Atomistic simulation of initial stages of iron corrosion in pure water using reactive molecular dynamics
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DOI: 10.1016/j.commatsci.2017.12.044
Abstract: Abstract Reactive Force Field Molecular Dynamics (ReaxFF-MD) was used to study the initial stages of iron corrosion in pure water. The simulations were performed on iron under various applied external electric fields and temperatures. Oxide… read more here.
Keywords: water; stages iron; corrosion; iron corrosion ... See more keywords