Data sets for the Frontiers in Materials article entitled "Structure of the intermediate phase glasses GeSe3 and GeSe4: The deployment of neutron diffraction with isotope substitution"

Data sets used to prepare Figures 1-13 in the Frontiers in Materials article entitled "Structure of the intermediate phase glasses GeSe3 and GeSe4: The deployment of neutron diffraction with isotope substitution." The figures show (i) the measured neutron diffraction results and (ii) a comparison of several of the neutron diffraction results with those obtained from first principles molecular dynamics simulations. The data sets were created using the methodology described in the manuscript. The files are labelled according to the figure numbers. Each of the plots was drawn 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. Once a data set has been identified, it can be exported in ASCII format via the DATA tab. The units for each axis are identified on the plots. An explanation of each figure is documented in the README file, and in the published paper.

Keywords:

Chalcogenide glass Glass structure Neutron diffraction Rigidity percolation Intermediate phase

Subjects:

Atomic and molecular physics

Scattering & Spectroscopy

Chemical measurement

Chemical Structure

Facility Development

Materials sciences

Materials Characterisation

Tools, technologies and methods

Scattering & Spectroscopy

Cite this dataset as:
Salmon, P., Zeidler, A., 2019. Data sets for the Frontiers in Materials article entitled "Structure of the intermediate phase glasses GeSe3 and GeSe4: The deployment of neutron diffraction with isotope substitution". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00638.

Export

Data

Fig1_totals_v2.agr
text/x-c (119kB)
Creative Commons: Attribution 4.0

Figure 1

Fig2_FODS_k-space_v2.agr
text/x-c (70kB)
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Figure 2

Fig3_FODS_r-space_v2.agr
text/x-c (169kB)
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Figure 3

Fig4_GeSe3 … tials_k-space_v2.agr
text/x-c (105kB)
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Figure 4

Fig5_dofr_v3.agr
text/x-c (459kB)
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Figure 5

Fig6_GeSe3_gofr.agr
text/x-c (125kB)
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Figure 6

Fig7_GeSe4 … tials_k-space_v3.agr
text/x-c (125kB)
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Figure 7

Fig8_GeSe4_gofr_v2.agr
text/x-c (144kB)
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Figure 8

Fig9_BT_partials_k-space_v2.agr
text/x-c (150kB)
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Figure 9

Fig11a_GeGe … k-space_v2.agr
text/x-c (243kB)
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Figure 11a

Fig11b_GeGe … r-space_v2.agr
text/x-c (106kB)
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Figure 11b

Fig12a_GeSe … k-space_v2.agr
text/x-c (270kB)
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Figure 12a

Fig12b_GeSe … r-space_v2.agr
text/x-c (104kB)
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Figure 12b

Fig13a_SeSe … k-space_v2.agr
text/x-c (269kB)
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Figure 13a

Fig13b_SeSe … r-space_v2.agr
text/x-c (107kB)
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Figure 13b

Fig10_BT_partials … wiggles.agr
text/x-c (543kB)
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Figure 10

Creators

Philip Salmon
University of Bath

0000-0001-8671-1011

Anita Zeidler
University of Bath

0000-0001-6501-8525

Contributors

University of Bath
Rights Holder

Documentation

Data collection method:

The data sets were collected using the methods described in the published paper.

Data processing and preparation activities:

The data sets were analysed using the methods described in the published paper.

Technical details and requirements:

Figures 1 - 13 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. Once a data set has been identified, it can be exported in ASCII format via the DATA tab.