Dear everyone,
When using CE for the free energy study in one alloy system, if there is a dynamically unstable composition zone (for example, in bcc Fe-Cu alloy, pure bcc-Cu would be dynamically unstable), can we still use the fitfc or fitsvsl methods to get the vibrational contribution? Can we limit the composition zone, like the c0 and c1 options in maps? Would that be possible to perform and meaningful?
Many thanks!
Yi Wang
Ph.D candidate of Nanjing University of Sci. & Tech., China