Hydrogen-induced superabundant vacancy formation by electrochemical methods in bcc Fe: Monte Carlo simulation

Abstract

Process of formation of superabundant vacancies (SAVs) by electrochemical methods is examined by Monte Carlo simulation developed in our previous papers, with particular focus on bcc Fe. SAVs are introduced abruptly when the electrode potential is lowered below some critical value, −0.4V vs. SHE, and, once formed, remain as such to another critical potential significantly higher. The effect of varying pH of the electrolyte is also included. Two different configurations of Vac-H clusters are formed; VacH4 and VacH5. A consistent explanation is given of our previous observations of SAV formation in electrodeposited Fe.