Phase-Field Simulation of Antiphase Boundary Migration in Slightly Off-stoichiometric Fe<sub>3</sub>Al with Solute and Vacancy Segregation

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Effects of segregation of solute atoms and vacancies on migration of antiphase boundaries (APBs) in Fe3Al with slightly off-stoichirometric (Fe-24 and 26Al) compositions (unit: at%) at 673 K have been studied by a phase-field method in which local vacancy concentration is taken into account [Koizumi et al. Acta Mater 2008;56:5861, ibid. 2009;57:3039], and results were compared to those for stoichiometric and far Al-rich compositions obtained in the previous study. Shrinking of circular APBs having different phase-shift vectors of a/4<111> and a/2<100> (B2-APB and D03-APB, respectively) were simulated and their boundary mobilities were evaluated. Similar effects of the segregation on the migration of B2-APBs were observed for all the compositions, that is, vacancies segregated and Al-atoms were depleted at B2-APBs. Vacancy concentration at B2-APBs was up to 80 % higher than that in the bulk, which enhanced the migration of B2-APBs greatly. In contrast, the segregation to D03-APBs exhibited a marked composition dependence. Vacancies are depleted and Al-atoms segregated at D03-APBs in Fe-28Al, whereas vacancies segregated and Al-atoms were depleted at D03-APB in Fe-24Al and Fe-25Al. Almost no segregation was observed in Fe-26Al. Solute-drags suppressed the migration of D03-APBs in Fe-24Al and in Fe-28Al, and the breakaway of APBs from their segregation atmosphere increased their boundary mobilities by almost one order of magnitude.

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