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Creators/Authors contains: "Velisavljevic, Nenad"

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  1. Abstract

    Crystallographic theory based on energy minimization suggests austenite-twinned martensite interfaces with specific orientation, which are confirmed experimentally for various materials. Pressure-induced phase transformation (PT) from semiconducting Si-I to metallic Si-II, due to very large and anisotropic transformation strain, may challenge this theory. Here, unexpected nanostructure evolution during Si-I → Si-II PT is revealed by combining molecular dynamics (MD), crystallographic theory, generalized for strained crystals, and in situ real-time Laue X-ray diffraction (XRD). Twinned Si-II, consisting of two martensitic variants, and unexpected nanobands, consisting of alternating strongly deformed and rotated residual Si-I and third variant of Si-II, form$$\{111\}$${111}interface with Si-I and produce almost self-accommodated nanostructure despite the large transformation volumetric strain of$$-0.237$$0.237. The interfacial bands arrest the$$\{111\}$${111}interfaces, leading to repeating nucleation-growth-arrest process and to growth by propagating$$\{110\}$${110}interface, which (as well as$$\{111\}$${111}interface) do not appear in traditional crystallographic theory.

  2. Free, publicly-accessible full text available January 4, 2023