Building hierarchical martensite

Martensitic materials show a complex, hierarchical microstructure containing structural domains separated by various types of twin boundaries. Several concepts exist to describe this microstructure on each length scale, however, there is no comprehensive approach bridging the whole range from the nano- up to the macroscopic scale. Here, we describe for a Ni-Mn-based Heusler alloy how this hierarchical microstructure is built from scratch with just one key parameter: the tetragonal distortion of the basic building block at the atomic level. Based on this initial block, we introduce five successive levels of nested building blocks. At each level, a larger building block is formed by twinning the preceding one to minimise the relevant energy contributions locally. This naturally explains the occurrence of different types of twin boundaries. We compare this scale-bridging approach of nested building blocks with experiments in real and reciprocal space. Our approach of nested building blocks is versatile as it can be applied to the broad class of functional materials exhibiting diffusionless transformations.
Comment: 25 pages, including supplementary