Identification of a Ni0.5(Al0.5−xMnx) B2 phase at the heterophase interfaces of Cu-rich precipitates in an α-Fe matrix

Abstract

A phase with the stoichiometry Ni0.5(Al0.5−xMnx) is observed at heterophase interfaces of Cu-rich precipitates in an α-Fe matrix, utilizing atom-probe tomography. First-principles calculations are utilized to determine the substitutional energies, yielding EMn→Ni=0.916eVatom−1 and EMn→Al=−0.016eVatom−1 indicating that the manganese atoms prefer substituting at Al sublattice sites instead of Ni sites. A synchrotron radiation experiment demonstrates that the identified phase possesses the B2 structure.