Continuous atomic displacements and lattice distortions during martensitic transformations in fcc-bcc-hcp systems

TL;DR

This paper provides a comprehensive analytical framework for understanding atomic displacements and lattice distortions during martensitic transformations in fcc, bcc, and hcp systems, including predictions of habit planes and intermediate states.

Contribution

It introduces parameter-free analytical expressions for atomic displacements and lattice distortions in fcc-bcc-hcp transformations, incorporating shuffle mechanisms and groupoid structures.

Findings

Predicted habit planes match experimental data.

Shuffle is necessary for hcp phase transformations.

Martensitic distortion occurs in one step without shearing.

Abstract

This work generalizes our previous works on fcc-bcc martensitic transformations to the larger family of transformations in the fcc-bcc-hcp system and to fcc-fcc mechanical twinning. The analytical expressions of the atomic displacements and lattice distortions are calculated directly from the orientation relationships without any adjustment of free parameter; the unique assumption is that the atoms are hard-spheres that cannot interpenetrate themselves. The habit planes are predicted on the simple criterion that they are unrotated by the distortion, and the results are compared to experimental observations published in literature. It is shown that shuffle is required for transformations implying the hcp phase because the hcp primitive Bravais lattice contains two atoms, instead of one for the fcc and bcc phases. A simple encoding of the lattice distortions and shuffles permits to attribute a groupoid structure to the transformations in the fcc-hcp-bcc system. The analytical expressions of the intermediate states are given and could be used to calculate activation energies. The martensitic distortion occurs in one-step, without shearing, and its accommodation generates orientation gradients in the parent phase, independently of its glide modes. The concept of reversibility is detailed on the basis of crystallographic and morphological arguments. The possibility to apply this approach to diffusion-limited martensitic transformations is discussed.