Second gradient continuum model for anisotropic elastic and piezoelectric structures calibrated based on phonon dispersion relations

In this paper, we present a variant of the second gradient continuum model that allows description of the spatial dispersion effects of high-frequency waves in anisotropic crystals. The considered model takes into account the strain and inertia gradient effects and the classical electro-mechanical coupling. The simplified constitutive equations of the model contain seven and four length scale parameters for piezoelectric hexagonal crystals and elastic cubic crystals, respectively. It is shown that all except one length scale parameter can be identified based on the fitting of the continuum model to the lattice dynamics calculations for the dispersion relations of the bulk acoustic phonons. Examples of the identification are presented for hexagonal piezoelectric ZnO and AlN and for cubic diamond and Si crystals. Using a calibrated model, we then obtain the dispersion relations for the high-frequency Bleustein-Gulyaev wave in piezoelectric crystals and for the shear horizontal surface wave in elastic crystals. The last one is predicted by the gradient models only for the high frequencies, while at low frequencies this wave degenerates to the bulk shear wave. Examples of calculations are also provided for the Rayleigh wave propagating through the homogeneous piezoelectric half-space and layered ZnO(AlN)/diamond/Si structures. It is shown that this kind of surface wave can be used to identify the last unknown length scale parameter of the model.

Automated summary

In this paper, a variant of the second gradient continuum model is introduced to describe the spatial dispersion effects of high-frequency waves in anisotropic crystals. The model considers strain and inertia gradient effects, as well as classical electro-mechanical coupling. The simplified constitutive equations of the model contain seven and four length scale parameters for piezoelectric hexagonal crystals and elastic cubic crystals, respectively. It is shown that these parameters can be identified based on the fitting of the continuum model to lattice dynamics calculations.