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Brittle-to-ductile transition in fracture of few-layered black phosphorus ribbons under uniaxial stretching

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Abstract Owing to excellent electrical properties, few-layered black phosphorene (BP) ribbons will be wide used in nano-electro-mechanical systems. Before acting as a component in the nanosystem, they should be fabricated… Click to show full abstract

Abstract Owing to excellent electrical properties, few-layered black phosphorene (BP) ribbons will be wide used in nano-electro-mechanical systems. Before acting as a component in the nanosystem, they should be fabricated successfully. During peeling, pulling or cutting in fabrication of a few-layered BP ribbon, the load on it should be controlled to be less than its strength or ultimate strain. Otherwise, the ribbon will be broken which means a failed fabrication. For a deep understanding of the damage process, molecular dynamics simulations are adopted to illustrate the fracture of a few-layered BP ribbon under uniaxial stretching. Influence of both temperature and the thickness of the ribbon are discussed. The brittle-to-ductile transition of the three-dimensional fracture mode is discovered, and the mechanism is revealed.

Keywords: brittle ductile; fracture layered; fracture; ductile transition; layered black; uniaxial stretching

Journal Title: Computational Materials Science
Year Published: 2018

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