A single sentence description.
|Model driver for Tersoff-style potentials ported from LAMMPS v004|
Model driver that supports parametrizations of the Tersoff-style three-body potential. It is ported from LAMMPS and supports the same format for parameter files. The commonly used variants by Tersoff and Nord/Albe/Erhart/Nordlund are supported, see source citations for details.|
Optionally, a Ziegler-Biersack-Littmark potential for short interatomic distances can be smoothly joined via a Fermi function. This functionality mirrors the tersoff/zbl variant in LAMMPS.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|Content Origin||Ported from LAMMPS|
Aidan P. Thompson
David E. Farrell
James F. Ziegler
Jochen P. Biersack
This Model Driver originally published in [1-4] is archived in OpenKIM [5-7].
 Tersoff J. New empirical approach for the structure and energy of covalent systems. Phys Rev B. 1988;37(12):6991–7000. doi:10.1103/PhysRevB.37.6991 — (Primary Source) A primary source is a reference directly related to the item documenting its development, as opposed to other sources that are provided as background information.
 Tersoff J. Modeling solid-state chemistry: Interatomic potentials for multicomponent systems. Phys Rev B. 1989;39:5566–8. doi:10.1103/PhysRevB.39.5566 — (Primary Source) A primary source is a reference directly related to the item documenting its development, as opposed to other sources that are provided as background information.
 Nord J, Albe K, Erhart P, Nordlund K. Modelling of compound semiconductors: analytical bond-order potential for gallium, nitrogen and gallium nitride. J Phys: Condens Matter. 2003;15:5649. doi:10.1088/0953-8984/15/32/324 — (Primary Source) A primary source is a reference directly related to the item documenting its development, as opposed to other sources that are provided as background information.
 Ziegler JF, Biersack JP, Littmark U. The Stopping and Range of Ions in Matter. New York: Pergamon; 1985. — (Primary Source) A primary source is a reference directly related to the item documenting its development, as opposed to other sources that are provided as background information.
 Model driver for Tersoff-style potentials ported from LAMMPS v004. OpenKIM; 2021. doi:10.25950/57484673
 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
 Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563aClick here to download the above citation in BibTeX format.
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|Extended KIM ID
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|KIM Item Type||Model Driver|
|KIM API Version||2.2|
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