Charge optimized many-body (COMB) potential for Al 2 O 3 materials, interfaces, and nanostructures

Choudhary, Kamal; Liang, Tao; Chernatynskiy, Aleksandr; Phillpot, Simon R.; Sinnott, Susan B.

doi:10.1088/0953-8984/27/30/305004

Title: Charge optimized many-body (COMB) potential for Al ₂ O ₃ materials, interfaces, and nanostructures

Journal Article · Tue Jul 07 00:00:00 EDT 2015 · Journal of Physics. Condensed Matter

DOI:https://doi.org/10.1088/0953-8984/27/30/305004· OSTI ID:1369698

Choudhary, Kamal; Liang, Tao; Chernatynskiy, Aleksandr; 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:: 1369698

Journal Information:: Journal of Physics. Condensed Matter, Vol. 27, Issue 30; 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 0953-8984

Publisher:: IOP Publishing

Country of Publication:: United States

Language:: English

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