Molecular-dynamics simulations of silicene nanoribbons under strain

Authors

  • Alper İnce,

    1. Micro and Nanotechnology Program, Graduate School of Natural and Applied Sciences, Middle East Technical University, 06531 Ankara, Turkey
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  • Şakir Erkoç

    Corresponding author
    1. Micro and Nanotechnology Program, Graduate School of Natural and Applied Sciences, Middle East Technical University, 06531 Ankara, Turkey
    2. Department of Physics, Middle East Technical University, 06531 Ankara, Turkey
    • Phone: +90 312 2103285, Fax: +90 312 2105099
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Abstract

Structural properties of silicene nanoribbons (SiNRs) of varying width have been investigated under 5% and 10% uniaxial strain via classical Molecular-Dynamics simulations at 1 and 300 K temperatures by the aid of atomistic many-body potential energy functions (PEFs). It has been found that under strain, SiNRs show such material properties: they are very ductile, with considerable toughness and a very long plastic range before fragmentation.

original image

Behavior of silicene nanoribbon under uniaxial strain: 2D structure changes to 1D gradually. The figure shows the mid-steps (steps #3–#5) of an eight-step stain application.

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