Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1522477 | Materials Chemistry and Physics | 2013 | 5 Pages |
Abstract
Silicon carbon nitride (SiCN) presents good performance at high temperature while it is difficult to ascertain the chemical structure of its nanodomain by experimental techniques. In this work, empirical potential based large-scale atomistic simulations are used to generate the amorphous structures of SiCN. The models obtained by melt-quench simulations reproduce the nano-domain structure of SiCN and the corresponding PDFs consist with previous DFT calculation and X-ray/Neutron Diffraction experiments. The calculated Young's moduli are comparable to the range of 160-240Â GPa in experiments, moreover, it increases with an increasing SiC content and decrease with temperature increases.
Related Topics
Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
Ningbo Liao, Wei Xue, Hongming Zhou, Miao Zhang,