Second-generation charge-optimized many-body potential for Si/SiO2 and amorphous silica

Shan, Tzu-Ray; Devine, Bryce D.; Hawkins, Jeffery M.; Asthagiri, Aravind; Phillpot, Simon R.; Sinnott, Susan B.

doi:10.1103/PhysRevB.82.235302

Title: Second-generation charge-optimized many-body potential for $Si / {SiO}_{2}$ and amorphous silica

Journal Article · Wed Dec 01 00:00:00 EST 2010 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.82.235302· OSTI ID:1380876

Shan, Tzu-Ray; Devine, Bryce D.; Hawkins, Jeffery M.; Asthagiri, Aravind; Phillpot, Simon R.; Sinnott, Susan B.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Atomic-Level Catalyst Design (CALCD)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: SC0001058

OSTI ID:: 1380876

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 82, Issue 23; Related Information: CALCD partners with Louisiana State University (lead); Clemson University; University of Florida; Georgia Institute of Technology; Grambling State University; Oak Ridge National Laboratory; Ohio State University; Pennsylvania State; Texas A&M University; Vienna University of Technology, Austria; University of Utrecht, Netherlands; ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

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Title: Second-generation charge-optimized many-body potential for Si / SiO 2 and amorphous silica

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Title: Second-generation charge-optimized many-body potential for $Si / {SiO}_{2}$ and amorphous silica