Tracking boron coordination change with temperature in a barium borosilicate glass melt by neutron diffraction

Abstract

Gudrun input files and numerical data for the neutron structure factors SN(Q) and total correlation functions TN(r). Pertaining to the publication Alderman, O.L.G., Tracking boron coordination change with temperature in a barium borosilicate glass melt by neutron diffraction, Phys. Rev. Mater., 2025: Accepted. DOI: https://doi.org/10.1103/slv2-dtwz The file Run_summary.txt relates the filenames to the sample compositions in the publication, the temperatures at which they were measured and the cell material, as well as to the leading run numbers for each 'sample' in the Gudrun input files. Note that in the original upload the SN(Q) mint01 files suffered from rounding errors. This has been corrected herein, on 02/10/2025.RB231067