Related papers: The static structure factor of amorphous silicon a…
Sequentially-built random sphere-packings have been numerically studied in the packing fraction interval $0.329 < \gamma < 0.586$. For that purpose fast running geometrical algorithms have been designed in order to build about 300…
We study the spectral width as a function of the external momentum for the dynamical structure factor of a disordered harmonic solid, considered as a toy model for supercooled liquids and glasses. Both in the context of single-link coherent…
The effect of finite temperature $T$ and finite strain rate $\dot\gamma$ on the statistical physics of plastic deformations in amorphous solids made of $N$ particles is investigated. We recognize three regimes of temperature where the…
Liquids generally become more ordered upon cooling. However, it has been a long-standing debate on whether such structural ordering in liquid water takes place continuously or discontinuosly: continuum vs. mixture models. Here, by computer…
Inelastic neutron scattering measurements have been performed on single crystals of the heavy fermion compound Ce$_{0.925}$La$_{0.075}$Ru$_{2}$Si$_{2}$ in broad energy [0.1, 9.5 meV] and temperature [40 mK, 294 K] ranges in order to address…
We study theoretically and numerically a family of multi-point dynamic susceptibilities that quantify the strength and characteristic lengthscales of dynamic heterogeneities in glass-forming materials. We use general theoretical arguments…
Amorphous silica ($a-SiO_2$) is a widely used inorganic material. Interestingly, the relationship between the local atomic structures of $a-SiO_2$ and their effects on ductility and fracture is seldom explored. Here, we combine large-scale…
We present the results of a large scale computer simulation of supercooled silica. We find that at high temperatures the diffusion constants show a non-Arrhenius temperature dependence whereas at low temperature this dependence is also…
We present a computationally efficient method to calculate the configurational entropy of network-forming materials. The method requires only the atomic coordinates and bonds of a single well-relaxed configuration. This is in contrast to…
We calculate the dynamic structure factor S(k,omega) of liquid Ge (l-Ge) at temperature T = 1250 K, and of amorphous Ge (a-Ge) at T = 300 K, using ab initio molecular dynamics. The electronic energy is computed using density-functional…
After the EMC and subsequent experiments at CERN, SLAC and DESY on the deep inelastic scattering of polarized leptons on polarized nucleons, it is now established that the Q^2=0 value of the axial strange form factor of the nucleon, a…
The structural relaxation of amorphous materials is described as arising from the superposition of elementary processes with varying activation energies. We show that it is possible to obtain the kinetic parameters of these processes from…
It is known by now that amorphous solids at zero temperature do not possess a nonlinear elasticity theory: besides the shear modulus which exists, all the higher order coefficients do not exist in the thermodynamic limit. Here we show that…
Using molecular dynamics simulation, we study structural and dynamical heterogeneities at melting in two-dimensional one-component systems with 36000 particles. Between crystal and liquid we find intermediate hexatic states, where the…
An exact analytical expression for the static structure factor $S(k)$ in disordered materials is derived from Fourier transformed neighbor distribution decompositions in real space, and permits to reconstruct the function $S(k)$ in an…
We investigate the structure and dynamics of sodium disilicate by means of molecular dynamics computer simulation. We show that the structure is described by a partially destroyed tetrahedral SiO_4 network and a spherical super structure…
Inelastic x-ray scattering and Brillouin light scattering measurements of the dynamic structure factor of liquid hydrogen fluoride have been performed in the temperature range$ T=214\div 283 K$. The data, analysed using a viscoelastic model…
We have performed small-angle light-scattering measurements of the static structure factor of a critical binary mixture undergoing diffusive partial remixing. An uncommon scattering geometry integrates the structure factor over the sample…
We have constructed an approximate microscopic model for the neutron dynamic structure factor of solid methane in phase II. We expect our model to apply for neutron energies below 1\textit{eV} at pressures near 1 bar and temperatures below…
We present a novel approach for parameter-free modeling of the structural, dynamical and electronic properties of non-crystalline materials based on ab-initio Molecular Dynamics, improved signal processing technique and computer…