Materials selection rules for amorphous complexion formation in binary metallic alloys

Abstract

Complexions are phase-like interfacial features that can influence a wide variety of properties, but the ability to predict which material systems can sustain these features remains limited. Amorphous complexions are of particular interest due to their ability to enhance diffusion and damage tolerance mechanisms, as a result of the excess free volume present in these structures. In this paper, we propose a set of materials selection rules aimed at predicting the formation of amorphous complexions, with an emphasis on (1) encouraging the segregation of dopants to the interfaces and (2) lowering the formation energy for a glassy structure. To validate these predictions, binary Cu-rich metallic alloys encompassing a range of thermodynamic parameter values were created using sputter deposition and subsequently heat treated to allow for segregation and transformation of the boundary structure. All of the alloys studied here experienced dopant segregation to the grain boundary, but exhibited different interfacial structures. Cu-Zr and Cu-Hf formed nanoscale amorphous intergranular complexions while Cu-Nb and Cu-Mo retained crystalline order at their grain boundaries, which can mainly be attributed to differences in the enthalpy of mixing. Finally, using our newly formed materials selection rules, we extend our scope to a Ni-based alloy to further validate our hypothesis, as well as make predictions for a wide variety of transition metal alloys.