooling-rate dependence of microscopic quantities is significantly more pronounced than the one of macroscopic properties, thus demonstrating that the used potential is a good model for silica glass.