Structure and related properties of amorphous magnesium aluminosilicates

Gammond, Lawrence V. D.; Silva, Rita Mendes Da; Zeidler, Anita; Mohammadi, Hesameddin; Youngman, Randall E.; Aitken, B. G.; Florian, Pierre; Hennet, Louis; Fischer, Henry E.; Hannon, Alex C.; Benmore, Chris J.; Salmon, Philip

doi:10.1103/physrevmaterials.6.125603

Cited by 7 publications

(18 citation statements)

References 73 publications

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“…The widened signal at lower chemical shift results from both second-order quadrupolar effects and a possible additional 27 Al resonance due to higher coordinated Al species in Mg-rich aluminosilicate glasses. Combined with the coordination environment study of Mg in the Mg-rich region by Guignard et al, 9 as shown in Table S2, the proportions of [4] Mg, [5] Mg, [6] Mg in 42MgO•8Al 2 O 3 •50SiO 2 glass, 34MgO•16Al 2 O 3 •50SiO 2 glass, and 25MgO•25Al 2 O 3 •50SiO 2 glass are 0.189, 0.535, 0.276; 0.200, 0.537, 0.276; and 0.205, 0.535, 0.260, respectively. These results can be utilized as a guide for Mg coordination number distributions in this system because they are similar to the components in this study.…”

Section: Linear Increase Of T G In Mg-rich Aluminosilicate Glassesmentioning

confidence: 91%

“…For peraluminous glasses, the proportion of [5] Al increases as expected, as not enough Mg 2+ cations are present to ensure local charge balance to [AlO 4 ] − tetrahedra. With increasing the molar ratio r, the proportion of [5] Al and [6] Al increases, and the proportion of [4] Al decreases. The extrapolation of the variation of [5] Al at 51 mol% SiO 2 in the MAS system up to the Al 2 SiO 5 composition is in good agreement with the value of 54% of [5] Al found by Poe et al 41 The high [5] Al content in peraluminous glasses is the indicative of a large number of oxygen triclusters ( [3] O).…”

Section: Steeper Increase Of T G In Peraluminous Aluminosilicate Glassesmentioning

confidence: 95%

“…When it comes to aluminosilicate glasses, magnesium cations are expected to play a more important role as charge balancers near the [AlO 4 ] − tetrahedra. However, experimental investigation 9 of the Mg environments using neutron, XRD, and Reverse Monte Carlo modeling indicates that with the increase of Al content, no significant S2, the proportions of [4] Mg, [5] Mg, [6] Mg in 50MgO•50SiO 2 glass, 34MgO•16Al 2 O 3 •50SiO 2 glass, and 25MgO•25Al 2 O 3 •50SiO 2 glass are 0.172, 0.548, 0.280; 0.200, 0.537, 0.276; and 0.205, 0.535, 0.260, respectively. Therefore, originated from their neighboring site in the elemental periodic table, the lack of a significant change in the Mg coordination number upon the addition of Al shows that Mg can compete favorably with Al for oxygen.…”

Section: 1mentioning

confidence: 99%

“…The microscopic structural origin of this behavior was attributed to the facts that Mg cations compete with Al and Si in network-forming positions and are not entirely available for modifying the glassy network or charge-balancing Al atoms. However, recently, based on the comprehensive investigation on the structure of magnesium aluminosilicate glasses by using neutron and X-ray diffraction (XRD) together with 27 Al magic-angle spinning (MAS) nuclear magnetic resonance (NMR), Gammond et al 6 suggested that magnesium ions do not contribute toward the glass network and could be in a predominantly network-modifying versus charge-compensating role. That is to say, they argued that a network forming role for Mg ions is improbable.…”

Section: Introductionmentioning

confidence: 99%

“…In addition, many investigations have been reported on the local coordination environments of the Mg and Al atoms in aluminosilicate glasses and how it is impacted by composition and other processing conditions, both by experiments and atomistic simulations. 6,[8][9][10] The formation of the oxygen triclusters ( [3] O) in peraluminous glasses is generally accepted. Despite its great importance, the verification of [3] O clusters in aluminosilicate glasses has been limited spectroscopically.…”

Section: Introductionmentioning

confidence: 99%

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Mg and Al mixed effects on thermal properties in aluminosilicate glasses

Wang

et al. 2023

J Am Ceram Soc.

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By using the aerodynamic levitation and laser melting technique to well extend the glass‐forming region into the Mg‐rich and peraluminous regime, a series of magnesium aluminosilicate glasses were prepared to investigate the Mg and Al mixed effects on thermal properties, including glass transition temperature (Tg), crystallization behavior, and thermal stability. With the gradual substitution of Mg by Al, Tg exhibits two types of near‐linear rises with different slopes in two compositional regions separated by r = 0.57, where r is equal to the molar ratio of [Al2O3]/([Al2O3] + [MgO]). Moreover, when it comes to other properties, that is, crystallization behavior and thermal stability, this critical point precisely appears at the same r = 0.57. Compared to the slower increase of Tg in Mg‐rich region, the steeper rise of Tg in the peraluminous region is mainly ascribed to the step‐by‐step formation of oxygen triclusters driven by Pauling's second rule. Moreover, the occurrence of the critical point for Tg rise at r = 0.57 rather than the theoretical 0.5 can be seen as a proof of the role of Mg cations partly as a network former.

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Section: Linear Increase Of T G In Mg-rich Aluminosilicate Glassesmentioning

confidence: 91%

Section: Steeper Increase Of T G In Peraluminous Aluminosilicate Glassesmentioning

confidence: 95%

Section: 1mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Mg and Al mixed effects on thermal properties in aluminosilicate glasses

Wang

et al. 2023

J Am Ceram Soc.

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Sub-Nanometer-Range Structural Effects From Mg²⁺ Incorporation in Na-Based Borosilicate Glasses Revealed by Heteronuclear NMR and MD Simulations

Lv,

Stevensson,

Mathew

et al. 2024

J. Phys. Chem. B

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Magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) experiments and molecular dynamics (MD) simulations were employed to investigate Na 2 O−B 2 O 3 −SiO 2 and MgO− Na 2 O−B 2 O 3 −SiO 2 glass structures up to ≈0.3 nm. This encompassed the {Na [p] }, {Mg [p] }, and {B [3] , B [4] } speciations and the {Si, B [p] , M [p] }−BO and {Si, B [p] , M [p] }−NBO interatomic distances to the bridging oxygen (BO) and nonbridging oxygen (NBO) species, where the superscript indicates the coordination number. The MD simulations revealed the dominance of Mg [5] coordinations, as mirrored in average Mg 2+ coordination numbers in the 5.2−5.5 range, which are slightly lower than those of the larger Na + cation but with a narrower coordination distribution stemming from the higher cation field strength (CFS) of the smaller divalent Mg 2+ ion. We particularly aimed to elucidate such Na + /Mg 2+ CFS effects, which primarily govern the short-range structure but also the borosilicate (BS) glass network order, where both MD simulations and heteronuclear double-resonance 11 B/ 29 Si NMR experiments revealed a reduction of B [4] −O−Si linkages relative to B [3] −O−Si upon Mg 2+ -for-Na + substitution. These effects were quantified and discussed in relation to previous literature on BS glasses, encompassing the implications for simplified structural models and descriptions thereof.

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Mapping the structural trends in zinc aluminosilicate glasses

Silva

Zeidler

Mohammadi

et al. 2023

The Journal of Chemical Physics

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The structure of zinc aluminosilicate glasses with the composition (ZnO)x(Al2O3)y(SiO2)1−x−y, where 0 ≤ x < 1, 0 ≤ y < 1, and x + y < 1, was investigated over a wide composition range by combining neutron and high-energy x-ray diffraction with 27Al magic angle spinning nuclear magnetic resonance spectroscopy. The results were interpreted using an analytical model for the composition-dependent structure in which the zinc ions do not act as network formers. Four-coordinated aluminum atoms were found to be in the majority for all the investigated glasses, with five-coordinated aluminum atoms as the main minority species. Mean Al–O bond distances of 1.764(5) and 1.855(5) Å were obtained for the four- and five-coordinated aluminum atoms, respectively. The coordination environment of zinc was not observed to be invariant. Instead, it is dependent on whether zinc plays a predominantly network-modifying or charge-compensating role and, therefore, varies systematically with the glass composition. The Zn–O coordination number and bond distance were found to be 4.36(9) and 2.00(1) Å, respectively, for the network-modifying role vs 5.96(10) and 2.08(1) Å, respectively, for the charge-compensating role. The more open coordination environment of the charge-compensator is related to an enhanced probability of zinc finding bridging oxygen atoms as nearest-neighbors, reflecting a change in the connectivity of the glass network comprising four-coordinated silicon and aluminum atoms as the alumina content is increased.

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Structure and related properties of amorphous magnesium aluminosilicates

Cited by 7 publications

References 73 publications

Mg and Al mixed effects on thermal properties in aluminosilicate glasses

Mg and Al mixed effects on thermal properties in aluminosilicate glasses

Sub-Nanometer-Range Structural Effects From Mg²⁺ Incorporation in Na-Based Borosilicate Glasses Revealed by Heteronuclear NMR and MD Simulations

Mapping the structural trends in zinc aluminosilicate glasses

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Structure and related properties of amorphous magnesium aluminosilicates

Cited by 7 publications

References 73 publications

Mg and Al mixed effects on thermal properties in aluminosilicate glasses

Mg and Al mixed effects on thermal properties in aluminosilicate glasses

Sub-Nanometer-Range Structural Effects From Mg2+ Incorporation in Na-Based Borosilicate Glasses Revealed by Heteronuclear NMR and MD Simulations

Mapping the structural trends in zinc aluminosilicate glasses

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Product

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Sub-Nanometer-Range Structural Effects From Mg²⁺ Incorporation in Na-Based Borosilicate Glasses Revealed by Heteronuclear NMR and MD Simulations