Tensile deformation induced structural rearrangement in amorphous silicon nitride

N Liao and W Xue and P Yang and M Zhang, JOURNAL OF STRUCTURAL CHEMISTRY, 53, 215-219 (2012).

DOI: 10.1134/S0022476612020023

Silicon nitride exhibits good mechanical properties and thermal stability at high temperatures. Since experiments have limitations in nanoscale characterization of the chemical structure and related properties, atomistic simulation is a proper way to investigate the mechanism of this unique feature. In this paper, the melt-quench method is used to generate the amorphous structure of silicon nitride; then the structural properties of silicon nitride under tensile deformation were studied by angular pair distribution functions. The corresponding mechanism of tensile stress induced structure rearrangement is explored.

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