Modeling of elastic properties of crystals with hexagonal close-packed lattice

Abstract

In the present paper, we consider mechanical properties of an ideal hexagonal close-packed (HCP) crystal lattice. We construct three models for describing the elastic characteristics of metals with HCP lattice. Using examples of nine metals with different degree of geometric imperfection (beryllium, hafnium, cadmium, cobalt, magnesium, rhenium, titanium, zinc, and zirconium), we show that including the moment interaction into the model leads to a more accurate description of the elastic properties than taking into account the geometric features of a specific lattice. We also show that, depending on the type of the electron shell, it is efficient to use different models; namely, for d-elements, it suffices to use the two-parameter force model, while for the s-elements, it is required to take the moment interaction into account.