Data sets for the Journal of Statistical Mechanics: Theory and Experiment article entitled "Ordering on different length scales in liquid and amorphous materials"

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Fig3_CC_partials_v2.agr

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Fig4_NC_partials.agr

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Fig2_NN_partials_v5.agr

data 11390 6 33107 document 11390 Fig7_decay_AuSi_vs_ZnCl2.agr text/plain 93d0b53048803f1f4eab47f335820468 MD5 175830 2019-06-03 12:54:13 https://researchdata.bath.ac.uk/600/13/Fig7_decay_AuSi_vs_ZnCl2.agr 600 13 7 text/plain other Figure 7 en public cc_by

Fig7_decay_AuSi_vs_ZnCl2.agr

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Fig8_AA_partials_landscape_v4.agr

data 11393 7 33113 document 11393 Fig10_AX_partials_v2.agr text/plain 4dc19b2ca52a6d9739c7222eb8b448e7 MD5 61843 2019-06-03 12:55:27 https://researchdata.bath.ac.uk/600/16/Fig10_AX_partials_v2.agr 600 16 10 text/plain other Figure 10 en public cc_by

Fig10_AX_partials_v2.agr

data 11394 7 33115 document 11394 Fig12_BAD_ClClCl_vs_hard_sphere.agr text/plain 9434493ef67a2fdb450e1fee2debdad6 MD5 40307 2019-06-03 12:55:47 https://researchdata.bath.ac.uk/600/17/Fig12_BAD_ClClCl_vs_hard_sphere.agr 600 17 11 text/plain other Figure 12 en public cc_by

Fig12_BAD_ClClCl_vs_hard_sphere.agr

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Fig9_XX_partials_landscape_v2.agr

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Fig1_Sofk_v6.agr

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Fig6_SNN_pressure_v2.agr

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Fig5_MXM_angle_fragility_v3.agr

data archive 479 disk0/00/00/06/00 2019-09-06 09:31:17 2024-05-14 13:11:12 2019-09-06 09:31:17 data_collection show Salmon Philip P.S.Salmon@bath.ac.uk 0000-0001-8671-1011 University of Bath TRUE Zeidler Anita A.Zeidler@bath.ac.uk 0000-0001-6501-8525 University of Bath TRUE Data sets for the Journal of Statistical Mechanics: Theory and Experiment article entitled "Ordering on different length scales in liquid and amorphous materials" BS0050 CG0020 EM0050 GE0030 KS0160 dept_physics The files are labelled according to the corresponding figure numbers. The units for each axis are identified on the plots. Data sets used to prepare Figures 1-10 & 12 in the Journal of Statistical Mechanics: Theory and Experiment article entitled "Ordering on different length scales in liquid and amorphous materials". Figure 1 shows representative structure factors S(k) for several amorphous materials plotted as a function of kd where d is the nearest-neighbour distance. Figure 2 shows the number-number partial structure factor S_{NN}(k) measured for amorphous silicon (solid curve), amorphous germanium (broken [red] curve) and the network-forming glasses SiO_2, GeO_2, ZnCl_2 and GeSe_2, plotted as a function of kd where d is the Si-Si or Ge-Ge bond distance for amorphous silicon and germanium, respectively, or the A-X bond distance for the network glasses. Figure 3 shows the measured concentration-concentration partial structure factor S_{CC}(k) for glassy SiO_2, GeO_2, ZnCl_2 and GeSe_2, plotted as a function of kd where d = r_{AX} is the A-X bond distance. Figure 4 shows the measured number-concentration partial structure factor S_{NC}(k) for glassy SiO_2, GeO_2, ZnCl_2 and GeSe_2, plotted as a function of kd where d = r_{AX} is the A-X bond distance. Figure 5 shows (a) the measured fragility index m as a function of the bond angle θ_{AXA}^{CS} for several AX_2 glass-forming systems; (b) the dependence of the height ratio of the peaks in S_{NN}(k) at k_1 and k_2 on the bond angle θ_{AXA}^{CS}; and (c) the A-X-A bond angle distribution n(θ_{AXA}) calculated using a polarisable ion model. Figure 6 shows the pressure dependence of the measured total structure factor S(k) for glassy (a) ^{73}GeO_2 and (b) GeSe_2 plotted as a function of kd, where d = r_AX is the A-X bond distance. In (a) the neutron S(k) function is given for glassy ^{73}GeO_2, and in (b) the neutron S(k) function is compared to the X-ray S(k) function for glassy GeSe_2. In all cases, S(k) ≃ S_{NN}(k). Figure 7 shows the decay of the total and number-number pair-distribution functions for liquid Au_{0.81}Si_{0.19} and glassy ZnCl_2. Figure 8 shows the measured partial structure factor S_{AA}(k) for glassy SiO_2, GeO_2, ZnCl_2 and GeSe_2, plotted as a function of kd where d = r_{AA}^{CS} is the nearest-neighbour distance for corner-sharing tetrahedra. Also shown is S(k) versus kd for amorphous silicon and germanium where d = r_{SiSi} or d = r_{GeGe}, and S_{OO}(k) versus kd for LDA ice where d = r_{OO}. Figure 9 shows the measured partial structure factor S_{XX}(k) for glassy SiO_2, GeO_2, ZnCl_2 and GeSe_2, plotted as a function of kd where d = r_{XX} is the position of the first major peak in the corresponding partial pair-distribution function g_{XX}(r). Figure 10 shows the measured partial structure factor S_{AX}(k) for glassy SiO_2, GeO_2, ZnCl_2 and GeSe_2, plotted as a function of kd where d = r_{AX} is the A-X bond distance obtained from the first peak in the corresponding partial pair-distribution function g_{AX}(r). Figure 12 shows a comparison between the Cl-Cl-Cl bond angle distribution for glassy ZnCl_2 generated by the reverse Monte Carlo (RMC) method, the bond angle distribution obtained from a hard sphere Monte Carlo (HSMC) simulation of the glass, and the bond angle distribution obtained from the large 7934 sphere random close packing model of Bernal and co-workers. 2019-09-06 University of Bath public RightsHolder University of Bath Royal Society https://doi.org/10.13039/501100000288 DH140152 Dorothy Hodgkin Research Fellowship - Rational Design of Glassy Materials with Technological Applications cent_nan cent_netcb The data sets were collected using the methods described in the published paper. The data sets were analysed using the methods described in the published paper. Figures 1 - 10 & 12 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. https://doi.org/10.1088/1742-5468/ab3cce en 1 10.15125/BATH-00600 https://doi.org/10.1088/1742-5468/ab3cce pub open