On the glass transition temperature in covalent glasses

We give a simple demonstration of the formula relating the glass transition temperature, $T_g$, to the molar concentration $x$ of a modifier in two types of glasses: binary glasses, whose composition can be denoted by $X_nY_m+xM_pY_q$, with ^$X$ an element of III-rd or IV-th group (e.g. B, or Si, Ge), while $M_pY_q$ is an alkali oxide or chalcogenide; next, the network glasses of the type $A_xB_{1-x}$, e.g. $Ge_xSe_{1-x}$, $Si_xTe_{1-x}$, etc. After comparison, this formula gives an exact expression of the parameter $\beta$ of the modified Gibbs-Di Marzio equation.Comment: 15 pages, LateX; ([email protected]), ([email protected]

Angular rigidity in tetrahedral network glasses

A set of oxide and chalcogenide tetrahedral glasses are investigated using molecular dynamics simulations. It is shown that unlike stoichiometric selenides such as GeSe$_2$ and SiSe$_2$, germania and silica display large standard deviations in the associated bond angle distributions. Within bond-bending constraints theory, this pattern can be interpreted as a manifestation of {\it {broken}} (i.e. ineffective) oxygen bond-bending constraints. The same analysis reveals that the changes in the Ge composition affects mostly bending around germanium in binary Ge-Se systems, leaving Se-centred bending almost unchanged. In contrast, the corresponding Se twisting (quantified by the dihedral angle) depends on the Ge composition and is reduced when the system becomes rigid. Our results establishes the atomic-scale foundations of the phenomelogical rigidity theory, thereby profoundly extending its significance and impact on the structural description of network glasses.Comment: 5 pages, 4 figure

Rigidity transitions and constraint counting in amorphous networks: beyond the mean-field approach

Subj-class: Disordered Systems and Neural NetworksComment: 12 pages, revtex, 3 figure

Viscosity and viscosity anomalies of model silicates and magmas: a numerical investigation

We present results for transport properties (diffusion and viscosity) using computer simulations. Focus is made on a densified binary sodium disilicate 2SiO$_2$-Na$_2$O (NS2) liquid and on multicomponent magmatic liquids (MORB, basalt). In the NS2 liquid, results show that a certain number of anomalies appear when the system is densified: the usual diffusivity maxima/minima is found for the network-forming ions (Si,O) whereas the sodium atom displays three distinct r\'egimes for diffusion. Some of these features can be correlated with the obtained viscosity anomaly under pressure, the latter being be fairly well reproduced from the simulated diffusion constant. In model magmas (MORB liquid), we find a plateau followed by a continuous increase of the viscosity with pressure. Finally, having computed both diffusion and viscosity independently, we can discuss the validity of the Eyring equation for viscosity which relates diffusion and viscosity. It is shown that it can be considered as valid in melts with a high viscosity. On the overall, these results highlight the difficulty of establishing a firm relationship between dynamics, structure and thermodynamics in complex liquids.Comment: 13 pages, 8 figure