Deformation superstructures, tweed, and oxygen-vacancy ordering associated with phase transformations in YBa2Cu3Oz

Abstract
A theoretical technique is described, employing Monte Carlo simulation, which allows the investigation of strain effects associated with transformations in solids. The method applies a grand canonical stress ensemble in the study of elasticity during phase evolution in YBa2 Cu3 Oz where both oxygen occupancy and atomic positions in the basal plane, as well as total sample volume, can vary. Quenching experiments yield both metastable √2a0×√2a0 superstructures from short-wavelength modulations and a tweed texture from long-period 〈110〉 modulations of the ordered z=7.0 compound.