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ThreeBodyBondOrder_WR__MD_817691861922_000

Title
A single sentence description.
Three-body bond-order (Tersoff-style) potential by Wang and Rockett (1991) v000
Description A modified form of the Tersoff empirical interatomic potential originally developed to model silicon surfaces. It includes a screened-Morse-potential tail to the bulk Tersoff interaction behavior which is important when tetrahedral coordination is disrupted.
Disclaimer
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Contributor ramanish
Maintainer ramanish
Author Ramanish Singh
Publication Year 2019
Item Citation

This Model Driver originally published in [1] is archived in OpenKIM [2-4].

[1] Wang J, Rockett A. Simulating diffusion on Si(001) 2x1 surfaces using a modified interatomic potential. Phys Rev B. 1991;43(15):12571–9. doi:10.1103/PhysRevB.43.12571

[2] Singh R. Three-body bond-order (Tersoff-style) potential by Wang and Rockett (1991) v000. OpenKIM; 2019. doi:10.25950/29dfb23c

[3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Short KIM ID
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MD_817691861922_000
Extended KIM ID
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ThreeBodyBondOrder_WR__MD_817691861922_000
DOI 10.25950/29dfb23c
https://doi.org/10.25950/29dfb23c
https://search.datacite.org/works/10.25950/29dfb23c
KIM Item TypeModel Driver
KIM API Version2.0
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% C



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Wiki Contributors
2019-05-09T10:43:28.491643 tadmor
2019-05-08T22:29:18.191398 ramanish
2019-05-08T22:28:30.134496 ramanish
2019-05-08T22:28:10.409265 ramanish
2019-05-08T22:27:50.117024 ramanish
2019-05-08T22:27:25.131713 ramanish
2019-05-08T22:13:13.669810 ramanish
2019-05-08T22:10:34.715777 ramanish
2019-05-08T22:05:56.524903 ramanish