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LAMMPS adiabatic core-shell model for the Ca-F system developed by Mitchell and Fincham (1993) v000
https://doi.org/10.25950/8944bd95
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This is a LAMMPS adiabatic core/shell model tested for simulations of F- diffusion in CaF2, developed by Mitchell and Fincham in 1993. The version with x=0.1 (shell mass fraction) is used.
KIM ID:
SM_676649151762_000
Extended KIM ID:
Sim_LAMMPS_CoreShell_MitchellFincham_1993_CaF__SM_676649151762_000
P. J. Mitchell
David Fincham
I Nikiforov
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OpenKIM
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DOI registered
December 22, 2023
via DataCite
Software published 2023 in
Open Knowledgebase of Interatomic Models (OpenKIM)
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