Skip to content

Commit

Permalink
Paper update
Browse files Browse the repository at this point in the history
  • Loading branch information
connorourke committed Jun 21, 2019
1 parent 6a694b7 commit cd0fc87
Show file tree
Hide file tree
Showing 2 changed files with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion paper/paper.md
Original file line number Diff line number Diff line change
Expand Up @@ -24,7 +24,8 @@ bibliography: paper.bib
---
# Summary

`crystal-torture` is a Python, Fortran, and OpenMP module for the analysis of diffusion networks in crystal structures. Ionic diffusion through crystalline solids depends not only on the dynamics of ions within the crystal, but also the connectivity of the transport network. `crystal-torture` provides a [Python API](https://crystal-torture.readthedocs.io/en/latest/) for interrogating network connectivity and diffusion pathways in partially blocked crystal structures. It can be used as a tool for materials scientists to quickly build up network connectivity statistics to determine the viability of potential ionic conductors, before the use of more computationally expensive approaches modelling the full dynamics.
`crystal-torture` is a Python, Fortran, and OpenMP module for the analysis of diffusion networks in crystal structures. Ionic diffusion through crystalline solids depends not only on the dynamics of ions within the crystal, but also the connectivity of the transport network. Understanding how the connectivity of diffusion pathways in crystal structures is affected by changes in chemistry is necessary for understanding how chemical modifications change ionic conductivities, for example the doping of solid electrolytes.
`crystal-torture` provides a [Python API](https://crystal-torture.readthedocs.io/en/latest/) for interrogating network connectivity and diffusion pathways in partially blocked crystal structures. It can be used as a tool for materials scientists to quickly build up network connectivity statistics to determine the viability of potential ionic conductors, and how chemical modification affects network connectivity, before the use of more computationally expensive approaches modelling the full dynamics.


# Scientific Context
Expand Down
Binary file modified paper/paper.pdf
Binary file not shown.

0 comments on commit cd0fc87

Please sign in to comment.