This repository contains data analysis that supports the findings reported in C. O’Rourke and B. J. Morgan, “Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4”, and code for plotting figures in this paper.
The repository consists of
- A series of .csv files, containing data extracted from VASP calculations. The inputs and outputs for the source VASP calculations, along with scripts for extracting the relevant data, are available at the University of Bath Data Archive (https://doi.org/10.15125/BATH-00438).
- A Jupyter notebook that constructs the figures in the manuscript from the .csv data.
|Date made available||1 Dec 2017|