Phase-field model of pitting corrosion kinetics in metallic materials

Ansari, Talha Qasim; Xiao, Zhihua; Hu, Shenyang; Li, Yulan; Luo, Jing-Li; Shi, San-Qiang

doi:10.1038/s41524-018-0089-4

Title: Phase-field model of pitting corrosion kinetics in metallic materials

Abstract

This study presents a thermodynamically consistent phase field model for the quantitative prediction of the pitting corrosion kinetics in metallic materials. An order parameter is introduced to represent the metal’s physical state at each point in the entire domain. The free energy of the metal-electrolyte system is defined in terms of its metal ion concentration and the order parameter. The mass transport in the electrolyte and the electrochemical reactions in the electrolyte/metal interface are taken into consideration in the model to simulate metal corrosion in a corrosive environment. The governing equations for mass transport and the order parameter are solved in such a manner that the system’s free energy is reduced as a result of diffusion and migration processes, and the distribution of electrostatic potential is governed by Poisson’s equation. A calibration study is performed to couple the kinetic interface parameter with the corrosion current density, which results in a direct relationship between overpotential and the kinetic interface parameter. A comparative study is performed to validate the phase field model against the experimental results. Several case studies are also examined to understand the corrosion behavior of closely located pits, stressed material, ceramic particles-reinforced steel, and crystallographic orientation dependence.

Authors:

Ansari, Talha Qasim ^[1]; Xiao, Zhihua ^[1];

^[2]; Li, Yulan ^[2]; Luo, Jing-Li ^[3]; Shi, San-Qiang ^[1]

Hong Kong Polytechnic Univ., Hung Hom, Kowloon (Hong Kong)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Univ. of Alberta, Edmonton, AB (Canada)

Publication Date:: 2018-07-24

Research Org.:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1558620

Report Number(s):: PNNL-SA-130881
Journal ID: ISSN 2057-3960; TRN: US2000232

Grant/Contract Number:: AC05-76RL01830

Resource Type:: Accepted Manuscript

Journal Name:: npj Computational Materials

Additional Journal Information:: Journal Volume: 4; Journal Issue: 1; Journal ID: ISSN 2057-3960

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; Pitting corrosion; stainless steel

Citation Formats


                    Ansari, Talha Qasim, Xiao, Zhihua, Hu, Shenyang, Li, Yulan, Luo, Jing-Li, and Shi, San-Qiang. Phase-field model of pitting corrosion kinetics in metallic materials.  United States: N. p., 2018. 
Web.  doi:10.1038/s41524-018-0089-4.

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                    Ansari, Talha Qasim, Xiao, Zhihua, Hu, Shenyang, Li, Yulan, Luo, Jing-Li, & Shi, San-Qiang. Phase-field model of pitting corrosion kinetics in metallic materials.  United States.  https://doi.org/10.1038/s41524-018-0089-4

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                    Ansari, Talha Qasim, Xiao, Zhihua, Hu, Shenyang, Li, Yulan, Luo, Jing-Li, and Shi, San-Qiang. Tue .  
"Phase-field model of pitting corrosion kinetics in metallic materials".  United States.  https://doi.org/10.1038/s41524-018-0089-4.  https://www.osti.gov/servlets/purl/1558620.

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@article{osti_1558620,

  title        = {Phase-field model of pitting corrosion kinetics in metallic materials},

  author       = {Ansari, Talha Qasim and Xiao, Zhihua and Hu, Shenyang and Li, Yulan and Luo, Jing-Li and Shi, San-Qiang},

  abstractNote = {This study presents a thermodynamically consistent phase field model for the quantitative prediction of the pitting corrosion kinetics in metallic materials. An order parameter is introduced to represent the metal’s physical state at each point in the entire domain. The free energy of the metal-electrolyte system is defined in terms of its metal ion concentration and the order parameter. The mass transport in the electrolyte and the electrochemical reactions in the electrolyte/metal interface are taken into consideration in the model to simulate metal corrosion in a corrosive environment. The governing equations for mass transport and the order parameter are solved in such a manner that the system’s free energy is reduced as a result of diffusion and migration processes, and the distribution of electrostatic potential is governed by Poisson’s equation. A calibration study is performed to couple the kinetic interface parameter with the corrosion current density, which results in a direct relationship between overpotential and the kinetic interface parameter. A comparative study is performed to validate the phase field model against the experimental results. Several case studies are also examined to understand the corrosion behavior of closely located pits, stressed material, ceramic particles-reinforced steel, and crystallographic orientation dependence.},

  doi          = {10.1038/s41524-018-0089-4},

  journal      = {npj Computational Materials},

  number       = 1,

  volume       = 4,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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Works referencing / citing this record:

Modeling the effect of insoluble corrosion products on pitting corrosion kinetics of metals
journal, July 2019

Ansari, Talha Qasim; Luo, Jing-Li; Shi, San-Qiang
npj Materials Degradation, Vol. 3, Issue 1
DOI: 10.1038/s41529-019-0090-5

Computational modeling of pitting corrosion
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Jafarzadeh, Siavash; Chen, Ziguang; Bobaru, Florin
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DOI: 10.1515/corrrev-2019-0049

Pitting Corrosion of Natural Aged Al–Mg–Si Extrusion Profile
journal, April 2019

Guan, Quanmei; Sun, Jing; Wang, William
Materials, Vol. 12, Issue 7
DOI: 10.3390/ma12071081

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Similar Records

Title: Phase-field model of pitting corrosion kinetics in metallic materials

Abstract

Citation Formats

Numerical modeling of corrosion pit propagation using the combined extended finite element and level set method journal, April 2014

Numerical modelling of the electrochemical behaviour of 316L stainless steel based upon static and dynamic experimental microcapillary-based techniques journal, June 2008

Pit Initiation at Single Sulfide Inclusions in Stainless Steel journal, January 2002

Thermodynamic description and growth kinetics of stoichiometric precipitates in the phase-field approach journal, June 2007

Detection of Interactions among Localized Pitting Sites on Stainless Steel Using Spatial Statistics journal, January 2005

Pit growth studies in stainless steel foils. I. Introduction and pit growth kinetics journal, May 2002

Phase-Field Models for Microstructure Evolution journal, August 2002

Impact of the laminar flow on the electrical double layer development journal, August 2017

Ceramic reinforced high modulus steel composites: processing, microstructure and properties journal, March 2014

Phase field modeling of electrochemistry. II. Kinetics journal, February 2004

Corrosion under a porous layer: A porous electrode model and its implications for self-repair journal, October 2011

Peridynamic modeling of pitting corrosion damage journal, May 2015

A mathematical model of the initiation of crevice corrosion in metals journal, February 1992

Solute transport with multiple equilibrium-controlled or kinetically controlled chemical reactions journal, July 1992

Transport Processes and the Mechanism of Pitting of Metals journal, January 1976

Predictive modeling of localized corrosion: An application to aluminum alloys journal, June 2011

Stable pitting corrosion of stainless steel as diffusion-controlled dissolution process with a sharp moving electrode boundary journal, February 2007

A phase field model for simulating the stress corrosion cracking initiated from pits journal, August 2017

An elastoplastic phase-field model for the evolution of hydride precipitation in zirconium. Part I: Smooth specimen journal, August 2008

Unification of the deterministic and statistical approaches for predicting localized corrosion damage. I. Theoretical foundation journal, November 2004

A mathematical model of crevice and pitting corrosion—II. The mathematical solution journal, January 1988

An elastoplastic phase-field model for the evolution of hydride precipitation in zirconium. Part II: Specimen with flaws journal, August 2008

Pitting Corrosion of Metals journal, January 1998

Phase-Field Modeling of Transport-Limited Electrolysis in Solid and Liquid States journal, January 2007

Numerical simulation of crevice corrosion: The effect of the crevice gap profile journal, January 1991

Finite Volume model for diffusion- and activation-controlled pitting corrosion of stainless steel journal, August 2009

In situ AFM detection of pit onset location on a 304L stainless steel journal, January 2008

Effect of texture on corrosion behavior of AISI 304L stainless steel journal, February 2005

A numerical framework for the modeling of corrosive dissolution journal, December 2012

Phase-field model for isothermal phase transitions in binary alloys journal, May 1992

Free Energy of a Nonuniform System. I. Interfacial Free Energy journal, February 1958

Studies of the initiation of pitting corrosion on stainless steels journal, December 1984

On the theory of superconductivity journal, December 1955

Crevice Corrosion of Stainless Steels: I. A Mathematical Model journal, January 1978

Transport processes in passivity breakdown—II. Full hydrolysis of the metal ions journal, January 1981

A phase field model for simulating the pitting corrosion journal, September 2016

Modeling localized aluminum alloy corrosion in chloride solutions under non-equilibrium conditions: Steps toward understanding pitting initiation journal, February 2012

Mathematical modelling of the electrochemistry in corrosion fatigue cracks in structural steel cathodically protected in sea water journal, January 1986

Computer Simulation of Pitting Corrosion of Stainless Steels journal, January 2014

Microstructure evolution and wear properties of in situ synthesized TiB2 and TiC reinforced steel matrix composites journal, July 2008

Numerical Simulation of Pitting Corrosion: Interactions Between Pits in Potentiostatic Conditions conference, January 2006

A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials journal, April 2017

A Model of Crack Electrochemistry for Steels in the Active State Based on Mass Transport by Diffusion and Ion Migration journal, January 1982

Numerical method for time-dependent localized corrosion analysis with moving boundaries by combining the finite volume method and voxel method journal, October 2012

A review of the theoretical modelling of crevice and pitting corrosion journal, January 1987

Processing and properties of particulate reinforced steel matrix composites journal, May 1998

A mathematical model of crevice and pitting corrosion—I. The physical model journal, January 1988

Mathematical modeling of mass transport and chemical reaction in crevice and pitting corrosion journal, January 1990

Computer simulation of pitting potential measurements journal, December 2005

Calculating chemical concentrations during the initiation of crevice corrosion journal, April 2000

Dissolved Metal Species Mechanism for Initiation of Crevice Corrosion of Aluminum journal, January 1983

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Pitting Corrosion of Natural Aged Al–Mg–Si Extrusion Profile journal, April 2019

Numerical modeling of corrosion pit propagation using the combined extended finite element and level set method
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Numerical modelling of the electrochemical behaviour of 316L stainless steel based upon static and dynamic experimental microcapillary-based techniques
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Pit Initiation at Single Sulfide Inclusions in Stainless Steel
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Thermodynamic description and growth kinetics of stoichiometric precipitates in the phase-field approach
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Detection of Interactions among Localized Pitting Sites on Stainless Steel Using Spatial Statistics
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Pit growth studies in stainless steel foils. I. Introduction and pit growth kinetics
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Phase-Field Models for Microstructure Evolution
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Impact of the laminar flow on the electrical double layer development
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Ceramic reinforced high modulus steel composites: processing, microstructure and properties
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Phase field modeling of electrochemistry. II. Kinetics
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Corrosion under a porous layer: A porous electrode model and its implications for self-repair
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Peridynamic modeling of pitting corrosion damage
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A mathematical model of the initiation of crevice corrosion in metals
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Solute transport with multiple equilibrium-controlled or kinetically controlled chemical reactions
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Transport Processes and the Mechanism of Pitting of Metals
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Predictive modeling of localized corrosion: An application to aluminum alloys
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Stable pitting corrosion of stainless steel as diffusion-controlled dissolution process with a sharp moving electrode boundary
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A phase field model for simulating the stress corrosion cracking initiated from pits
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An elastoplastic phase-field model for the evolution of hydride precipitation in zirconium. Part I: Smooth specimen
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Unification of the deterministic and statistical approaches for predicting localized corrosion damage. I. Theoretical foundation
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A mathematical model of crevice and pitting corrosion—II. The mathematical solution
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An elastoplastic phase-field model for the evolution of hydride precipitation in zirconium. Part II: Specimen with flaws
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Pitting Corrosion of Metals
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Phase-Field Modeling of Transport-Limited Electrolysis in Solid and Liquid States
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Numerical simulation of crevice corrosion: The effect of the crevice gap profile
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Finite Volume model for diffusion- and activation-controlled pitting corrosion of stainless steel
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In situ AFM detection of pit onset location on a 304L stainless steel
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Effect of texture on corrosion behavior of AISI 304L stainless steel
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A numerical framework for the modeling of corrosive dissolution
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Phase-field model for isothermal phase transitions in binary alloys
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Free Energy of a Nonuniform System. I. Interfacial Free Energy
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Studies of the initiation of pitting corrosion on stainless steels
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On the theory of superconductivity
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Crevice Corrosion of Stainless Steels: I. A Mathematical Model
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Transport processes in passivity breakdown—II. Full hydrolysis of the metal ions
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A phase field model for simulating the pitting corrosion
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Modeling localized aluminum alloy corrosion in chloride solutions under non-equilibrium conditions: Steps toward understanding pitting initiation
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Mathematical modelling of the electrochemistry in corrosion fatigue cracks in structural steel cathodically protected in sea water
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Computer Simulation of Pitting Corrosion of Stainless Steels
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Microstructure evolution and wear properties of in situ synthesized TiB2 and TiC reinforced steel matrix composites
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Numerical Simulation of Pitting Corrosion: Interactions Between Pits in Potentiostatic Conditions
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A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials
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A Model of Crack Electrochemistry for Steels in the Active State Based on Mass Transport by Diffusion and Ion Migration
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Numerical method for time-dependent localized corrosion analysis with moving boundaries by combining the finite volume method and voxel method
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A review of the theoretical modelling of crevice and pitting corrosion
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Processing and properties of particulate reinforced steel matrix composites
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A mathematical model of crevice and pitting corrosion—I. The physical model
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Mathematical modeling of mass transport and chemical reaction in crevice and pitting corrosion
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Computer simulation of pitting potential measurements
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Calculating chemical concentrations during the initiation of crevice corrosion
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Dissolved Metal Species Mechanism for Initiation of Crevice Corrosion of Aluminum
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Crystallographic effects in corrosion of austenitic stainless steel 316L: Crystallographic effects in corrosion
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Phase-field model for binary alloys
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Elastoplastic phase field model for microstructure evolution
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The influence of crystallographic orientation distribution on 316LVM stainless steel pitting behavior
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Crevice Corrosion of Stainless Steels: II. Experimental studies
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An introduction to phase-field modeling of microstructure evolution
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Finite element calculation of crack propagation in type 304 stainless steel in diluted sulphuric acid solutions
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Modeling the effect of insoluble corrosion products on pitting corrosion kinetics of metals
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Computational modeling of pitting corrosion
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Pitting Corrosion of Natural Aged Al–Mg–Si Extrusion Profile
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