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

Journal Article · 24 July 2018 · npj Computational Materials

DOI: https://doi.org/10.1038/s41524-018-0089-4 · OSTI ID:1558620

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)

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.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1558620

Report Number(s):: PNNL-SA--130881

Journal Information:: npj Computational Materials, Journal Name: npj Computational Materials Journal Issue: 1 Vol. 4; ISSN 2057-3960

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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