Towards the ab initio based theory of the phase transformations in iron and steel
  Despite of the appearance of numerous new materials, the iron based alloys
and steels continue to play an essential role in modern technology. The
properties of a steel are determined by its structural state (ferrite,
cementite, pearlite, bainite, martensite, and their combination) that is formed
under thermal treatment as a result of the shear lattice reconstruction "gamma"
(fcc) -> "alpha" (bcc) and carbon diffusion redistribution. We present a review
on a recent progress in the development of a quantitative theory of the phase
transformations and microstructure formation in steel that is based on an ab
initio parameterization of the Ginzburg-Landau free energy functional. The
results of computer modeling describe the regular change of transformation
scenario under cooling from ferritic (nucleation and diffusion-controlled
growth of the "alpha" phase to martensitic (the shear lattice instability
"gamma" -> "alpha"). It has been shown that the increase in short-range
magnetic order with decreasing the temperature plays a key role in the change
of transformation scenarios. Phase-field modeling in the framework of a
discussed approach demonstrates the typical transformation patterns.
