Mg segregation at Al/Al3Sc heterophase interfaces on an atomic scale: experiments and computations

Phys Rev Lett. 2003 Jul 18;91(3):036101. doi: 10.1103/PhysRevLett.91.036101. Epub 2003 Jul 18.

Abstract

Microscopic factors governing solute partitioning in ternary two-phase Al-Sc-Mg alloys are investigated combining three-dimensional-atom-probe (3DAP) microscopy measurements with first-principles computations. 3DAP is employed to measure composition profiles with subnanometer-scale resolution, leading to the identification of a large enhancement of Mg solute at the coherent alpha-Al/Al(3)Sc (fcc/L1(2)) heterophase interface. First-principles calculations establish an equilibrium driving force for this interfacial segregation reflecting the nature of the interatomic interactions.