A multiscale model containing a multiwell energy function, based on quantum-mechanics, accounting for the body centered cubic (bcc) and hexagonally clos-packed (hcp) phases of Fe, and a construction of kinematically compatible and equilibrated mixed phases were presented. Using the model, the influence of shear stresses on the bcc↔hcp transformation was demonstrated. The presence of a modest shear, which accounts for the scatter in measured transformation pressure (TP) were also demonstrated. The formation of mixed phases, which provides an explanation for the observed hysterisis in TP was also investigated.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)