Multiscale Modeling for Predicting the Mechanical Properties of Silicon Carbide Ceramics


Silicon carbide (SiC) is one of the advanced ceramics, which is widely used in industries due to its excellent mechanical properties. Understanding the relations between its microstructure and the mechanical properties is critical to adopting SiC ceramics in different applications. In this paper, a multiscale model incorporating a cohesive zone model is proposed to predict the mechanical properties of SiC ceramics. Interatomic potentials are developed using ab initio calculation to more accurately calculate the SiC behaviors in molecular dynamics modeling. The proposed multiscale model is used to predict the mechanical properties of SiC ceramics and their relations with the grain size distribution in the finite element framework. A good agreement is found between prediction results and experimental measurements. Successfully predicting its mechanical behaviors could help selection of parameters during processing of SiC ceramics under different conditions.


Mechanical and Aerospace Engineering

Research Center/Lab(s)

Intelligent Systems Center

Keywords and Phrases

Calculations; Finite element method; Forecasting; Grain size and shape; Mechanical properties; Molecular dynamics; Silicon carbide; Surface morphology; Ab initio calculations; Cohesive zone model; Grain size distribution; Interatomic potential; Molecular dynamics modeling; Multi-scale Modeling; Silicon carbide ceramic; Silicon carbides (SiC); Ceramic materials

International Standard Serial Number (ISSN)

0002-7820; 1551-2916

Document Type

Article - Journal

Document Version


File Type





© 2016 Blackwell Publishing, All rights reserved.

Publication Date

01 Mar 2016