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LAMMPS ReaxFF potential for Ceria/Silica/Water/NaCl developed by Brugnoli et al. (2023) v000
https://doi.org/10.25950/89e866e6
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This reaxff potential was developed with the aim to describe the chemical mechanical polishing of ceria on silica glass surfaces, including the presence of water or HCl/NaOH solutions.
KIM ID:
SM_282799919035_000
Extended KIM ID:
Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000
Luca Brugnoli
Katsuaki Miyatani
Masatoshi Akaji
Shingo Urata
Maria Cristina Menziani
Alfonso Pedone
Luca Brugnoli
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OpenKIM
Registration Agency
DOI registered
August 15, 2023
via DataCite
Software published 2023 in
Open Knowledgebase of Interatomic Models (OpenKIM)
Software