/garnet-lgmc-data

Dataset for garnet-lattice lattice-gas Monte Carlo simulations

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Dataset for “Lattice-Geometry Effects in Garnet Solid Electrolytes: A Lattice-Gas Monte Carlo Simulation Study”

DOI RSOS CircleCI

Benjamin J. Morgan.

This repository contains lattice-gas Monte Carlo simulation data and supporting code for the paper “Lattice-Geometry Effects in Garnet Solid Electrolytes: A Lattice-Gas Monte Carlo Simulation Study” [1].

The repository contains:

  1. the complete data set used to support the findings of the study.
  2. example scripts for running lattice_mc simulations on a garnet lattice, and collating the output data.
  3. a Jupyter notebook containing the code used to generate Figures 2–A4 in the manuscript.

Simulations

Example scripts for running lattice-gas Monte Carlo simulations on a garnet lattice. These scripts use the lattice_mc lattice-gas Monte Carlo code. Full details are given in the README.md.

Data

The complete data set produced for this study.

Analysis

A Jupyter notebook containing all numerical analysis presented in the manuscript, and code to generate Figs. 2–A4.

Figures

PDF versions of the figures generated by the analysis notebook.

Citing this dataset

Cite as:

Morgan, Benjamin J. (2017, July 2). Dataset for "Lattice-Geometry Effects in Garnet Solid Electrolytes: A Lattice-Gas Monte Carlo Simulation Study". Zenodo. http://doi.org/10.5281/zenodo.821864.

BibTeX

@misc{morgan_benjamin_j_2017_821864,
  author       = {Morgan, Benjamin J.},
  title        = {{Dataset for "Lattice-Geometry Effects in Garnet 
                   Solid Electrolytes: A Lattice-Gas Monte Carlo
                   Simulation Study"}},
  month        = jul,
  year         = 2017,
  doi          = {10.5281/zenodo.821864},
  url          = {https://doi.org/10.5281/zenodo.821864}
}

Acknowledgements

B. J. M. acknowledges support from the Royal Society (UF130329).

References

  1. B. J. Morgan Lattice-Geometry Effects in Garnet Solid Electrolytes: A Lattice-Gas Monte Carlo Simulation Study. R. Soc. open sci. 4: 170824. (2017).