A one-dimensional time-dependent model for studying oxide film growth on metallic surfaces
Abstract
Corrosion resistance of industrial metals and alloys is largely imparted by the formation of a stable oxide film on the surface that kinetically limits the process of corrosion. Developing a fundamental knowledge of the processes involved in the oxide layer formation and growth is thus important for designing corrosion-resistant alloys. In this work, a model for oxide growth tracking two species (the oxygen and metal vacancies) was presented. The model accounted for species transport and interfacial chemistry. The potential profile was obtained by solving the Poisson equation without needing to invoke the typical linear assumption. Moreover, the fully time-dependent concentration and potential profiles were obtained and the oxide thickness was allowed to evolve by allowing the movement of the domain boundaries at either end. The results were analyzed and the effects of different parameters on the model were discussed.
- Authors:
-
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- The Ohio State Univ., Columbus, OH (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Center for Performance and Design of Nuclear Waste Forms and Containers (WastePD); The Ohio State Univ., Columbus, OH (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1566377
- Alternate Identifier(s):
- OSTI ID: 1457090
- Grant/Contract Number:
- SC0016584; Award # DE-SC0016584
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 123; Journal Issue: 24; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; nuclear; defects; corrosion
Citation Formats
Samin, Adib J., and Taylor, Christopher D. A one-dimensional time-dependent model for studying oxide film growth on metallic surfaces. United States: N. p., 2018.
Web. doi:10.1063/1.5024211.
Samin, Adib J., & Taylor, Christopher D. A one-dimensional time-dependent model for studying oxide film growth on metallic surfaces. United States. https://doi.org/10.1063/1.5024211
Samin, Adib J., and Taylor, Christopher D. Thu .
"A one-dimensional time-dependent model for studying oxide film growth on metallic surfaces". United States. https://doi.org/10.1063/1.5024211. https://www.osti.gov/servlets/purl/1566377.
@article{osti_1566377,
title = {A one-dimensional time-dependent model for studying oxide film growth on metallic surfaces},
author = {Samin, Adib J. and Taylor, Christopher D.},
abstractNote = {Corrosion resistance of industrial metals and alloys is largely imparted by the formation of a stable oxide film on the surface that kinetically limits the process of corrosion. Developing a fundamental knowledge of the processes involved in the oxide layer formation and growth is thus important for designing corrosion-resistant alloys. In this work, a model for oxide growth tracking two species (the oxygen and metal vacancies) was presented. The model accounted for species transport and interfacial chemistry. The potential profile was obtained by solving the Poisson equation without needing to invoke the typical linear assumption. Moreover, the fully time-dependent concentration and potential profiles were obtained and the oxide thickness was allowed to evolve by allowing the movement of the domain boundaries at either end. The results were analyzed and the effects of different parameters on the model were discussed.},
doi = {10.1063/1.5024211},
journal = {Journal of Applied Physics},
number = 24,
volume = 123,
place = {United States},
year = {Thu Jun 28 00:00:00 EDT 2018},
month = {Thu Jun 28 00:00:00 EDT 2018}
}
Web of Science
Works referenced in this record:
TFOx: A versatile kinetic Monte Carlo program for simulations of island growth in three dimensions
journal, August 2014
- Zhu, Qing; Fleck, Chris; Saidi, Wissam A.
- Computational Materials Science, Vol. 91
Theory of the oxidation of metals
journal, January 1949
- Cabrera, N.; Mott, N. F.
- Reports on Progress in Physics, Vol. 12, Issue 1
Steady-State Passive Films
journal, January 1992
- Macdonald, Digby D.
- Journal of The Electrochemical Society, Vol. 139, Issue 1
Ion migration in anodic barrier oxide films on iron in acidic phosphate solutions
journal, August 1977
- Sato, Norio; Noda, Tetsuji
- Electrochimica Acta, Vol. 22, Issue 8
A first principles investigation of the oxygen adsorption on Zr(0001) surface using cluster expansions
journal, November 2017
- Samin, Adib J.; Taylor, Christopher D.
- Applied Surface Science, Vol. 423
Non-equilibrium point defect model for time-dependent passivation of metal surfaces
journal, August 2001
- Krishnamurthy, Balaji; White, Ralph E.; Ploehn, Harry J.
- Electrochimica Acta, Vol. 46, Issue 22
1D steady-state finite-element modelling of a bi-carrier one-layer oxide film
journal, November 2006
- Vankeerberghen, Marc
- Corrosion Science, Vol. 48, Issue 11
The history of the Point Defect Model for the passive state: A brief review of film growth aspects
journal, January 2011
- Macdonald, Digby D.
- Electrochimica Acta, Vol. 56, Issue 4
Modelling oxide formation and growth on platinum
journal, April 2017
- Baroody, Heather A.; Jerkiewicz, Gregory; Eikerling, Michael H.
- The Journal of Chemical Physics, Vol. 146, Issue 14
Exact and numerical solutions to a Stefan problem with two moving boundaries
journal, January 2008
- Barry, Steven I.; Caunce, James
- Applied Mathematical Modelling, Vol. 32, Issue 1
Numerical methods for the simulation of a corrosion model with moving oxide layer
journal, July 2012
- Bataillon, C.; Bouchon, F.; Chainais-Hillairet, C.
- Journal of Computational Physics, Vol. 231, Issue 18
Critical review on the passive film formation and breakdown on iron electrode and the models for the mechanisms underlying passivity
journal, January 2017
- Veluchamy, Angathevar; Sherwood, Daniel; Emmanuel, Bosco
- Journal of Electroanalytical Chemistry, Vol. 785
Simplified point defect model for growth of anodic passive films on iron
journal, August 2002
- Krishnamurthy, Balaji; White, Ralph E.; Ploehn, Harry J.
- Electrochimica Acta, Vol. 47, Issue 20
Works referencing / citing this record:
Oxidation of metal thin films by atomic oxygen: A low energy ion scattering study
journal, October 2019
- Stilhano Vilas Boas, C. R.; Sturm, J. M.; Bijkerk, F.
- Journal of Applied Physics, Vol. 126, Issue 15