Effect of Fe–O ReaxFF on Liquid Iron Oxide Properties Derived from Reactive Molecular Dynamics

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Authors: Leon C. Thijs, Efstratios M. Kritikos, Andrea Giusti, Marie-Aline van Ende, Adri C. T. van Duin, XiaoCheng Mi

Journal title: The Journal of Physical Chemistry A

Journal number: 127

Journal publisher: American Chemical Society

Published year: 2023

Published pages: 10339-10355

DOI identifier: 10.1021/acs.jpca.3c06646

ISSN: 1089-5639