Computer simulation of the corrosion pit growth
Computer simulation of the corrosion pit growth
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DOI：
10.1016/j.corsci.2004.05.004
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发表时间：
2005
影响因子：
8.3
通讯作者：
B. Malki;B. Baroux
中科院分区：
文献类型：
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作者：
B. Malki;B. Baroux
采用蒙特卡罗(MC)和元胞自动机(CA)技术对腐蚀坑生长过程进行了数值模拟。给出了这两种方法的理论框架。在MC技术中，针对元素溶解事件提出了一种溶解算法。在原子尺度上改变凹坑壁上的再钝化概率可以控制凹坑生长动力学(n从1/2到2变化)。在CA技术中，金属/薄膜/电解液体系被认为是一个具有特定过渡规则的自动机。溶解概率对凹坑形态和规律都有很大的影响。最后，证明了坑内IR降的主要作用。这些初步的研究推动了未来更详细地模拟凹坑生长过程和亚稳态凹坑的再钝化过程的工作。
Numerical simulations of the corrosion pit growth are performed using both Monte Carlo (MC) and Cellular Automata (CA) techniques. The theoretical framework of these two methods is presented. In the MC technique, a dissolution algorithm is proposed for elementary dissolution events. Varying the repassivation probability at the atomic scale on the pit walls is shown to control the pit growth kinetics (tnlaw, with n varying from 1/2 to 2). In the CA technique, the Metal/Film/Electrolyte system is considered as an automaton with some specific transition rules. The dissolution probability is shown to strongly influence both pit morphologies and the tnlaw. Last, predominant effect of the IR drop inside the pit is evidenced. These preliminary investigations motivate future works to simulate in more details the pit growth process and the repassivation of metastable pits.