Structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi mathvariant="normal">B</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>Glass at High Pressure: A<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mmultiscripts><mml:mi mathvariant="normal">B</mml:mi><mml:mprescripts /><mml:none /><mml:mn>11</mml:mn></mml:mmultiscripts></mml:math>Solid-State NMR Stud

Lee, Sung Keun; Mibe, Kenji; Fei, Yingwei; Cody, George D.; Mysen, Bjørn O.

doi:10.1103/physrevlett.94.165507

Cited by 93 publications

(125 citation statements)

References 22 publications

Supporting

Mentioning

106

Contrasting

Order By: Relevance

“…Finally, for the sample with x=20 mol% most of the boron atoms, 85% are 3-fold coordinated. These results are in agreement with NMR investigations, as well [20,32] correlation function centred at 1.30 Å also increases. Consequently, the first neighbour distance at 1.30 Å can mainly be attributed to the 3-fold oxygen coordinated boron atoms, however, the 4-fold oxygen coordinated boron atoms also contribute to the formation of this gB-O(r) first sub-peak as well, in fairly good agreement with the result obtained from model calculations for a similar composition 55.3SiO2-14.71B2O3-29.99Na2O (dB-O=1.44 Å) in ref.…”

Section: Discussionsupporting

confidence: 81%

“…Two characteristic contributions have been detected: peak positioned around 0 ppm and a broader quadrupolar line between 5 and 20 ppm. Based on the literature ( [20] and [21]) we assigned these two contributions to [4] B(BO4) and [3] B(BO3) structural units, as indicated in Figure 1. The peak intensities clearly show concentration dependence.…”

Section: Nuclear Magnetic Resonance Experiments and Resultsmentioning

confidence: 99%

“…The structure of borate glasses with alkali oxides has been extensively studied. A nuclear magnetic resonance (NMR) spectroscopy measurements show that the fraction of boron atoms tetrahedral coordinated to the total number of boron atoms varied with the modifier compositions [8][9][10]. By Raman spectroscopy, typical borate groups, such as boroxol, trigonal and tetrahedral units were found to exist in several borate compounds [11,12].…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Basic network structure of SiO₂–B₂O₃–Na₂O glasses from diffraction and reverse Monte Carlo simulation

Fábián

Araczki

2016

Phys. Scr.

View full text Add to dashboard Cite

Neutron-and high-energy synchrotron X-ray diffraction experiments have been performed on the (75-x)SiO2-xB2O3-25Na2O x=5, 10, 15 and 20 mol% glasses. The structure factor has been measured over a broad momentum transfer range, between 0.4-22 Å -1 . For data analyses and modeling the Fourier transformation and the RMC simulation techniques have been applied. The partial atomic pair correlation functions, the nearest neighbour distances, coordination number distributions and average coordination number values and three-particle bond angle distributions have been revealed. The Si-O network proved to be highly stable consisting of SiO4 tetrahedral units with characteristic distances at rSi-O=1.60 Å and rSi-Si=3.0(5) Å. The behaviour of network forming boron atoms proved to be more complex. The first neighbour B-O distances show two distinct values at 1.30 Å and a characteristic peak at 1.5(5) Å and, both trigonal BO3 and tetrahedral BO4 units are present. The relative abundance of BO4 and BO3 units depend on the boron content, and with increasing boron content the number of BO4 is decreasing, while BO3 is increasing.Keyword: borosilicate glasses, neutron and X-ray diffraction, RMC simulation IntroductionRecently, several experiments have been reported on the study of structure and properties of sodium borosilicate glasses from fundamental and industrial point of view, due to the potential applicability for immobilizing of high-level radioactive wastes, like U-, Pu-, Th-oxides [1-7 and therein]. It has been found that the modifier effect of Na ions influences the ratio of nature of glass network formers Si, B and it is possible to archive a mixed glass network former effect. This effect is believed to have a structural origin, yet a precise understanding of it is still lacking because of the structural complexity of the sodium borosilicate glasses. The structure of borate glasses with alkali oxides has been extensively studied. A nuclear magnetic resonance (NMR) spectroscopy measurements show that the fraction of boron atoms tetrahedral coordinated to the total number of boron atoms varied with the modifier compositions [8][9][10]. By Raman spectroscopy, typical borate groups, such as boroxol, trigonal and tetrahedral units were found to exist in several borate compounds [11,12]. Recently, we have started to examined the atomic structure of a newly prepared three-component sodium-borosilicate system, using a combination of neutron diffraction (ND), high-energy X-ray diffraction (XRD) and reverse Monte Carlo (RMC) modelling that are capable of building threedimensional structure models and so yield a more detailed description of the atomic-scale glass structure. In our previous works we studied the binary sodium silicate glasses (70SiO2-30Na2O) [13], the binary sodium borate glasses (75B2O3-25Na2O) [14] and a five-component sodium borosilicate glass (55SiO2-25Na2O-10B2O3-5BaO-5ZrO2) [15]. Here, we apply the same approach to a ternary

show abstract

Section: Discussionsupporting

confidence: 81%

Section: Nuclear Magnetic Resonance Experiments and Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Basic network structure of SiO₂–B₂O₃–Na₂O glasses from diffraction and reverse Monte Carlo simulation

Fábián

Araczki

2016

Phys. Scr.

View full text Add to dashboard Cite

show abstract

“…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.

Self Cite

114

View full text Add to dashboard Cite

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...

show abstract

“…Future studies in sesquioxides and sesquisulfides will bring undoubtedly new exciting results on the high-pressure behavior of A 2 X 3 corundum-type compounds. In fact, the pressure behavior of B 2 O 3 is highly complex and there are a number of unsolved questions in condensed matter physics in spite of its fundamental importance to the dynamics of magmatic melts in the Earth's interior [227].…”

Section: Ax 2 Compoundsmentioning

confidence: 99%

Pressure‐induced structural phase transitions in materials and earth sciences

Manjón

Errandonea

2008

Physica Status Solidi (b)

View full text Add to dashboard Cite

Pressure is an important thermodynamic parameter since it allows an increase of matter density by reducing volume. The reduction of volume by applying high pressures leads to an overall decrease of interatomic and intermolecular distances that allows exploring in detail atomic and molecular interactions. Therefore, high‐pressure research has improved our fundamental understanding of these interactions in solids, liquids and gasses. The study of the structure of matter under compression is a rapid developing field that is receiving increasing attention especially due to continuous experimental and theoretical developments. In this article, we give a brief description of the experimental and theoretical methods employed in the study of solid matter at high pressures and summarize the high‐pressure phases of the most relevant elements and inorganic compounds of the AX, A2X, AX2, ABX2, A2X3, ABX3, ABX4 and AB2X4 families giving an overview of the state of the art in high‐pressure research by highlighting recent discoveries, hot spots, controversial questions, and future directions of research. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

show abstract

Structure ofB2O3Glass at High Pressure: AB11Solid-State NMR Stud

Cited by 93 publications

References 22 publications

Basic network structure of SiO₂–B₂O₃–Na₂O glasses from diffraction and reverse Monte Carlo simulation

Basic network structure of SiO₂–B₂O₃–Na₂O glasses from diffraction and reverse Monte Carlo simulation

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

Pressure‐induced structural phase transitions in materials and earth sciences

Contact Info

Product

Resources

About

Structure ofB2O3Glass at High Pressure: AB11Solid-State NMR Stud

Cited by 93 publications

References 22 publications

Basic network structure of SiO2–B2O3–Na2O glasses from diffraction and reverse Monte Carlo simulation

Basic network structure of SiO2–B2O3–Na2O glasses from diffraction and reverse Monte Carlo simulation

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

Pressure‐induced structural phase transitions in materials and earth sciences

Contact Info

Product

Resources

About

Basic network structure of SiO₂–B₂O₃–Na₂O glasses from diffraction and reverse Monte Carlo simulation

Basic network structure of SiO₂–B₂O₃–Na₂O glasses from diffraction and reverse Monte Carlo simulation