Quantification of local geometry and local symmetry in models of disordered materials
We suggest two metrics for assessing the quality of atomistic configurations of disordered materials, both of which are based on quantifying the orientational distribution of neighbours around each atom in the configuration. The first metric is that of geometric invariance: i.e., the extent to which...
| Main Authors: | , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
2013
|