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EAM potential (magnetic, cubic tabulation) for Mo developed by Derlet, Nguyen-Manh and Dudarev (2007) v002
https://doi.org/10.25950/2afad7cc
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Parameterization for bcc Mo for the cubic splines EAM model driver. Fitted to various point defect energies and bulk properties (see Derlet et al. PRB 2007, for more details).
KIM ID:
MO_424746498193_002
Extended KIM ID:
EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002
Sergei Dudarev
Peter Derlet
Duc Nguyen-Manh
Mark R. Gilbert
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OpenKIM
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DOI registered
December 28, 2018
via DataCite
Software published 2018 in
Open Knowledgebase of Interatomic Models (OpenKIM)
Software