https://github.com/bjmorgan/garnet-lgmc-data
Dataset for garnet-lattice lattice-gas Monte Carlo simulations
Science Score: 23.0%
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○CITATION.cff file
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○.zenodo.json file
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✓DOI references
Found 14 DOI reference(s) in README -
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Links to: joss.theoj.org, zenodo.org -
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○Scientific vocabulary similarity
Low similarity (8.6%) to scientific vocabulary
Last synced: 10 months ago
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Dataset for garnet-lattice lattice-gas Monte Carlo simulations
Basic Info
- Host: GitHub
- Owner: bjmorgan
- License: cc-by-sa-4.0
- Language: Jupyter Notebook
- Default Branch: master
- Size: 19.7 MB
Statistics
- Stars: 3
- Watchers: 3
- Forks: 0
- Open Issues: 0
- Releases: 0
Created about 9 years ago
· Last pushed about 8 years ago
https://github.com/bjmorgan/garnet-lgmc-data/blob/master/
# Dataset for “Lattice-Geometry Effects in Garnet Solid Electrolytes: A Lattice-Gas Monte Carlo Simulation Study”
[](https://zenodo.org/badge/latestdoi/93930678)
[](http://dx.doi.org/10.1098/rsos.170824)
[](https://circleci.com/gh/bjmorgan/garnet-lgmc-data)
[Benjamin J. Morgan.](http://orcid.org/0000-0002-3056-8233)
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](http://dx.doi.org/10.1098/rsos.170824)” [1].
The repository contains:
1. the complete data set used to support the findings of the study.
2. example scripts for running [`lattice_mc`](http://joss.theoj.org/papers/6940b7bb0d59be86b8823a10780caae0) simulations on a garnet lattice, and collating the output data.
3. a [Jupyter notebook](analysis/garnet_LGMC.ipynb) containing the code used to generate Figures 2–A4 in the manuscript.
## [Simulations](simulations)
Example scripts for running lattice-gas Monte Carlo simulations on a garnet lattice. These scripts use the [`lattice_mc`](http://joss.theoj.org/papers/6940b7bb0d59be86b8823a10780caae0) lattice-gas Monte Carlo code. Full details are given in the [`README.md`](simulations/README.md).
## [Data](data)
The complete data set produced for this study.
## [Analysis](analysis)
A [Jupyter notebook](analysis/garnet_LGMC.ipynb) containing all numerical analysis presented in the manuscript, and code to generate Figs. 2–A4.
## [Figures](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)](http://dx.doi.org/10.1098/rsos.170824).
Owner
- Name: Benjamin Morgan
- Login: bjmorgan
- Kind: user
- Location: Bath, UK
- Company: University of Bath
- Repositories: 73
- Profile: https://github.com/bjmorgan
Computational Chemistry at the University of Bath, UK.