How do i use mcsqs to make Fe-Ti-B system with boron occupying 50% interstial sites?
You need to explicitly create a sublattice that will host the interstitials. The elements on that sublattice would be B and Vac (for "vacancy").
How do i use mcsqs to make Fe-Ti-B system with boron occupying 50% interstial sites?
You need to explicitly create a sublattice that will host the interstitials. The elements on that sublattice would be B and Vac (for "vacancy").