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EAM potential with cubic splines function for both pairwise repulsive part and atom pair density
Description EAM potential for bcc metals, with cubic splines for pairwise repulsive part and embedded atom pair density. Generalized to be used with two different functional forms for embedding function. For studying atomic defects at moderate temperatures. Also includes option to read in short range Biersack-Ziegler Coloumb potential and associated interpolating function to link to outer EAM part - useful for cascade simulations.
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Contributor Mark R. Gilbert
Maintainer Mark R. Gilbert
Published on KIM 2014
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
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Citable Link https://openkim.org/cite/MD_620624592962_001
KIM Item TypeModel Driver
KIM API Version1.6
Programming Language(s)
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100.00% Fortran
Previous Version model_driver_PF_cubic_splines__MD_620624592962_000

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