Due to the absence of microstructure and virtually infinite compositional versatility, glassy
materials are perfect candidates for rational methods to predict structure-property …

Silicate glasses have evolved from basic structural materials to enabling materials for
advanced applications. In this article, we unravel the origin of the mixed alkali effect for alkali …

We have applied the bond-valence technique to reverse Monte Carlo produced structural
models of mixed alkali phosphate glasses in order to elucidate the mixed alkali effect (MAE) …

This study experimentally investigates the isotopic behaviors of Li and K during the
dissolution of silicate rocks (ie, basalt and granite). Proton-driven dissolution (in 0.8 M HNO …

Molecular dynamics simulations and energy-minimization techniques have been applied for
the first time to determine the whole set of elastic properties (Young's modulus, shear …

Silica-based glasses are of great importance in various technological fields ranging from
fiber optic wave guides, laser optics for initiating fusion reactions, to containers for …

The compositional dependence of the first sharp diffraction peaks (FSDPs) of lithium, sodium
and potassium silicate glasses were studied by calculating the neutron static structure …

Glasses are widely used as analogues for the study of silicate melts. Although they are solid
materials, their structure is inherently complex and difficult to study. However, progress has …

In this paper, the self-consistent PMMCS force fields (FFs)[Pedone et al., J. Phys. Chem. B
110, 11780 (2006) 10.1021/jp0611018] widely used for the simulation of a large variety of …

Molecular dynamics simulation was applied to elucidate the effect of adding alkali oxides (M
2 O) X (SiO 2)(1− X) with M=(Na, Li or K) into silicate glass matrix. We are interested in the …