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Simulations of cubic-tetragonal ferroelastics

A. E. Jacobs·S. H. Curnoe·R. C. Desai
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Abstract

We study domain patterns in cubic-tetragonal ferroelastics by solving numerically equations of motion derived from a Landau model of the phase transition, including dissipative stresses. Our system sizes, of up to 256^3 points, are large enough to reveal many structures observed experimentally. Most patterns found at late stages in the relaxation are multiply banded; all three tetragonal variants appear, but inequivalently. Two of the variants form broad primary bands; the third intrudes into the others to form narrow secondary bands with the hosts. On colliding with walls between the primary variants, the third either terminates or forms a chevron. The multipy banded patterns, with the two domain sizes, the chevrons and the terminations, are seen in the microscopy of zirconia and other cubic-tetragonal ferroelastics. We examine also transient structures obtained much earlier in the relaxation; these show the above features and others also observed in experiment.

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A. E. Jacobs, S. H. Curnoe, R. C. Desai. 2003-12-19. Simulations of cubic-tetragonal ferroelastics. https://doi.org/10.1103/physrevb.68.224104

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