A computational scheme was developed, within the Parrinello-Rahman molecular dynamics method, which permitted changes in the volume and shape of the model block. This allowed for the study of considerable structural rearrangements of the system in response to an arbitrary stress tensor. The effects of the type, symmetry and interaction of regularly-spaced point-defect complexes and stacking faults upon lattice stability and martensitic transformation in body-centered cubic and B2-structures were investigated. It was shown that the defects could stabilize the parent structure. The actual behaviour depended upon the defect type and symmetry. It was found that, in the pre-martensite state, where the system approached its stability limit the interaction of strain fields in the vicinity of defects could affect the choice of possible martensite transition pathways.

Influence of Structural Defects on Martensitic Transformations in Systems with Low Elastic Moduli. V.V.Kulagina: Russian Physics Journal, 2001, 44[2], 151-61