- Abstract:
-
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 the neighbour arrangements are as similar as possible for different atoms, allowing for variations in frame of reference. The second metric concerns the degree of local symmetry. We propose that f...
Expand abstract - Publication status:
- Published
- Publisher copy:
- 10.1002/pssb.201248553
-
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- Journal:
- PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
- Volume:
- 250
- Issue:
- 5
- Pages:
- 949-956
- Publication date:
- 2013-05-05
- DOI:
- EISSN:
-
1521-3951
- ISSN:
-
0370-1972
- URN:
-
uuid:e9df026b-1976-4257-9814-3d8ec15b5a00
- Source identifiers:
-
405815
- Local pid:
- pubs:405815
- Language:
- English
- Keywords:
- Copyright date:
- 2013
Journal article
Quantification of local geometry and local symmetry in models of disordered materials
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