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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Drewitt, James W. E.
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (12/12 displayed)
- 2022Boron incorporation in silicate melt
- 2022The glass transition and the non-Arrhenian viscosity of carbonate meltscitations
- 2022The glass transition and the non-Arrhenian viscosity of carbonate meltscitations
- 2022Boron incorporation in silicate melt:pressure-induced coordination changes and implications for B isotope fractionation
- 2021Structure of levitated Si-Ge melts studied by high-energy x-ray diffraction in combination with reverse Monte Carlo simulationscitations
- 2019Configurational constraints on glass formation in the liquid calcium aluminate systemcitations
- 2017Structure of rare-earth chalcogenide glasses by neutron and x-ray diffractioncitations
- 2016Neutron diffraction of calcium aluminosilicate glasses and meltscitations
- 2013Structure of (FexCa1-xO)(y)(SiO2)(1-y) liquids and glasses from high-energy x-ray diffractioncitations
- 2013Fragile glass - formers reveal their structural secrets
- 2013Structure of (FexCa1-xO)(y)(SiO2)(1-y) liquids and glasses from high-energy x-ray diffraction:Implications for the structure of natural basaltic magmascitations
- 2011Application of time resolved x-ray diffraction to study the solidification of glass-forming melts
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article
Boron incorporation in silicate melt
Abstract
Ab initio molecular dynamics simulations have been employed to investigate the nature of boron incorporation in a haplobasalt melt at pressures up to 8 GPa. At ambient pressure, boron is predominantly incorporated as trigonal planar BO3 units. With increasing pressure, the proportion of tetrahedral BO4 increases markedly in parallel with increases in the coordination of other cations in silicate liquids. In contrast to studies of high-pressure boron-rich silicate glasses and liquids where boron units are polymerized, simulations of low B-concentration liquid here indicate that boron does not adopt a significant role as a network-forming cation. Marked changes in the proportion of BO4 in silicate melt at even moderate pressures (from 5 to 20%, over the pressure range 0–3 GPa) imply that pressure may significantly affect the extent of melt/fluid and melt/crystal boron isotope fractionation. This pressure-effect should be considered when using boron isotope data to elucidate processes occurring within the mantle.