The short-range structure of Ti and Zr b.c.c. solid solutions containing the ω phase. I. General diffraction theory and development of computational techniques

Certain Ti and Zr solid solutions containing the ω phase exhibit intensity distributions in reciprocal space which are partly diffuse. In an effort to understand the structural meaning of these diffraction patterns, we have developed new methods for the evaluation of the kinematic intensity sum for certain kinds of atomic arrangements which are not quite periodic. The methods are illustrated by their application to a simple model for these alloy systems. The model successfully reproduces some but not all of the features of observed intensity distributions.