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Interatomic potential for Aluminum (Al).
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A single sentence description.
EAM potential (quintic hermite tabulation) for Al developed by Ercolessi and Adams (1994) v002
A short description of the Model describing its key features including for example: type of model (pair potential, 3-body potential, EAM, etc.), modeled species (Ac, Ag, ..., Zr), intended purpose, origin, and so on.
This is an EAM_Dynamo parameterization for pure aluminum due to F. Ercolessi and J. B. Adams. The potential was developed using the "force-matching method", which includes forces from first-principles calculations in the fitting data base. The potential was fitted to properties of face-centered cubic (fcc) crystals.
The supported atomic species.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
By design, this potential is not expected to be accurate for geometries with extremely low coordination -- such as small molecules -- which were not included in the input set.
Contributor Ryan S. Elliott
Maintainer Ryan S. Elliott
Developer F. Ercolessi
J. B. Adams
Published on KIM 2018
How to Cite

This Model originally published in [1] is archived in OpenKIM [2-5].

[1] Ercolessi F, Adams JB. Interatomic Potentials from First-Principles Calculations: The Force-Matching Method. Europhysics Letters. 1994;26(8):583. doi:10.1209/0295-5075/26/8/005 — (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.

[2] Ercolessi F, Adams JB. EAM potential (quintic hermite tabulation) for Al developed by Ercolessi and Adams (1994) v002. OpenKIM; 2018. doi:10.25950/5939d2fc

[3] Wen M, Tadmor EB, Elliott RS, Whalen S. EAM Model Driver with quintic Hermite spline interpolation v003. OpenKIM; 2018. doi:10.25950/cf6bf2f6

[4] 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

[5] 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.

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