Data sets for "Structure and related properties of amorphous magnesium aluminosilicates"
Data sets used to prepare Figures 4-22 and S1-S11 in the Physical Review Materials article entitled "Structure and related properties of amorphous magnesium aluminosilicates." The data sets describe the structure across a wide composition range.
Cite this dataset as:
Salmon, P.,
Zeidler, A.,
2022.
Data sets for "Structure and related properties of amorphous magnesium aluminosilicates".
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-01139.
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Data
Fig4_Sofk_ND_50molpc_SiO2.agr
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Figure 4 shows the neutron S(k) functions for the MgAS glasses with 50mol% silica measured using SLS/GEM (black curves) or D4c (red curves).
Fig5_Sofk_XRD_50molpc_SiO2_v2.agr
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Figure 5 shows the x-ray S(k) functions for the MgAS glasses with 50 mol% silica.
Fig6_Sofk_ND_tecto.agr
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Figure 6 shows the neutron S(k) functions for the MgAS glasses along the tectosilicate tie-line measured using SLS (black curves) or D4c (red curves).
Fig7_Dofr_ND … SiO2_part1.agr
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Figure 7 shows the fitted neutron D'(r) functions for several of the MgAS glasses with 50 mol% silica.
Fig8_Dofr_XRD_50molpc_SiO2_v2.agr
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Figure 8 shows the fitted x-ray D'(r) functions for several of the MgAS glasses with 50 mol% silica.
Fig9_Dofr_ND … main_text.agr
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Figure 9 shows the fitted neutron D'(r) functions for several of the MgAS glasses along the tectosilicate tie-line.
Fig10a_Model … gamma_0p77_v2.agr
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Figure 10a shows the predictions of the GYZAS structural model for glassy MgAS along the 50 mol% silica tie-line for p = 0.77.
Fig10b_Model … gamma_0p77.agr
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Figure 10b shows the predictions of the GYZAS structural model for glassy MgAS along the 60 mol% silica tie-line for p = 0.77.
Fig19_NBO_vs_R.agr
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Figure 19 shows the R dependence of (a) f_{NBO} along the 50 mol% silica tie line, (b) f_{NBO} along the 60 mol% silica tie line, and (c) the ratio N_{NBO}/[N_{Mg} + N_{Al_mcc}].
Fig20_log_viscosity_vs_R.agr
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Figure 20 shows the dependence of log_{10}(eta) versus the ratio R for the tie lines with approximately 52, 67 and 75 mol% silica at a temperature of 1600 degC.
FigS1_Sofk_ND_60molpc_SiO2.agr
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Figure S1 shows the neutron S(k) functions for the MgAS glasses with 60 mol% silica measured using SLS (black curves) or D4c (red curves).
FigS2_Sofk_ND_70molpc_SiO2.agr
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Figure S2 shows the neutron S(k) functions for the MgAS_7_76 glass and the MgAS glasses with 70 mol% silica measured using SLS (black curves) or D4c (red curves).
FigS3_Sofk_XRD_others_SiO2.agr
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Figure S3 shows the x-ray S(k) functions for the MgAS glasses with either 60 or 70 mol% silica (solid curves).
FigS4_Dofr … 50molpc_SiO2_part2.agr
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Figure S4 shows the fitted neutron D'(r) functions for several of the MgAS glasses with 50 mol% silica.
FigS5_Dofr … 50molpc_SiO2_part3.agr
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Figure S5 shows the fitted neutron D'(r) functions for several of the MgAS glasses with 50 mol% silica.
FigS6_Dofr … 50molpc_SiO2_part4.agr
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Figure S6 shows the fitted neutron D'(r) functions for several of the MgAS glasses with 50 mol% silica.
FigS8_Dofr … 60molpc_SiO2_part2.agr
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Figure S8 shows the fitted neutron D'(r) functions for several of the MgAS glasses with 60 mol% silica.
FigS9_Dofr_ND_other.agr
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Figure S9 shows the fitted neutron D'(r) functions for the MgAS_7_76 glass and the MgAS glasses with 70 mol% silica.
FigS10_Dofr_XRD_others.agr
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Figure S10 shows the fitted x-ray D'(r) functions for the MgAS glasses with either 60 or 70 mol% silica.
FigS11_Dofr_ND_tecto.agr
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Figure S11 shows the fitted neutron D'(r) functions for several of the MgAS glasses along the tectosilicate tie-line.
Fig21_hardness … SiO2_v6.agr
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Figure 21 shows the dependence of (a) the microhardness, (b) N_{NBO}/N_T, (c) N_{NBO}/[N_{Mg} + N_{Al_mcc}], and (d) the mean Al-O coordination number n_{Al}^{O} on the ratio R along the ~70 mol% silica tie-line.
Fig22_hardness … tecto_v4.agr
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Figure 22 shows the dependence of (a) the hardness measured in nanoindentation experiments using a Berkovich diamond tip, (b) N_{NBO}/N_T, (c) N_{NBO}/[N_{Mg} + N_{Al_mcc}], and (d) the mean Al-O coordination number n_{Al}^{O} on the mol% of silica for glasses on or near to the tectosilicate tie-line.
Fig12_CN_vs_R_v4.agr
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Figure 12 shows the dependence of the (a) Al-O and (b) Mg-O coordination numbers on the ratio R.
Fig14_CN_vs … 50molpc_v2.agr
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Figure 14 shows the dependence of the (a) Al-O and (b) Mg-O coordination numbers on the mol% of alumina along the tie-line with 50 mol% silica.
Fig16_CN_vs … 60molpc_v4.agr
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Figure 16 shows the dependence of the (a) Al-O and (b) Mg-O coordination numbers on the mol% of alumina along the tie-line with 60 mol% silica.
Fig18_CN_vs_SiO2_tecto_v5.agr
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Figure 18 shows the dependence of the (a) Al-O and (b) Mg-O coordination numbers on the mol% of silica along the tectosilicate tie-line where R = 1.
FigS7_Dofr … 60molpc_SiO2_part1.agr
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Figure S7 shows the fitted neutron D'(r) functions for several of the MgAS glasses with 60 mol% silica.
Fig11_bond_distance_vs_R_v3.agr
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Figure 11 shows the dependence of the (a) Si-O, (b) Al-O and (c) Mg-O bond distances on the ratio R.
Fig13_bond … Al2O3_50molpc_v3.agr
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Figure 13 shows the dependence of the (a) Si-O, (b) Al-O and (c) Mg-O bond distances on the mol% of alumina along the tie-line with 50 mol% silica.
Fig15_bond … Al2O3_60molpc_v3.agr
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Figure 15 shows the dependence of the (a) Si-O, (b) Al-O and (c) Mg-O bond distances on the mol% of alumina along the tie-line with 60 mol% silica.
Fig17_bond … SiO2_tecto_v4.agr
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Figure 17 shows the dependence of the (a) Si-O, (b) Al-O and (c) Mg-O bond distances on the mol% of silica along the tectosilicate tie-line where R = 1.
Contributors
University of Bath
Rights Holder
Coverage
Collection date(s):
From 12 January 2017 to 20 April 2022
Documentation
Data collection method:
The data sets were collected using the methods described in the published paper.
Technical details and requirements:
The figures were prepared using QtGrace (https://sourceforge.net/projects/qtgrace/). The data set corresponding to a plotted curve within an QtGrace file can be identified by clicking on that curve.
Additional information:
The files are labelled according to the corresponding figure numbers. The units for each axis are identified on the plots.
Funders
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
EPSRC Centre for Doctoral Training in Condensed Matter Physics
EP/L015544/1
ISIS Neutron and Muon Source
https://doi.org/10.13039/501100021200
ISIS/Diamond Facility Development Studentship
STU0173
Diamond Light Source
https://doi.org/10.13039/100011889
ISIS/Diamond Facility Development Studentship
STU0173
Royal Society
https://doi.org/10.13039/501100000288
Dorothy Hodgkin Research Fellowship - Rational Design of Glassy Materials with Technological Applications
DH140152
Structural role of magnesium in glass and glass-ceramics
CM00002159/SA/01
Royal Society
https://doi.org/10.13039/501100000288
The chameleon-like properties of magnesium in commercial glass
RGF\EA\180060
United States Department of Energy
https://doi.org/10.13039/100000015
Advanced Photon Source
DE-AC02-06CH11357
Publication details
Publication date: 9 December 2022
by: University of Bath
Version: 1
DOI: https://doi.org/10.15125/BATH-01139
URL for this record: https://researchdata.bath.ac.uk/id/eprint/1139
Related papers and books
Gammond, L. V. D., Mendes Da Silva, R., Zeidler, A., Mohammadi, H., Youngman, R. E., Aitken, B. G., Florian, P., Neuville, D. R., Hennet, L., Fischer, H. E., Hannon, A. C., Benmore, C. J., and Salmon, P. S., 2022. Structure and related properties of amorphous magnesium aluminosilicates. Physical Review Materials, 6(12). Available from: https://doi.org/10.1103/physrevmaterials.6.125603.
Related datasets and code
SALMON Philip Stephen, AITKEN Bruce G, BUSCEMI Michela, Henry E. Fischer, Lawrence Vincent Daniel Gammond, and ZEIDLER Anita, 2018. Structure of magnesium aluminosilicate glass. Institut Laue-Langevin (ILL). Available from: https://doi.org/10.5291/ILL-DATA.6-05-988.
SALMON Philip Stephen, BUSCEMI Michela, Henry E. Fischer, Lawrence Vincent Daniel Gammond, G S Moody, and ZEIDLER Anita, 2016. Structure of GeS2 Glass by Neutron Diffraction with Isotope Substitution. Institut Laue-Langevin (ILL). Available from: https://doi.org/10.5291/ILL-DATA.6-05-976.
SALMON Philip Stephen, ECKERT Hellmut, Henry E. Fischer, Lawrence Vincent Daniel Gammond, Rita Silva, Hesameddin Mohammadi, and ZEIDLER Anita, 2019. Structural change in phosphate-based glassy precursors to superionic conducting glass-ceramic electrolytes. Institut Laue-Langevin (ILL). Available from: https://doi.org/10.5291/ILL-DATA.6-05-1009.
SALMON Philip Stephen, AITKEN Bruce G, Henry E. Fischer, Lawrence Vincent Daniel Gammond, Rita Silva, Hesameddin Mohammadi, and ZEIDLER Anita, 2019. Structure of magnesium aluminosilicate glass by neutron diffraction with isotope substitution. Institut Laue-Langevin (ILL). Available from: https://doi.org/10.5291/ILL-DATA.6-05-1002.
GIRON LANGE Esther, COVA Federico Hector, CUELLO Gabriel Julio, Hesameddin Mohammadi, SALMON Philip Stephen, VAUGHAN Gavin, and ZEIDLER Anita, 2021. structure of aluminosilicate glasses by NDIS. Institut Laue-Langevin (ILL). Available from: https://doi.org/10.5291/ILL-DATA.INTER-562.
Professor Phil Salmon, Ms Michela Buscemi, Ms Caitlin Green, Mr Adam Hughes, Dr Alex Hannon, Mr Lawrence Gammond, and Dr Anita Zeidler, 2017. Structural role of magnesium in aluminosilicate glass. ISIS Facility. Available from: https://doi.org/10.5286/ISIS.E.RB1720342.
Dr Anita Zeidler, Dr Alex Hannon, Dr Bruce Aitken, Professor Phil Salmon, Mr Lawrence Gammond, and Miss Rita Silva, 2019. Hardness anomaly in magnesium aluminosilicate (MAS) glass. ISIS Facility. Available from: https://doi.org/10.5286/ISIS.E.RB1820424.
Contact information
Please contact the Research Data Service in the first instance for all matters concerning this item.
Contact person: Philip Salmon
Faculty of Science
Physics
Research Centres & Institutes
Centre for Nanoscience and Nanotechnology
