Effect of pressure on structure of oxide glasses at high pressure: Insights from solid-state NMR of quadrupolar nuclides

Lee, Sung Keun

doi:10.1016/j.ssnmr.2010.10.002

Cited by 81 publications

(105 citation statements)

References 127 publications

(257 reference statements)

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“…27 Al has spin S ¼ 5/2, thereby constituting a quadrupolar nucleus with halfinteger spin, for which spin quantum numbers S ¼ q/2 with q ¼ 3, 5, 7, 9 f g are encountered across the Periodic Table [29,90,91]. Other common halfinteger spin nuclei utilized in the context of AS glasses are 23 Na (S ¼ 3/2), 17 O (S ¼ 5/2), and 45 Sc (S ¼ 7/2).…”

Section: Chemical Shifts Of 27 Alo P Groups In Oxide-based Materialsmentioning

confidence: 99%

“…10). However, nonselective rf irradiation may rarely be arranged for solid samples (and virtually never for glasses, owing to the spread in ω Q (see Section 5.4), except for nuclei with low electric quadrupolar moments, e.g., 2 H (S ¼ 1), 6 Li (S ¼ 1), and 7 Li (S ¼ 3/2), or quadrupolar sites in perfectly symmetric environments, such as 23 Na in the cubic structure of NaCl. Nevertheless, the "nonselective" regime is exploited routinely for rf power calibrations on aqueous solutions of salts comprising quadrupolar nuclei, such as Al 3+ (aq) for 27 Al.…”

Section: Rf Pulses and Quadrupolar Interactionsmentioning

confidence: 99%

“…Each of them is discussed in its dedicated section, including the pivotal role of the B 0 magnitude and the importance of the choice of MAS rate, the magic-angle setting, rf-pulse calibrations and the selection of relaxation delays. Although the discussion focusses on 27 Al NMR in AS glasses, most of the concerns/ precautions apply generally to experimentation of other half-integer spins in inorganic materials, such as 11 B, 17 O, and 23 Na that often exhibit comparable quadrupolar frequencies as those of 27 Al.…”

Section: Practical Advice For Recording Quantitativementioning

confidence: 99%

“…While extensive research by NMR is pursued to uncover the dependence of oxide-based glass structures on pressure [23], our review solely considers AS glasses prepared at ambient pressure. The present text focusses primarily on the short-range (≲0:3 nm) structural properties of aluminosilicate glasses.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

27Al NMR Studies of Aluminosilicate Glasses

Edén

2015

Annual Reports on NMR Spectroscopy

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Section: Chemical Shifts Of 27 Alo P Groups In Oxide-based Materialsmentioning

confidence: 99%

Section: Rf Pulses and Quadrupolar Interactionsmentioning

confidence: 99%

Section: Practical Advice For Recording Quantitativementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

27Al NMR Studies of Aluminosilicate Glasses

Edén

2015

Annual Reports on NMR Spectroscopy

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“…The simple predictive NBO fraction in the melt, if available, could be useful to yield the microscopic origins of melt properties. The advent of high-resolution, element-specific, multinuclear NMR techniques such as triple quantum magic angle spinning (3QMAS) NMR allows us to obtain previously unknown details of the pressure-induced structural changes in multicomponent melts at high pressure (23,(27)(28)(29). Quaternary Ca-Na aluminosilicate (CNAS) melts is a model system for slab-driven magmatic melts and midocean ridge basalts (MORBs) composition melts in the Earth's interior (30,31) and provides insights into the structure of complex primordial melts and magmatic reservoirs.…”

mentioning

confidence: 99%

Simplicity in melt densification in multicomponent magmatic reservoirs in Earth’s interior revealed by multinuclear magnetic resonance

Lee

2011

Proc. Natl. Acad. Sci. U.S.A.

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114

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Pressure-induced changes in properties of multicomponent silicate melts in magma oceans controlled chemical differentiation of the silicate earth and the composition of partial melts that might have formed hidden reservoirs. Although melt properties show complex pressure dependences, the melt structures at high pressure and the atomistic origins of these changes are largely unknown because of their complex pressure-composition dependence, intrinsic to multicomponent magmatic melts. Chemical constraints such as the nonbridging oxygen (NBO) content at 1 atm, rather than the structural parameters for melt polymerization, are commonly used to account for pressure-induced changes in the melt properties. Here, we show that the pressure-induced NBO fraction in diverse silicate melts show a simple and general trend where all the reported experimental NBO fractions at high pressure converge into a single decaying function. The pressure-induced changes in the NBO fraction account for and predict the silica content, nonlinear variations in entropy, and the transport properties of silicate melts in Earth's mantle. The melt properties at high pressure are largely different from what can be predicted for silicate melts with a fixed NBO fraction at 1 atm. The current results with simplicity in melt polymerization at high pressure provide a molecular link to the chemical differentiation, possibly missing Si content in primary mantle through formation of hidden Si-rich mantle reservoirs. E arly in Earth history, during the magma-ocean phase, the chemical differentiation of the silicate earth, formation of core, and evolution of atmosphere were controlled by the properties of silicate melts at high pressure (1-6). Pioneering experimental studies show that these thermodynamic and transport properties relevant to the chemical evolution of the Earth vary nonlinearly with changes in pressure (7-9). For instance, the solubility of Ar into melts increases with increasing pressure and then decreases drastically with a further increase in pressure, with data suggesting a strong composition dependence (7,10,11). Similarly, complex behaviors were reported for the diffusivity and viscosity of silicate melts at high pressure (8). Although the trend in the silica activity in the melts at high pressure is not known, phase relations of mantle melts and minerals imply varying activity coefficients of the oxide in silicate melts with changes in pressure (12)(13)(14). Changes of up to two orders of magnitude in the element partitioning coefficient between melts and crystal/coexisting phases have been reported stemming mostly from the effect of the melt composition, constraining the fate of radioactive nuclides in the Earth's interior (15-18).The key to understanding these nonlinear changes in melt properties with pressure is the melt structure at high-pressure in a short-(e.g., coordination number) to medium-range scale (19)(20)(21). While recent progress in mineral physics provides the link between the macroscopic properties and the structures of...

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Anomalous density and elastic properties of basalt at high pressure: Reevaluating of the effect of melt fraction on seismic velocity in the Earth's crust and upper mantle

et al. 2016

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Independent measurements of the volumetric and elastic properties of Columbia River basalt glass were made up to 5.5 GPa by high‐pressure X‐ray microtomography and GHz‐ultrasonic interferometry, respectively. The Columbia River basalt displays P and S wave velocity minima at 4.5 and 5 GPa, respectively, violating Birch's law. These data constrain the pressure dependence of the density and elastic moduli at high pressure, which cannot be modeled through usual equations of state nor determined by stepwise integrating the bulk sound velocity as is common practice. We propose a systematic variation in compression behavior of silicate glasses that is dependent on the degree of polymerization and arises from the flexibility of the aluminosilicate network. This behavior likely persists into the liquid state for basaltic melts resulting in weak pressure dependence for P wave velocities perhaps to depths of the transition zone. Modeling the effect of partial melt on P wave velocity reductions suggests that melt fraction determined by seismic velocity variations may be significantly overestimated in the crust and upper mantle.

show abstract

Effect of pressure on structure of oxide glasses at high pressure: Insights from solid-state NMR of quadrupolar nuclides

Cited by 81 publications

References 127 publications

27Al NMR Studies of Aluminosilicate Glasses

27Al NMR Studies of Aluminosilicate Glasses

Simplicity in melt densification in multicomponent magmatic reservoirs in Earth’s interior revealed by multinuclear magnetic resonance

Anomalous density and elastic properties of basalt at high pressure: Reevaluating of the effect of melt fraction on seismic velocity in the Earth's crust and upper mantle

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