Ordering Behavior in High Entropy Alloys
The frustrated local moments of Cr atoms in random solutions of CrCoNi, as calculated using spin-polarized density-functional theory. Simulations suggest that these interactions could play a role in local chemical ordering.
The ab initio volume of several alloys in the CrCoNi system under several models of short-range order. The volume-composition landscape determines atomic misfit volumes, which are a key parameter in an alloy’s yield strength.
This research is supported by the Department of Energy, Office of Basic Energy Sciences