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LAMMPS BOP potential for the Al-Cu-H system developed by Zhou, Ward and Foster (2018) v000
https://doi.org/10.25950/e23e8466
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This is an Al–Cu–H bond-order potential developed according to the formalism implemented in the molecular dynamics code LAMMPS. It was developed to enable fundamental studies of mechanical behavior of Al–Cu alloys under hydrogen environments.
KIM ID:
SM_834012669168_000
Extended KIM ID:
Sim_LAMMPS_BOP_ZhouWardFoster_2018_AlCuH__SM_834012669168_000
Xiaowang Zhou
Don Ward
Michael Foster
I Nikiforov
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OpenKIM
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Sandia National Laboratories
SAND2014-3909
DOI registered
June 5, 2022
via DataCite
Software published 2022 in
Open Knowledgebase of Interatomic Models (OpenKIM)
Software