Grain boundary transitions in binary alloys

Phys Rev Lett. 2006 Aug 18;97(7):075502. doi: 10.1103/PhysRevLett.97.075502. Epub 2006 Aug 14.

Abstract

A thermodynamic diffuse interface analysis predicts that grain boundary transitions in solute absorption are coupled to localized structural order-disorder transitions. An example calculation of a planar grain boundary using a symmetric binary alloy shows that first-order boundary transitions can be predicted as a function of the crystallographic grain boundary misorientation and empirical gradient coefficients. The predictions are compared to published experimental observations.