Generating time series of synthetic structure factor snapshots (polymeric spinodal decomposition)

If cited by a publication co-authored by Matthew Jones (https://orcid.org/0000-0003-2995-8303), this repository contains the raw data required to derive the results in the publication.

The 'Simulations' folder contains the Julia code we used to simulate spinodal decomposition and dissolution (see comment on line 288). The code uses parallel processing where possible and calculates the power spectrum of the microstructure at regular intervals. We ran the code on Stanage, the University of Sheffield's high-performance computer. We used shell scripts to pass parameter values and implement repeat simulations on different nodes.

The 'Data' folder contains the time series of power spectrum snapshots from which we generated the synthetic structure factor snapshots. Each text file contains 2001 power spectrum snapshots (saved row-wise). The number of columns corresponds to the number of k-values, which depends on the spatial discretisation, dx, used in the simulations.

If more information is required, please contact the corresponding author of the publication that cites this repository. The methodology for generating and using the data should be outlined in the publication. If, for some reason, this is not the case, please refer to Matthew Jones' PhD thesis: https://etheses.whiterose.ac.uk/id/eprint/36503/.

Useful links:

• Stanage HPC documentation: https://docs.hpc.shef.ac.uk/en/latest/stanage/index.html#gsc.tab=0
• Sheffield RSE: https://rse.shef.ac.uk/
• Julia: https://julialang.org/
• Julia CUDA: https://cuda.juliagpu.org/stable/
• Julia performance tips: https://docs.julialang.org/en/v1/manual/performance-tips/