Elastic properties of multi-component nickel solid solutions

Abstract

The effects of alloying additions on elastic properties of multi-component Ni solid solutions have been systematically investigated using ab initio density functional theory calculations within the generalized gradient approximation (GGA). An elastic property map involving 60 purposely-chosen compositions including binary, ternary, quaternary and high-order (up to 6) Ni solid solutions has been created. Analyses of the map revealed that alloying additions could enhance elastic moduli up to the quaternary system, beyond which further alloying would slightly weaken elastic moduli. The enhancement of elastic moduli by alloying additions is more evident for lower order systems than for higher order systems. Based on the calculated elastic moduli, the ductile/brittle behavior of the materials has been briefly assessed. The current research has, for the first time, generated a calculated elastic modulus database for Ni solid solutions that could be used for future design of new superalloys.