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ThreeBodyBondOrder_PPM__MD_184422512875_000

Title
A single sentence description.
Three-body bond-order (Tersoff-style) potential by Purja Pun and Mishin (2017) v000
Description This is a model driver for an optimized interatomic potential based on a modified Tersoff form originally constructed for bulk silicon and 2D silicon (silicene). The silicon potential reproduces a wide range of properties of Si and improves over existing potentials with respect to point defect structures and energies, surface energies and reconstructions, thermal expansion, melting temperature and other properties.
Disclaimer
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None
Contributor MKChoi
Maintainer MKChoi
Author Moon-ki Choi
Publication Year 2019
Item Citation

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

[1] Pun GPP, Mishin Y. Optimized interatomic potential for silicon and its application to thermal stability of silicene. Phys Rev B. 2017;95(22):224103. doi:10.1103/PhysRevB.95.224103

[2] Choi M-ki. Three-body bond-order (Tersoff-style) potential by Purja Pun and Mishin (2017) v000. OpenKIM; 2019. doi:10.25950/23639742

[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
The unique KIM identifier code.
MD_184422512875_000
Extended KIM ID
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ThreeBodyBondOrder_PPM__MD_184422512875_000
DOI 10.25950/23639742
https://doi.org/10.25950/23639742
https://search.datacite.org/works/10.25950/23639742
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
2019-05-13T20:29:50.625747 tadmor
2019-05-08T11:56:28.431089 MKChoi
2019-05-07T13:21:01.679655 MKChoi
2019-05-07T13:14:10.438902 MKChoi
2019-05-07T13:13:30.885880 MKChoi
2019-05-06T20:23:14.706278 MKChoi
2019-05-06T17:13:13.301250 MKChoi
2019-05-06T17:11:42.491497 MKChoi