Theory and computer simulation of tweed texture

Abstract

An analytical theory of the ordering interaction J(R _ij ) in structural phase transitions mediated by elastic relaxation in the material is outlined. The ordering process in cell i sets up a local stress field due to the sizes, shapes or displacements of atoms or atomic groups, which is propagated elastically to a distant cell j. The atomistic theory for ferro- and antiferro-elastic transitions takes into account two types of singularity, one due to elastic anisotropy and the other to the Zener interaction J _z of infinite range in ferroelastic transitions. The form of J _k in Fourier space is highly anisotropic with a few “soft” directions coinciding with the orientation of twin boundaries. The asymptoptic J(R) at large R is shown to be very anisotropic as well and decays as R ^?3 in ferroelastic and R ^?5 in antiferroelastic systems.

Computer simulations for a three-dimensional model of about 29,000 particles show a strong tendency to form tweed texture, as observed experimentally. Well above the structural phase transition temperature, the strain fluctuations show well-developed embryos of the tweed texture. On quenching to below the transition temperature, a pronounced micro-twinning appears which follows almost exactly the shape of the embryos and then develops towards a stripe texture. After a certain time needle-shaped domains are formed and a peculiar step-wise process of generating new stripes is observed.