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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:
 [1];  [1]; ORCiD logo [2];  [2];  [3];  [1]
  1. Hong Kong Polytechnic Univ., Hung Hom, Kowloon (Hong Kong)
  2. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  3. Univ. of Alberta, Edmonton, AB (Canada)
Publication Date:
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.
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.
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.
@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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