Open AccessJournal Article
Correlations between 17O NMR parameters and local structure around oxygen in high-pressure silicates: Implications for the structure of silicate melts at high pressure
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This article is published in American Mineralogist.The article was published on 1994-02-01 and is currently open access. It has received 103 citations till now. The article focuses on the topics: Magic angle & Silicate.read more
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NMR evidence for excess non-bridging oxygen in an aluminosilicate glass
Jonathan F. Stebbins,Zhi Xu +1 more
TL;DR: In this paper, the relative abundance of these weakly bonded NBOs is determined in determining the thermodynamic and dynamical properties of aluminosilicate glasses and melts, and the results require a reassessment of the high-temperature liquid properties that control many processes in the Earth and in industry.
Journal ArticleDOI
A computer simulation study of natural silicate melts. Part I: Low pressure properties
Bertrand Guillot,Nicolas Sator +1 more
TL;DR: In this paper, a simple interionic potential developed to describe the nine component system K2O-Na2O−CaO−MgO−FeO-Fe3−Al2O3−TiO2-SiO2 (KNCMFATS) was implemented into a molecular dynamics simulation code and a key feature of the simulation is to make the link between macroscopic properties of the melt and its microscopic structure and dynamics.
Journal ArticleDOI
First-Principles Calculation of 17O, 29Si, and 23Na NMR Spectra of Sodium Silicate Crystals and Glasses
TL;DR: In this paper, first-principles calculations of nuclear magnetic resonance (NMR) parameters: the chemical shielding tensor and the electric field gradient tensor, were performed using the recently introduced gauge including projector augmented wave (GIPAW) method, which was especially devised for periodic systems.
Journal ArticleDOI
Nature of cation mixing and ordering in Na-Ca silicate glasses and melts
TL;DR: In this article, 17O magic angle spinning (MAS) and triplication was used to model the mixed cation effect in soda-lime silicate glass and melts with varying composition.
Journal ArticleDOI
Nature of polymerization and properties of silicate melts and glasses at high pressure
TL;DR: In this article, the authors explored the structure of sodium silicate and aluminosilicate glasses quenched from melts at high pressure (6-10 GPa) with varying degrees of polymerization (fraction of nonbridging oxygen) using solid-state NMR [17O and 27Al triple-quantum magic-angle spinning (3QMAS) NMR].
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