A study of SiO2 glass and supercooled liquid to 1950 K via high-temperature Raman spectroscopy

McMillan, Paul F.; Poe, Brent T.; Gillet, Philippe; Reynard, Bruno

doi:10.1016/0016-7037(94)90156-2

Cited by 229 publications

(144 citation statements)

References 67 publications

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“…In order to compare spectra recorded at different temperatures, they were corrected for the wavelength and temperature Raman scattering dependence, described previously. 60 Brillouin spectra were recorded using a JRS TFP 2 HC tandem multi-pass Fabry-Perot interferometer. The different heat treatments were carried out in a PerkinElmer 8500 differential scanning calorimeter that was modified to allow in situ Raman and Brillouin measurements simultaneously.…”

Section: Sample Preparationmentioning

confidence: 99%

Effect of thermally induced structural disorder on the chemical durability of International Simple Glass

et al. 2018

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While the influence of silicate oxide glass composition on its chemical durability is increasingly known, the contribution of structure only is less well understood, yet is crucial for an accurate description of aqueous alteration mechanisms. The effect of structural disorder can be investigated by varying the thermal history of the glass. Furthermore, the structural changes generated by selfirradiation in nuclear glasses can be compared with those induced by fast quenching. In the context of deep geological disposal of vitreous matrices, it is then challenging to address the structural impact on glass durability. Here, a borosilicate glass, the International Simple Glass, was fiberized to obtain a rapidly quenched sample. The quenching rate and fictive temperature were evaluated from in situ Raman and Brillouin spectroscopies. Multinuclear nuclear magnetic resonance was used to obtain insight into the effect of quenching on the pristine and altered glass structure. Higher bond angle distribution and lower mixing of alkalis were observed in the fast quenched glass. Some of AlO 4 groups are then Ca-compensated, while a part of BO 4 is transformed into BO 3 units. The structural modifications increase the hydrolysis of the silicate network occurring in the forward rate regime at 90°C by a factor of 1.4-1.8 depending on the pH value. Residual rate regime is similarly affected, more significantly at the beginning of the experiments conducted in silica saturated solutions. These findings prove that the reactivity of glass remains controlled by its structure under the various alteration regimes.

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Section: Sample Preparationmentioning

confidence: 99%

Effect of thermally induced structural disorder on the chemical durability of International Simple Glass

et al. 2018

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“…Amorphous silica that exhibits a glass transition is regarded as a silica glass. Silica glass has become a material of great interest in geophysics (McMillan et al, 1994;Blundy and Cashman, 2001;Wolff-Boenisch et al, 2004;Galan et al, 2013), and its high-pressure behavior has been also intensely studied from the viewpoint of condensed-matter physics. Today, it is recognized that silica glass never crystalizes with compression below at least 100 GPa, although the coordination of Si increases from four-fold to six-fold (Meade et al, 1992;Sato and Funamori, 2008;Benmore et al, 2010;Sato and Funamori, 2010;Salmon and Zeidler, 2015).…”

Section: Introductionmentioning

confidence: 99%

Pressure–induced crystallization of biogenic hydrous amorphous silica

Kyono

Yokooji

Chiba

et al. 2017

Journal of Mineralogical and Petrological Sciences

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Samples of the diatom Nitzschia cf. frustulum, collected from Lake Yogo, Siga Prefecture, Japan, were cultured in the laboratory. Organic components of the diatom cell were removed by washing with acetone and sodium hypochlorite. The remaining frustules were studied by scanning electron microscopy coupled with energy dispersive X-ray spectroscopy (SEM-EDX), Fourier-transform infrared (FTIR) spectroscopy, and synchrotron X-ray diffraction. The results showed that the spindle-shaped diatom frustule was composed of hydrous amorphous silica. Pressure-induced phase transformation of the diatom frustule was investigated by in situ Raman spectroscopic analysis. With exposure to 0.3 GPa at 100°C, the Raman band corresponding to quartz occurred at ν = 465 cm −1 . In addition, a characteristic Raman band for moganite was observed at 501 cm −1 . From the integral ratio of Raman bands, the moganite content in the probed area was estimated to be approximately 50 wt%. With increased pressure and temperature, the initial morphology of diatom frustules was totally changed to a characteristic spherical particle with a diameter of about 2 µm. Increasing pressure to 5.7 GPa at 100°C resulted in the appearance of a Raman band assignable to coesite at 538 cm −1 . That is, with compression and heating, hydrous amorphous silica can be readily crystallized into quartz, moganite, and coesite. First-principles calculations revealed that a disiloxane molecule with a trans configuration is twisted 60°with a close approach of a water molecule, which leads to a trans to cis configuration change. It is therefore reasonable to assume that during crystallization of hydrous amorphous silica, an Si-O-Si bridging unit with the cis configuration would survive as a structural defect, and could subsequently crystallize into moganite by maintaining that geometry. This hypothesis is adaptable to the phase transformation from hydrous amorphous silica to coesite as well, because coesite has four-membered rings and is easily formed from hydrous amorphous silica under high pressure and temperature conditions.

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“…This species has been predicted in theoretical studies of the effects of pressure and temperature on silicate melts and glasses [17][18][19][20][21][22][23][24][25][26][27] and inferred experimentally by 29 Si NMR and vibrational spectroscopy in alkali silicate liquids and glasses. 16,[28][29][30][31][32][33][34][35][36] Silicon has also been found in fivefold coordination with oxygen in a number of organosilicon compounds. 37,38 V Si has been proposed to play a role in the dissolution of silicates, [39][40][41] the increased diffusivity of liquid SiO 2 under pressure, 18 and viscous flow processes of other silicate melts.…”

Section: Introductionmentioning

confidence: 99%

Theoretical study of a five-coordinated silica polymorph

et al. 1997

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Theoretical calculations are performed to study transformations in silica as a function of nonhydrostatic stress. Molecular-dynamics calculations reveal a crystalline-to-crystalline transition from ␣-quartz to a phase with five-coordinated silicon ( V Si) at high pressure in the presence of deviatoric stress. The phase, which appears for specific orientations of the stress tensor relative to the crystallographic axes of quartz, is a crystalline polymorph of silica with five-coordinated silicon. The structure possesses P3 2 21 space-group symmetry. First-principles calculations within the local-density approximation, as well as molecular dynamics and energy minimization with interatomic potentials, find this phase to be mechanically and energetically stable with respect to quartz at high pressure. The calculated x-ray diffraction pattern and vibrational properties of the phase are reported. Upon decompression, the V Si phase reverts to ␣-quartz through an intermediate fourcoordinated phase and an unusual isosymmetrical phase transformation. The results suggest the importance of application of nonhydrostatic stress conditions in the design and synthesis of novel materials.

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A study of SiO2 glass and supercooled liquid to 1950 K via high-temperature Raman spectroscopy

Cited by 229 publications

References 67 publications

Effect of thermally induced structural disorder on the chemical durability of International Simple Glass

Effect of thermally induced structural disorder on the chemical durability of International Simple Glass

Pressure–induced crystallization of biogenic hydrous amorphous silica

Theoretical study of a five-coordinated silica polymorph

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