Investigation of the nanomechanical properties of beta-Si3N4 nanowires under three-point bending via molecular dynamics simulation

XF Lu and HJ Wang and M Chen and L Fan and C Wang and SH Jia, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 15, 6175-6178 (2013).

DOI: 10.1039/c3cp50372k

The nanowire with an aspect ratio of 3 : 1 possesses a higher bending stress of 15.85 GPa. It can be observed that the initial Si-Si bond and N atom defects with a coordination number of 2, subsequently evolving to 0 and 1, with Si evolving from 5 to 6 and 7, are mainly responsible for the final fracture.

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