Structural characterization and stress-relaxation behavior of superlattice Cu5Zr

A self-organized superlattice containing modulated layers in Cu5Zr was manufactured by casting a Cu–Zr system. Substitutional Zr atoms caused compressive stress in the superlattice so that periodic stress fields were formed with a long-range order along the 〈1 1 0〉 directions on {1 1 1} for stress relaxation. On the other hand, it was demonstrated theoretically by atomistic simulations that a superlattice could form easily due to the large negative enthalpy of formation in the structure (−12.890 kJ/mol of atoms).