The structure of soda-silica glasses: A mas NMR study

Dupree, R.; Holland, Diane; McMillan, P. W.; Pettifer, R. F.

doi:10.1016/0022-3093(84)90020-6

Cited by 187 publications

(56 citation statements)

References 14 publications

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“…This baseline was subtracted from the spectra which were then exported to Peakfitv4.12 software in order to calculate the area under the bands of interest. 29 Si NMR analysis of selected samples was undertaken using 29 Si NMR analysis was undertaken using a Varian Unity Inova 300. 0.5-1.0 grams of powdered samples were tested at the EPSRC National Solid State NMR service at the University of Durham, UK.…”

Section: Structural Analysismentioning

confidence: 99%

“…0.5-1.0 grams of powdered samples were tested at the EPSRC National Solid State NMR service at the University of Durham, UK. The chemical shifts of the 29 Si NMR spectra of the samples are referenced to tetramethylsilane (TMS). Pulse angle, acquisition time and resonance frequency were set to 45°, 40.00 ms and 59.557 MHz respectively.…”

Section: Structural Analysismentioning

confidence: 99%

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Mechanical properties of soda–lime–silica glasses with varying alkaline earth contents

Kilinc

Hand

2015

Journal of Non-Crystalline Solids

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Section: Structural Analysismentioning

confidence: 99%

Section: Structural Analysismentioning

confidence: 99%

Mechanical properties of soda–lime–silica glasses with varying alkaline earth contents

Kilinc

Hand

2015

Journal of Non-Crystalline Solids

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“…lithium). Inspection of a large body of chemical shift trends in various mixed-alkali glasses suggests that these structural readjustments are rather universal [59][60][61][62][63][64][65][66][67][68][69][70][71][72][73][74]: substitution of an alkali ion A by larger homologue B always leads to a slight compression of the A site and an expansion of the B site, compared to the situation in the corresponding single-alkali glass. Based on this evidence for site modification, we have suggested an additional ("secondary") mismatch effect as a fundamental principle underlying the MAE, which seems particularly relevant in the dilute foreign ion limit (see Fig.…”

Section: Site Modifications and Secondary Mismatch Effectsmentioning

confidence: 99%

Short and Medium Range Order in Ion-Conducting Glasses Studied by Modern Solid State NMR Techniques

Eckert¹

2010

Zeitschrift Für Physikalische Chemie

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Glass Structure / Solid State NMR Spectroscopy / Structure-Property RelationsGlassy ionic conductors have attained considerable importance in the solid state battery technology field. To understand the influence of composition on ionic mobility and transport, information about the local and dynamic environments of the mobile ions in glasses is required. Solid state NMR spectroscopy is one of the most powerful tools for addressing these questions. Our research effort in this area comprises (1) the development of efficient techniques and strategies for the study of disordered materials, (2) the detailed application of optimized measurement and data analysis protocols to different glass systems under systematic compositional variation, and (3) the comprehensive interpretation of the results obtained in the overall literature context. This article attempts to convey a concise overview of our contribution to this field over the period from 2004 to 2010, to describe the most significant insights obtained and to place them into the overall field of Solid State Ionics.

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“…The structure of the NS4 glass has been intensively investigated by different experimental methods [2], reverse Monte Carlo (RMC) [3] as well as classical molecular dynamics (MD) simulations [4,5]. Recently, the structural and electronic properties of the NS4 glass have been modeled by a combined Car-Parrinello and classical MD simulation [6,7].…”

Section: Introductionmentioning

confidence: 99%

Vibrational properties of a sodium tetrasilicate glass: Ab initio versus classical force fields

Ispas

Zotov

Wispelaere

et al. 2005

Journal of Non-Crystalline Solids

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We have determined the vibrational properties of a sodium tetrasilicate (Na 2 Si 4 O 9 ) glass model generated by molecular dynamics simulations. The study has been carried out using a classical valence force fields approach as well as an ab initio approach in the framework of the density functional theory. The total and partial vibrational densities of states (VDOS) are presented, as well as some characteristics of the vibrational modes (participation ratios, correlation lengths). For the low-frequency bands below 500 cm −1 , we find that the shapes of the two calculated VDOS as well as those of their corresponding partial VDOS are quite similar. For the intermediate-and high-frequency ranges, we observe larger discrepancies between the two calculations. Using the eigenmodes of the dynamical matrix we also calculate the polarized Raman spectra within the bond-polarizability approximation. We find an overall agreement between the calculated parallel polarized (VV) Raman spectra and the corresponding experimental spectrum. Regarding the perpendicular depolarized (VH) Raman spectrum, the comparison of the calculated spectra to the experimental data indicates a need for an adjustment of the VH bond-polarizability parameters.

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The structure of soda-silica glasses: A mas NMR study

Cited by 187 publications

References 14 publications

Mechanical properties of soda–lime–silica glasses with varying alkaline earth contents

Mechanical properties of soda–lime–silica glasses with varying alkaline earth contents

Short and Medium Range Order in Ion-Conducting Glasses Studied by Modern Solid State NMR Techniques

Vibrational properties of a sodium tetrasilicate glass: Ab initio versus classical force fields

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