Phase-field model of pitting corrosion kinetics in metallic materials

doi:10.1038/s41524-018-0089-4

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

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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

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.  doi: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.  doi: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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DOI: 10.1038/s41524-018-0089-4

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