Recent advances in corrosion science applicable to disposal of high-level nuclear waste
High-level radioactive waste is accumulating at temporary storage locations around the
world and will eventually be placed in deep geological repositories. The waste forms and …
world and will eventually be placed in deep geological repositories. The waste forms and …
[HTML][HTML] Interatomic potentials for oxide glasses: Past, present, and future
The continuous development and improvement of interatomic potential models for oxide
glasses have made classical molecular dynamics a powerful computational technique …
glasses have made classical molecular dynamics a powerful computational technique …
BO3/BO4 Intermixing in Borosilicate Glass Networks Probed by Double-Quantum 11B NMR: What Factors Govern BO4–BO4 Formation?
We examine the borate group intermixing in a series of 25 borosilicate (BS) glasses from the
[0.5 M (2) O–0.5 Na2O]–B2O3–SiO2 systems with M={Li, K, Rb, Mg, Ca} along with ternary …
[0.5 M (2) O–0.5 Na2O]–B2O3–SiO2 systems with M={Li, K, Rb, Mg, Ca} along with ternary …
[HTML][HTML] Impact of the cation field strength on physical properties and structures of alkali and alkaline-earth borosilicate glasses
The impact of the cation field strength (CFS) of the glass network-modifier cations on the
structure and properties of borosilicate glasses (BS) were examined for a large ensemble of …
structure and properties of borosilicate glasses (BS) were examined for a large ensemble of …
Structural origins of the mixed alkali effect in alkali aluminosilicate glasses: molecular dynamics study and its assessment
The comprehension of the nonlinear effects provided by mixed alkali effect (MAE) in oxide
glasses is useful to optimize glass compositions to achieve specific properties that depend …
glasses is useful to optimize glass compositions to achieve specific properties that depend …
Improved empirical force field for multicomponent oxide glasses and crystals
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 …
110, 11780 (2006) 10.1021/jp0611018] widely used for the simulation of a large variety of …
Structural role of sodium in borosilicate, phosphosilicate, and borophosphosilicate glasses unveiled by solid-state NMR and MD simulations
We present a comprehensive study of the Na environments in a large ensemble of 32
silicate-based glass compositions from the borosilicate, phosphosilicate, and …
silicate-based glass compositions from the borosilicate, phosphosilicate, and …
A comparative study of the effectiveness of empirical potentials for molecular dynamics simulations of borosilicate glasses
Despite their practical importance, atomistic modeling of B 2 O 3 containing glasses have
been challenging due to the lack of reliable empirical potentials. Fortunately, a few recent …
been challenging due to the lack of reliable empirical potentials. Fortunately, a few recent …
[HTML][HTML] Probing oxide-based glass structures by solid-state NMR: Opportunities and limitations
M Edén - Journal of Magnetic Resonance Open, 2023 - Elsevier
This Primer critically reviews the possibilities and limitations of probing the short-range
structure of an oxide-based glass by routine magic-angle spinning (MAS) or triple-quantum …
structure of an oxide-based glass by routine magic-angle spinning (MAS) or triple-quantum …
Effect of modifier cation field strength on the structures of magnesium oxide containing aluminoborosilicate glasses
Network glass structures are commonly characterized by the network formers and their
linkage but modifiers can also play an important role on various features of glass structures …
linkage but modifiers can also play an important role on various features of glass structures …