Bounds and self-consistent estimates for elastic constants of random polycrystals with hexagonal, trigonal, and tetragonal symmetries

Peselnick, Meister, and Watt have developed rigorous methods for bounding elastic constants of random polycrystals based on the Hashin–Shtrikman variational principles. In particular, a fairly complex set of equations that amounts to an algorithm has been presented previously for finding the bounds on effective elastic moduli for polycrystals having hexagonal, trigonal, and tetragonal symmetries. A more analytical approach developed here, although based on the same ideas, results in a new set of compact formulas for all the cases considered. Once these formulas have been established, it is then straightforward to perform what could be considered an analytic continuation of the formulas (into the region of parameter space between the bounds) that can subsequently be used to provide self-consistent estimates for the elastic constants in all cases. This approach is very similar in spirit but differs in its details from earlier work of Willis, showing how Hashin–Shtrikman bounds and certain classes of self-consistent estimates may be related. These self-consistent estimates always lie within the bounds for physical choices of the crystal elastic constants and for all the choices of crystal symmetry considered. For cubic symmetry, the present method reproduces the self-consistent estimates obtained earlier by various authors, but the formulas for both bounds and estimates are generated in a more symmetric form. Numerical values of the estimates obtained this way are also very comparable to those found by the Gubernatis and Krumhansl coherent potential approximation (or CPA), but do not require computations of scattering coefficients.