Title: Numerical investigation of amorphous silicon carbonitrides ceramics

Authors: Wei Xue; Ningbo Liao; Hongming Zhou; Miao Zhang

Addresses: College of Mechanical and Electrical Engineering, Wenzhou University, Wenzhou, 325035, China ' College of Mechanical and Electrical Engineering, Wenzhou University, Wenzhou, 325035, China ' College of Mechanical and Electrical Engineering, Wenzhou University, Wenzhou, 325035, China ' College of Mechanical and Electrical Engineering, Wenzhou University, Wenzhou, 325035, China

Abstract: Polymer-derived silicon carbonitrides (SiCN) ceramics are wide band gap semiconductors with excellent properties at high temperature, which are attributed to their unique nanostructure. As experiments still have problems to study the nano-structure of SiCN, in this work, molecular dynamics simulations were conducted to study the nano-structure of amorphous SiCN with different carbon contents. The results of bonds distribution, interfacial structure and Si-centred tetrahedrons give an insight on how composition influences the structures of nano-domain and domains interface.

Keywords: molecular dynamics; simulation; silicon carbonitrides; amorphous SiCN; nanostructure; nanotechnology; ceramics; wide band gap semiconductors; carbon content; bond distribution; interfacial structure; silicon-centred tetrahedrons.

DOI: 10.1504/IJMSI.2013.055111

International Journal of Materials and Structural Integrity, 2013 Vol.7 No.1/2/3, pp.139 - 143

Available online: 16 Jul 2013 *

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