Related papers: Permanently densified SiO$_2$ glasses: a structura…
The influence of thermal processing on the potential energy, atomic structure, and mechanical properties of metallic glasses is examined using molecular dynamics simulations. We study the three-dimensional binary mixture, which was first…
A full understanding of glasses requires an accurate atomistic picture of the complex activated processes that constitute the low-temperature dynamics of these materials. To this end, we generate over five thousand activated events in…
The effect of ring stiffness and pressure on the glassy dynamics of a thermal assembly of two-dimensional ring polymers is investigated using extensive coarse-grained molecular dynamics simulations. In all cases, dynamical slowing down is…
The thermal conductivity of some orientational glasses of protonated C2H5OH and deuterated C2D5OD ethanol, cyclic substances (cyclohexanol C6H11OH, cyanocyclohexane C6H11CN, cyclohexene C6H10), and freon 112 (CFCl2)2 have been analyzed in…
The usefulness of glasses, and particularly of metallic glasses, in technological applications is often limited by their toughness, which is defined as the area under the stress vs. strain curve before plastic yielding. Recently toughness…
We study by Molecular Dynamics simulation a dense one-component system of particles confined on a spherical substrate. We more specifically investigate the evolution of the structural and dynamical properties of the system when changing the…
Understanding, predicting and eventually improving the resistance to fracture of silicate materials is of primary importance to design new glasses that would be tougher, while retaining their transparency. However, the atomic mechanism of…
The magnitude of the high frequency, static dielectric permittivity is used to determine the density of tetramethyl tetraphenyl trisiloxane, a non-associated glass-forming liquid, as a function of temperature and pressure. We demonstrate…
We use extensive classical molecular dynamics simulations to calculate the thermal conductivity of a model silica glass. Apart from the potential parameters, this is done with no other adjustable quantity and the standard equations of heat…
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 the optical and mechanical properties of high-Q fused silica microtoroidal resonators at cryogenic temperatures (down to 1.6 K). A thermally induced optical multistability is observed and theoretically described; it serves to…
Glasses are nonequilibrium solids with properties highly dependent on their method of preparation. In vapor-deposited molecular glasses, structural organization could be readily tuned with deposition rate and substrate temperature. Herein,…
Broadband dielectric spectroscopy was used to study the molecular orientational dynamics of the glass-forming, thioether-linked cyanobiphenyl liquid crystal dimers. As was expected theoretically, two different relaxation processes that…
The high-pressure dynamics of a computer-modeled silica melt is studied in the framework of the mode-coupling theory of the glass transition (MCT) using static-structure input from molecular-dynamics (MD) computer simulation. The theory…
Damped Lyman-$\alpha$ absorbers (DLAs) with molecular hydrogen have been probed in detail through both spectroscopic observations and numerical modelling. However, such H$_2$ absorbers are quite sparse at very high redshifts. We identify…
By means of molecular dynamics simulations and the Voronoi tessellation, we study the influence of the history on the low temperature characteristics of soft sphere and silica glasses. The quench from the liquid is interrupted at an…
Simulations are used to examine the microscopic origins of strain hardening in polymer glasses. While stress-strain curves for a wide range of temperature can be fit to the functional form predicted by entropic network models, many other…
The crystal structure of CO2 filled pure SiO2 LTA zeolite has been studied at high pressures and temperatures using synchrotron based x ray powder diffraction. Its structure consists of 13 CO2 guest molecules, 12 of them accommodated in the…
We vary the amplitude of the long-range Coulomb forces within a classical potential describing a model silica glass and study the consequences on the structure and dynamics of the glass, via molecular dynamics simulations. This model allows…
The dynamic slowdown in glass-forming liquids remains a central topic in condensed matter science. Here, we report a theoretical investigation of the microscopic origin of the slowdown in amorphous silica, a prototypical strong glass former…