Predicting structural properties of amorphous silicon carbonitride by atomistic simulation Online publication date: Thu, 06-Oct-2016
by Ningbo Liao; Miao Zhang; Rishi Raj; Sijia Zhou
International Journal of Materials and Structural Integrity (IJMSI), Vol. 10, No. 1/2/3, 2016
Abstract: Silicon carbonitride (SiCN) has superior mechanical properties at high temperature, but its structural properties in molecular scale are not clear. In this study, atomistic simulations were applied to study the molecular structure of amorphous SiCN. The atomistic structures obtained by large-scale molecular dynamics simulations agree with current experimental results, and moreover, provide more details on molecular structure. The Si-C bonds generally keep stable proportion for all the three cases, which means the additional carbon tends to form free carbon network rather than Si-C bonds. Si-CN3 is dominant inSi-C/N tetrahedron, and as expected the increase of C content in SiCN tends to form more Si-C2N2 and Si-C3N tetrahedra.
Existing subscribers:
Go to Inderscience Online Journals to access the Full Text of this article.
If you are not a subscriber and you just want to read the full contents of this article, buy online access here.Complimentary Subscribers, Editors or Members of the Editorial Board of the International Journal of Materials and Structural Integrity (IJMSI):
Login with your Inderscience username and password:
Want to subscribe?
A subscription gives you complete access to all articles in the current issue, as well as to all articles in the previous three years (where applicable). See our Orders page to subscribe.
If you still need assistance, please email subs@inderscience.com