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The potential of atomistic simulations and the knowledgebase of interatomic models

✍ Scribed by E. B. Tadmor; R. S. Elliott; J. P. Sethna; R. E. Miller; C. A. Becker


Publisher
The Minerals, Metals & Materials Society
Year
2011
Tongue
English
Weight
561 KB
Volume
63
Category
Article
ISSN
1047-4838

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πŸ“œ SIMILAR VOLUMES


Interatomic potential models for natural
✍ J. A. L. Rabone; N. H. De Leeuw πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 319 KB

## Abstract A comprehensive set of interatomic potential parameters for modeling natural apatite crystals is presented. These potentials build on those previously used in research on apatites with new potentials fitted empirically to crystal structures and their properties using the GULP program. W