skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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:
ORCiD logo [1];  [2]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. 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) (SC-22)
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. doi: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. doi: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 = {2018},
month = {6}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

TFOx: A versatile kinetic Monte Carlo program for simulations of island growth in three dimensions
journal, August 2014


Theory of the oxidation of metals
journal, January 1949


Steady-State Passive Films
journal, January 1992

  • Macdonald, Digby D.
  • Journal of The Electrochemical Society, Vol. 139, Issue 1
  • DOI: 10.1149/1.2069165

Ion migration in anodic barrier oxide films on iron in acidic phosphate solutions
journal, August 1977


A first principles investigation of the oxygen adsorption on Zr(0001) surface using cluster expansions
journal, November 2017


Non-equilibrium point defect model for time-dependent passivation of metal surfaces
journal, August 2001


1D steady-state finite-element modelling of a bi-carrier one-layer oxide film
journal, November 2006


The history of the Point Defect Model for the passive state: A brief review of film growth aspects
journal, January 2011


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
  • DOI: 10.1063/1.4979121

Exact and numerical solutions to a Stefan problem with two moving boundaries
journal, January 2008


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
  • DOI: 10.1016/j.jcp.2012.06.005

Critical review on the passive film formation and breakdown on iron electrode and the models for the mechanisms underlying passivity
journal, January 2017


Simplified point defect model for growth of anodic passive films on iron
journal, August 2002