In this work we establish an approach to model miscibility gaps of alloys using statistical physics, lattice dynamics from first-principles calculations. We carefully calculate the entropy include all processes introducing disorder system, i.e., combining electronic, phononic, and configuration entropies. Furthermore present our algorithm for generating Special Quasirandom Structures (SQS). gap...

Heat-resisting alloys are designed to survive high-temperature oxidation by forming a slow-growing scale, usually Cr 2 O 3 , which acts as barrier between the metal and its environment. However, that succeed in this way when exposed hot oxygen or air fail do so CO gas. Instead, they exhibit rapid “breakaway” corrosion, developing oxides of alloy base iron and/or nickel. The growth these non-pro...