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Tensile Mechanical Responses of β-Si3N4 Nanowires Along the [10 10] Direction Under Different Loading Temperatures and Extreme Strain Rates: A Molecular Dynamics Study

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Molecular dynamics simulations are employed to qualitatively assess the tensile mechanical response of a β-Si3N4 nanowire subjected to various loading conditions in the [10 10] direction. We found that the nanowire displayed linear (ε < 0.025) and nonlinear (ε > 0.025) stress–strain response and that the fracture stresses and strains decreased gradually with the increase in loading temperature, which is attributed to the formation of a large number of Si–Si bonds and the single N-atom defects. As the strain rate increased, an obvious increase in fracture stress and strain was observed. High strain rates are responsible for the appearance of two types of defects and then lead to the delay of crack initiation. This is probably related to the response tendency of an impact deformation. The insight into the effects of the loading conditions on mechanical behaviors is expected to guide the design strategies aimed at creating reliable Si3N4-based nanodevices.
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Keywords: FRACTURE MECHANISM; MOLECULAR DYNAMICS; NANOWIRE; SILICON NITRIDE; TENSILE MECHANICAL RESPONSE

Document Type: Short Communication

Publication date: March 1, 2017

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  • Nanoscience and Nanotechnology Letters (NNL) is a multidisciplinary peer-reviewed journal consolidating nanoscale research activities in all disciplines of science, engineering and medicine into a single and unique reference source. NNL provides the means for scientists, engineers, medical experts and technocrats to publish original short research articles as communications/letters of important new scientific and technological findings, encompassing the fundamental and applied research in all disciplines of the physical sciences, engineering and medicine.
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