Nontrivial nanostructure, stress relaxation mechanisms, and crystallography for pressure-induced Si-I → Si-II phase transformation

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Levitas, Valery I.
Popov, Dmitry
Velisavljevic, Nenad
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Springer Nature
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Aerospace Engineering

The Department of Aerospace Engineering seeks to instruct the design, analysis, testing, and operation of vehicles which operate in air, water, or space, including studies of aerodynamics, structure mechanics, propulsion, and the like.

The Department of Aerospace Engineering was organized as the Department of Aeronautical Engineering in 1942. Its name was changed to the Department of Aerospace Engineering in 1961. In 1990, the department absorbed the Department of Engineering Science and Mechanics and became the Department of Aerospace Engineering and Engineering Mechanics. In 2003 the name was changed back to the Department of Aerospace Engineering.

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Mechanical Engineering
The Department of Mechanical Engineering at Iowa State University is where innovation thrives and the impossible is made possible. This is where your passion for problem-solving and hands-on learning can make a real difference in our world. Whether you’re helping improve the environment, creating safer automobiles, or advancing medical technologies, and athletic performance, the Department of Mechanical Engineering gives you the tools and talent to blaze your own trail to an amazing career.
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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} interface with Si-I and produce almost self-accommodated nanostructure despite the large transformation volumetric strain of −0.237. The interfacial bands arrest the {111} interfaces, leading to repeating nucleation-growth-arrest process and to growth by propagating {110} interface, which (as well as {111} interface) do not appear in traditional crystallographic theory.
This article is published as Chen, Hao, Valery I. Levitas, Dmitry Popov, and Nenad Velisavljevic. "Nontrivial nanostructure, stress relaxation mechanisms, and crystallography for pressure-induced Si-I→ Si-II phase transformation." Nature Communications 13, no. 1 (2022): 1-6. DOI: 10.1038/s41467-022-28604-1. Copyright 2022 The Author(s). This article is licensed under a Creative Commons Attribution 4.0 International License. Posted with permission.