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American Physical Society, Physical review B, 24(81)

DOI: 10.1103/physrevb.81.245433

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Inverse Martensitic Transformation in Zr Nanowires

Journal article published in 2010 by Suzhi Li ORCID, Xiangdong Ding, Ju Li ORCID, Xiaobing Ren, Jun Sun, Evan Ma, Turab Lookman
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Like martensitic transformations (MTs), inverse martensitic transformations (IMTs) are shear-dominant diffusionless transformations, but are driven by reduction in interfacial energies rather than bulk free energies, and exhibit distinctive behavior such as instantaneous initiation (like spinodal decomposition) and self-limiting lengthscale. Bulk Zr metal is known to undergo normal MT from the high-temperature bcc phase to the low-temperature hcp phase. Using molecular dynamics simulations we demonstrate that, unlike in the bulk, an IMT to the bcc structure can occur in (1100)-oriented hcp Zr nanowires at low temperatures, which is driven by the reduction in the nanowire surface energy. The bcc domains subsequently become distorted and transform into a new (1120)-oriented hcp domain, leading to reorientation of the nanowire. This behavior has implications for the study of structural transformations at the nanoscale and surface patterning.