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 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
Chemical measurement
Facility Development
Materials sciences
Tools, technologies and methods

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". University of Bath Research Data Archive. https://doi.org/10.15125/BATH-00664.

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)
Creative Commons: Attribution 4.0

Figure 2

Fig3_FODS_r-space_v2.agr
text/x-c (169kB)
Creative Commons: Attribution 4.0

Figure 3

Fig4_GeSe3_part ... _k-space_v2.agr
text/x-c (105kB)
Creative Commons: Attribution 4.0

Figure 4

Fig5_dofr_v3.agr
text/x-c (459kB)
Creative Commons: Attribution 4.0

Figure 5

Fig6_GeSe4_part ... _k-space_v3.agr
text/plain (125kB)
Creative Commons: Attribution 4.0

Figure 6

Fig7_GeSe3_gofr.agr
text/plain (128kB)
Creative Commons: Attribution 4.0

Figure 7

Fig8_GeSe4_gofr_v2.agr
text/x-c (144kB)
Creative Commons: Attribution 4.0

Figure 8

Fig9_BT_partial ... _k-space_v2.agr
text/x-c (150kB)
Creative Commons: Attribution 4.0

Figure 9

Fig10_BT_partia ... _v2_wiggles.agr
text/x-c (543kB)
Creative Commons: Attribution 4.0

Figure 10

Fig11a_GeGe_ND_ ... _k-space_v2.agr
text/x-c (243kB)
Creative Commons: Attribution 4.0

Figure 11a

Fig11b_GeGe_ND_ ... _r-space_v2.agr
text/x-c (106kB)
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Figure 11b

Fig12a_GeSe_ND_ ... _k-space_v2.agr
text/x-c (270kB)
Creative Commons: Attribution 4.0

Figure 12a

Fig12b_GeSe_ND_ ... _r-space_v2.agr
text/x-c (104kB)
Creative Commons: Attribution 4.0

Figure 12b

Fig13a_SeSe_ND_ ... _k-space_v2.agr
text/x-c (269kB)
Creative Commons: Attribution 4.0

Figure 13a

Fig13b_SeSe_ND_ ... _r-space_v2.agr
text/x-c (107kB)
Creative Commons: Attribution 4.0

Figure 13b

Creators

Philip Salmon
University of Bath

Anita Zeidler
University of Bath

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.

Additional information:

As compared to version 1, the order of figures 6 & 7 has been reversed.

Documentation Files

README.txt
text/plain (6kB)
Creative Commons: Attribution 4.0

Funders

Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266

Hot Networks under Pressure: From Structure to Designer Glass
EP/J009741/1

Rational design of glassy materials with technological applications
Royal Society - EPSRC Dorothy Hodgkin Research Fellowship

Publication details

Publication date: 29 May 2019
by: University of Bath

Version: 2

This is the latest version of this item.

  • Version 1. (24 May 2019)
  • Version 2. (29 May 2019) [Currently Displayed]

DOI: https://doi.org/10.15125/BATH-00664

URL for this record: https://researchdata.bath.ac.uk/id/eprint/664

Contact information

Please contact the Research Data Service in the first instance for all matters concerning this item.

Contact person: Philip Salmon

Departments:

Faculty of Science
Physics

Research Centres & Institutes
Centre for Nanoscience and Nanotechnology
Centre for Networks and Collective Behaviour
Condensed Matter Physics CDT