Phase transitions in crystals with a BCC structure

Abstract

A theory of bcc-hcp and bcc-fcc structural phase transformations in metals with a high-temperature bcc lattice has been constructed on the basis of a pseudo-spin Ising Hamiltonian, which describes cooperative oscillations of atomic planes in a two-well potential with allowance for interactions between nearest neighbors. The picture of diffuse scattering and of the combined rearrangement of original Bragg reflections and diffuse scattering into Bragg reflections upon transitions into low-temperature phases has been calculated at all temperatures. It is shown that the bcc-hcp and bcc-fcc phase transformations occur in a temperature interval rather than at a point. In the case of the bcc-hcp transformation, as the temperature decreases, the bcc structure first transforms jumpwise into an orthorhombic structure close to the hcp structure and then, with a further decrease in temperature, this structure smoothly changes into the strictly close-packed hexagonal structure at T → 0. In the case of the bcc-fcc transition, there occurs an analogous transformation into a strictly close-packed face-centered cubic structure at T → 0, but now through a monoclinic structure.