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Tersoff potentials for large deformation pathways and fracture of MoSe2 v000
https://doi.org/10.25950/96c2a6b3
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3-body Tersoff potential for monolayered and multilayered MoSe2. Best used for thermal and mechanical properties of this material, esp. uniaxial tension, crack propagation, thermal conductivity, vacancy energy, surface energy, phonon dispersion.
KIM ID:
MO_152208847456_000
Extended KIM ID:
Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_000
Xu Zhang
Hoang Nguyen
Hoang T. Nguyen
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OpenKIM
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DOI registered
July 8, 2021
via DataCite
Software published 2021 in
Open Knowledgebase of Interatomic Models (OpenKIM)
Software