Local structural variation with oxygen fugacity in Fe2SiO4+ fayalitic iron silicate melts

Alderman, Oliver L. G.; Lazareva, L. P.; Wilding, Martin C.; Benmore, Chris J.; Heald, Steve M.; Johnson, C. E.; Johnson, Jeffery L.; Hah, Hien-Yoong; Sendelbach, S.; Tamalonis, Anthony; Skinner, Lawrie; Parise, John B.; Weber, Jacques

doi:10.1016/j.gca.2016.12.038

Cited by 36 publications

(31 citation statements)

References 100 publications

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“…The XANES data show a shift in the pre-edge peaks to higher E upon melt-quenching. Such changes imply oxidation during melt-quenching, which appears to be supported by the Mössbauer measurements on the recovered solids [24].…”

Section: Iron-bearing Liquidssupporting

confidence: 57%

Determining the Structure of Stable and Supercooled Liquids by High Energy X-Ray Diffraction

Wilding¹,

Benmore²,

Weber³

et al. 2017

Contributed Papers From MS&T17

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The average structure of glass-forming liquids and glasses can be studied by high energy Xray diffraction (HEXRD) and can be directly compared to predictions by simulations. X-rays with high incident energy (>100 keV) are highly penetrating and provide scattering data to high values of scattering vector (up to 30Å-1). The beam spot sizes are small (typically 50-500 microns) and data acquisition time rapid (typically 0.1 to 0.5s), so relatively small samples can be studied and transient processes studied. By combining HEXRD with containerless techniques a series of refractory oxide liquid systems have been studied with the opportunity available to study deeply supercooled regions, the vitrification process and the influence of changing the partial pressure of oxygen. The scope of these studies has recently been extended to include molten salts and lower melting point liquids, these latter studies have been combined with state-of-the-art Molecular Dynamics simulations which allow full descriptions of the structure and dynamics of liquids to be developed.

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Section: Iron-bearing Liquidssupporting

confidence: 57%

Determining the Structure of Stable and Supercooled Liquids by High Energy X-Ray Diffraction

Wilding¹,

Benmore²,

Weber³

et al. 2017

Contributed Papers From MS&T17

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“…XANES spectra were corrected and normalized using the IFEFFIT software via the Athena interface as described in detail elsewhere . In order to isolate the pre‐edge peaks (Figure ), two Lorentzian peaks were fitted to the main edge, up to an intensity of ∼0.5 normalized units, and with the energy range containing the pre‐edge peaks excluded.…”

Section: Methodsmentioning

confidence: 99%

Rare‐earth titanate melt structure and glass formation

Alderman

Benmore

Tamalonis

et al. 2019

Int J of Appl Glass Sci

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The structure of rare-earth titanate melts and glasses of composition 17RE 2 O 3 .83TiO 2 have been investigated in situ by aerodynamic levitation with laser heating. Ti K-edge X-ray absorption near-edge structure (XANES) spectroscopy reveals an effect of RE cation size on mean Ti-O coordination numbers (n TiO ), which increase from ∼4.8(2) in glass-forming La titanate to ∼5.1(2) in non-glass-forming Sc titanate liquids. We suggest that the associated increase in OTi 3 triclusters in melts bearing smaller RE cations tends to inhibit glass formation. Both XANES and high-energy X-ray diffraction indicate increases in n TiO as the liquids supercool and vitrify. Results are discussed in the context of alkali and alkaline-earth titanate glasses, extending the observed dependence of n TiO on structural basicity (modifier content divided by potential) to trivalent modifiers and the molten state. We suggest that the most stable titanate glasses form close to compositions where, on average, two oxygen anions bond to each titanium, allowing a continuous, disordered Ti-O network of bridging oxygen (OTi 2 ), or with equal numbers of OTi 3 triclusters and OTi 1 non-bridging oxygen in charge-balance. We report on new glasses formed from praseodymium, europium, and gadolinium titanate melts, the latter being the smallest rare-earth for which binary titanate glasses have been obtained. K E Y W O R D Scharacterization, glass forming melts, glass forming systems, structure, X-ray absorption, X-ray diffraction Oliver L. G. Alderman is recognized as IJAGS Outstanding Young Researcher. |ALDERMAN Et AL. 65The ionic radii 54 are for trivalent cations in sixfold coordination to oxygen, for sake of comparison. "-" indicate lack of any glass formation for the 17RE 2 O 3 .83TiO 2 compositions tested herein. a In argon gas flow only. b Batched as CeO 2 . 2 How to cite this article: Alderman OLG, Benmore CJ, Tamalonis A, Weber R. Rare-earth titanate melt structure and glass formation. Int J Appl Glass Sci.

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“…40 In the X-ray and neutron PDFs shown in Figure 4 A and B, respectively, the Si-O distance is observed at 1.62 Å, which aligns with the values reported in the literature for silicate glasses. [41][42][43][44] The Ca-O correlation is observed as a shoulder or smaller peak at approx. 2.25-2.30 Å.…”

Section: Cao-feo X -Sio 2 Slagsmentioning

confidence: 99%

Molecular structure of CaO–FeO_x–SiO₂ glassy slags and resultant inorganic polymer binders

et al. 2018

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The molecular structures of CaO–FeOx–SiO2 slags and their inorganic polymer counterparts were determined using neutron and X‐ray scattering with subsequent pair distribution function (PDF) analysis. The slags were synthesized with approximate molar compositions: 0.17CaO–0.83FeO–SiO2 and 0.33CaO–0.67FeO–SiO2 (referred to as low‐Ca and high‐Ca, respectively). The PDF data on the slags reasserted the predominantly glassy nature of this iron‐rich industrial byproduct. The dominant metal‐metal correlation was Fe–Si (3.20‐3.25 Å), with smaller contributions from Fe–Ca (3.45‐3.50 Å) and Fe–Fe (2.95‐3.00 Å). After inorganic polymer synthesis, a rise in the amount of Fe3+ was observed via the shift of the Fe–O bond length to shorter distances. This shortening of the Fe–O distance in the binder is also evidenced by the apparent rise of the Fe–Fe correlation at 2.95‐3.00 Å, although this feature may also suggest a potential aggregation of FeOx clusters. In general, the atomic arrangements of the reaction product was shown to be very similar to the precursor structure and the dominance of the Fe–Si correlation suggests the participation of Fe in the silicate network. The binder was shown to be glassy, as no distinct atom‐atom correlations were observed beyond 8 Å.

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Local structural variation with oxygen fugacity in Fe2SiO4+ fayalitic iron silicate melts

Cited by 36 publications

References 100 publications

Determining the Structure of Stable and Supercooled Liquids by High Energy X-Ray Diffraction

Determining the Structure of Stable and Supercooled Liquids by High Energy X-Ray Diffraction

Rare‐earth titanate melt structure and glass formation

Molecular structure of CaO–FeO_x–SiO₂ glassy slags and resultant inorganic polymer binders

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Local structural variation with oxygen fugacity in Fe2SiO4+ fayalitic iron silicate melts

Cited by 36 publications

References 100 publications

Determining the Structure of Stable and Supercooled Liquids by High Energy X-Ray Diffraction

Determining the Structure of Stable and Supercooled Liquids by High Energy X-Ray Diffraction

Rare‐earth titanate melt structure and glass formation

Molecular structure of CaO–FeOx–SiO2 glassy slags and resultant inorganic polymer binders

Contact Info

Product

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About

Molecular structure of CaO–FeO_x–SiO₂ glassy slags and resultant inorganic polymer binders