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Journal of Structural Chemistry

2012 year, number 2

TENSILE DEFORMATION INDUCED STRUCTURAL REARRANGEMENT IN AMORPHOUS SILICON NITRIDE

N. Liao1, W. Xue1, P. Yang2, M. Zhang1
1 College of Mechanical and Electrical Engineering, Wenzhou University
2 Laboratory of Materials and Micro-Structural Integrity, Jiangsu University
Keywords: silicon nitride, molecular dynamics, tensile deformation, amorphous structure
Pages: 219-223

Abstract

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.