Role of coherency in the elastic behavior of composition-modulated superlattices

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Abstract
We investigate the role of coherency in the elastic behavior of composition-modulated superlattices of fcc metals by atomistic computer simulations using Lennard–Jones potentials. Structures, energies, and elastic properties of incoherent superlattices are computed as a function of the compositional modulation wavelength along [001] and compared with those of coherent superlattices. Both superlattice types were taken to have a 10% lattice parameter mismatch between the two materials. The incoherent superlattices, as compared to coherent superlattices, were found to be more structurally disordered and exhibited greater elastic anomalies, which cannot be accounted for by the overall dimensional changes of the superlattices alone. High- and low-frequency elastic constants are briefly compared. It is proposed that increasing the structural disorder in the superlattices by increasing the lattice-parameter mismatch or by introducing a relative rotation between the two materials will enhance all of the elastic anomalies even further.