Journal of Non-Crystalline Solids

Neutron diffraction dataset used for rmc modelling.

xrd data fitted by rmc.

Excel file with the results from the paper "Critical assessment of the alleged failure of the Classical Nucleation Theory at low temperatures". Each sheet in the file refers to a different glass batch. The column headings are: Td: development temperature; Tn: nucleation temperature; Reached Steady State: boolean variable, if 0 then steady-state was not reached, 1 otherwise; Ist: steady-state crystal nucleation rate; err_Ist: uncertainty in the steady-state crystal nucleation rate; tau: nucleation time-lag; err_tau: uncertainty in the nucleation time-lag; t0: time-shift of the nucleation density curve due to the double-stage heat treatment; DGv: change in Gibbs free energy due to crystal nucleation; viscosity: shear viscosity; err_viscosity: uncertainty in the shear viscosity; Dn: diffusion coefficient computed via Stokes-Einstein-Eyring equation; err_Dn: uncertainty in the diffusion coefficient; sigma: interfacial energy; err_sigma: uncertainty in the interfacial energy; d0: size of the diffusing structural units. All units in SI.

This matlab code contains the solver for the equations of the dissolution of chromia in Na2O-SiO2 liquids. The equations are solved using the finite volume method and integrated over time using an Euler explicit method with an adaptative time step. A simple 1D domaine is implemented. The spatial mesh and the accuracy of the solver can be modified in the Input.m file. To performed a calculation, modify the conditions into the Inputs.m file, be sure to get all of the required files specified in the Execute.m file in the same folder and execute the file Execute.m file. The results of the simulation are given in the "res" matrix (res(x,u,t)). res(:,1,:) = distance from the liquid/oxide interface (m) res(:,2,:) = atomic fraction of CrIII res(:,3,:) = atomic fraction of CrVI res(:,4,:) = chromia thickness (m) res(:,5,:) = partial pressure of O2 (atm) res(:,6,:) = atomic fraction of Si Q4 res(:,7,:) = atomic fraction of Si Q3 res(:,8,:) = atomic fraction of Si Q2 res(:,9,:) = atomic fraction of Na res(:,10,:) = velocity field in the liquid (m/s) res(:,11,:) = electric field in the liquid (V/m) The final result is save into the results_tf.txt file.

absorption and PL spectra

Here are the raw data in this study.

Processed and unprocessed data related to the Zr-Co alloy was added.

CW x-band EPR spectra for iron containing lead silicate glasses. See paper for more info.

Li-ISG - Precursor masses, density and particle Sizes.xlsx: Contains the masses of precursor oxides and carbonates used in the fabrication of the Li-ISG glasses, density measurements of the four pristine glass batches (measured using Archimedes' principle) and particle size distributions measured using light scattering. Li-ISG - EPMA.xlsx: Contains the pristine glass compositions measured through EPMA. Li-ISG - ICP-OES of pristine glass.xlsx: Contains the pristine glass composition measured through acid digestion then ICP-OES. The final compositions are given as a combination of the EPMA and ICP-OES results. Li-ISG - Leaching weighing, calibrations and times.xlsx: Gives the raw masses of glass powders and leachant used at the beginning of each dissolution experiment and the mass loss at the end of each experiment alongside the times recorded for each experiment and the individual glass surface area to leachant volume ratios (SA/V) calculated for each leaching vessel. Calibrations and calibration times for pH meters and pipettes are also given. The pH of the leachates at the end of each experiment are also reported. Li-ISG - ICP-MS.xlsx: Blank and leachate concentrations from the dissolution experiments. Li-ISG - XRD.xlsx: XRD analysis of the Li-ISG powders (pristine and leached). Li-ISG - 11B NMR spectra, fits and quantification.zip: Contains the 11B MAS-NMR spectra (.ASC) of the leached and pristine Li-ISG glasses, as well as the fit files for fitting the spectra in DMFIT software. Li-ISG and Li-Mg-EM - 6Li-1H CP-NMR spectra.zip: Contains the .ASC spectra files for the 6Li-1H spectra. Li-ISG and Li-Mg-EM - 23Na NMR spectra, fits and quantification.zip: Contains the .ASC spectra files for the 23NA NMR spectra as well as the Igor Pro quantification files and results.

Related Article: Ilya V. Taydakov, Alina A. Akkuzina, Roman I. Avetisov, Andrew V. Khomyakov, Rasim R. Saifutyarov, Igor Ch. Avetissov|2016|J.Lumin.|177|31|doi:10.1016/j.jlumin.2016.04.017