Imperial College London


Faculty of EngineeringDepartment of Materials

Vice-Dean (Research), Faculty of Engineering



+44 (0)20 7594 6755m.p.ryan




B338Royal School of MinesSouth Kensington Campus






BibTex format

author = {Atkin, J and Hendy, S and Laycock, N and Mackay, J and Nanjo, H and Ryan, M},
pages = {37--54},
title = {Atomistic modeling of the passive film on iron},
year = {2003}

RIS format (EndNote, RefMan)

AB - Atomistic modeling has been used to study the structure and transport properties of surface oxide films on pure iron. These calculations have been used to constrain parameters in the high-field model and diffusion-limited growth model for oxide growth kinetics. Only the Verwey high-field model is found to be consistent with the atomistic modeling, although consistency requires a large interstitial cation concentration. However, if cation transport is dominated by grain-boundary diffusion, the Mott-Cabrera high-field model can be reconciled with the atomistic modeling. Finally, we have considered models of grain ripening and examined the relationship between in-plane grain growth and out-of-plane thickening of the film. If grain ripening is occurring during film growth, then diffusion-limited growth is found to be consistent with empirical data.
AU - Atkin,J
AU - Hendy,S
AU - Laycock,N
AU - Mackay,J
AU - Nanjo,H
AU - Ryan,M
EP - 54
PY - 2003///
SP - 37
TI - Atomistic modeling of the passive film on iron
ER -