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EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_002

Interatomic potential for Aluminum (Al).
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Title
A single sentence description.
EAM potential (cubic natural spline tabulation) for Al developed by Ercolessi and Adams (1994) v002
Description
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 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.
Species
The supported atomic species.
Al
Disclaimer
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 training 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 (cubic natural spline tabulation) for Al developed by Ercolessi and Adams (1994) v002. OpenKIM; 2018. doi:10.25950/376e3e7e

[3] Wen M, Tadmor EB, Elliott RS, Whalen S. Cubic-Natural-Spline EAM Model Driver for tabulated potentials with cubic natural spline interpolation v002. OpenKIM; 2018. doi:10.25950/4cf7be5a

[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.
Citations

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This panel provides information on past usage of this interatomic potential (IP) powered by the OpenKIM Deep Citation framework. The word cloud indicates typical applications of the potential. The bar chart shows citations per year of this IP (bars are divided into articles that used the IP (green) and those that did not (blue)). The complete list of articles that cited this IP is provided below along with the Deep Citation determination on usage. See the Deep Citation documentation for more information.

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