Structural ordering in a calcium silicate glass

Eckersley, M. C.; Gaskell, Philip; Barnes, Adrian C; Chieux, P.

doi:10.1038/335525a0

Cited by 126 publications

(79 citation statements)

References 9 publications

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“…However, we know from Eckersley et al (1988) and Gaskell et al (1991) that Ca 2+ cations are not randomly distributed in CaSiO3 glass. Ca 2 + cations show a structural medium-range ordering, i.e.…”

Section: Premelting Of Pseudowollastonitementioning

confidence: 99%

TEM imaging of polytypism in pseudowollastonite

Ingrin¹

1993

Phys Chem Minerals

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Section: Premelting Of Pseudowollastonitementioning

confidence: 99%

TEM imaging of polytypism in pseudowollastonite

Ingrin¹

1993

Phys Chem Minerals

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“…Hence, mixtures of calcium in its natural abundance and 44 Ca are commonly used in NDIS experiments providing a modest scattering length contrast of 3.28(4) fm. NDIS with Ca isotopes was used previously to determine S CaCa (Q) in (CaO) 0.48 (SiO 2 ) 0.49 (Al 2 O 3 ) 0.03 glass [18,19], and has been combined with aerodynamic levitation and laser heating to investigate the structure of liquid and glassy CaSiO 3 [20] and CaAl 2 O 4 [3]. The latter experiments enabled the successful precise determination of the Ca-O coordination environment in these liquids, and although the S CaCa (Q) was indiscernible for the liquid above the statistical noise, S CaCa (Q) was successfully determined for the CaAl 2 O 4 glass [3].…”

Section: Introductionmentioning

confidence: 99%

Structure of liquid tricalcium aluminate

et al. 2017

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This is the final published version of the article (version of record). It first appeared online via APS at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.95.064203. Please refer to any applicable terms of use of the publisher. University of Bristol -Explore Bristol Research General rightsThis document is made available in accordance with publisher policies. Please cite only the published version using the reference above. The atomic-scale structure of aerodynamically levitated and laser-heated liquid tricalcium aluminate (Ca 3 Al 2 O 6 ) was measured at 2073(30) K by using the method of neutron diffraction with Ca isotope substitution (NDIS). The results enable the detailed resolution of the local coordination environment around calcium and aluminum atoms, including the direct determination of the liquid partial structure factor, S CaCa (Q), and partial pair distribution function, g CaCa (r). Molecular dynamics (MD) simulation and reverse Monte Carlo (RMC) refinement methods were employed to obtain a detailed atomistic model of the liquid structure. The composition Ca 3 Al 2 O 6 lies at the CaO-rich limit of the CaO:Al 2 O 3 glass-forming system. Our results show that, although significantly depolymerized, liquid Ca 3 Al 2 O 6 is largely composed of AlO 4 tetrahedra forming an infinite network with a slightly higher fraction of bridging oxygen atoms than expected for the composition. Calcium-centered polyhedra exhibit a wide distribution of four-to sevenfold coordinated sites, with higher coordinated calcium preferentially bonding to bridging oxygens. Analysis of the MD configuration reveals the presence of ∼10 % unconnected AlO 4 monomers and Al 2 O 7 dimers in the liquid. As the CaO concentration increases, the number of these isolated units increases, such that the upper value for the glass-forming composition of CaO:Al 2 O 3 liquids could be described in terms of a percolation threshold at which the glass can no longer support the formation of an infinitely connected AlO 4 network.

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“…Si or Al bearing tetrahedra [40][41][42]. Contents of Si and Al occupying other coordinated sites (e.g.…”

Section: Introductionmentioning

confidence: 99%

“…Glass modifier such as Na + and Ca 2+ are known to have a depolymerization effect on SiO 2 network [40]. Indeed, Ca 2+ occupies highly distorted sites [42] and strongly increases the non-bonding oxygen in glass. It leads to a less connected glass network [43].…”

Section: Introductionmentioning

confidence: 99%