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Phase-field model of pitting corrosion kinetics in metallic materials
npj Computational Materials ( IF 9.4 ) Pub Date : 2018-07-24 , DOI: 10.1038/s41524-018-0089-4
Talha Qasim Ansari , Zhihua Xiao , Shenyang Hu , Yulan Li , Jing-Li Luo , San-Qiang Shi

Pitting corrosion is one of the most destructive forms of corrosion that can lead to catastrophic failure of structures. 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 local physical state of the metal within a metal-electrolyte system. The free energy of the system is described in terms of its metal ion concentration and the order parameter. Both the ion transport in the electrolyte and the electrochemical reactions at the electrolyte/metal interface are explicitly taken into consideration. The temporal evolution of ion concentration profile and the order parameter field is driven by the reduction in the total free energy of the system and is obtained by numerically solving the governing equations. A calibration study is performed to couple the kinetic interface parameter with the corrosion current density to obtain a direct relationship between overpotential and the kinetic interface parameter. The phase field model is validated against the experimental results, and several examples are presented for applications of the phase-field model to understand the corrosion behavior of closely located pits, stressed material, ceramic particles-reinforced steel, and their crystallographic orientation dependence.



中文翻译:

金属材料中点蚀动力学的相场模型

点蚀是最破坏性的腐蚀形式之一,可导致结构的灾难性破坏。这项研究提出了一种热力学一致的相场模型,用于定量预测金属材料中的点蚀动力学。引入有序参数来表示金属电解质系统中金属的局部物理状态。系统的自由能根据其金属离子浓度和阶数参数来描述。电解质中的离子迁移和电解质/金属界面处的电化学反应都得到了明确考虑。离子浓度分布和阶次参数场的时间演化是由系统总自由能的减少驱动的,并且是通过对控制方程进行数值求解而获得的。进行校准研究以将动力学界面参数与腐蚀电流密度耦合,以获得超电势与动力学界面参数之间的直接关系。根据实验结果对相场模型进行了验证,并给出了一些应用实例说明相场模型的应用,以了解位置紧密的凹坑,应力材料,陶瓷颗粒增强钢的腐蚀行为及其晶体学取向依赖性。进行校准研究以将动力学界面参数与腐蚀电流密度耦合,以获得超电势与动力学界面参数之间的直接关系。相对于实验结果验证了相场模型,并给出了一些应用实例说明相场模型的应用,以了解位置紧密的凹坑,应力材料,陶瓷颗粒增强钢的腐蚀行为及其晶体学取向依赖性。进行校准研究以将动力学界面参数与腐蚀电流密度耦合,以获得超电势与动力学界面参数之间的直接关系。相对于实验结果验证了相场模型,并给出了一些应用实例说明相场模型的应用,以了解位置紧密的凹坑,应力材料,陶瓷颗粒增强钢的腐蚀行为及其晶体学取向依赖性。

更新日期:2018-07-24
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