20th International CODATA Conference
Session: Computational informatics: integrating data science with materials modeling

Composite material design and property prediction

using materials database

Masayoshi Yamazaki

Authors: Yibin Xu, Masayoshi Yamazaki, Koich Yagi

The National Institute for Materials Science

Tokyo, Japan

CompoTherm, a thermophysical property prediction system for composite materials has been developed by National Institute for Materials Science (NIMS) and opened to the Internet access (http://composite.nims.go.jp/) since April 1^st, 2005. This system offers users a platform to design a new composite material using the materials stored in multiple NIMS Materials Databases (http://mits.nims.go.jp/db_top_eng.htm), and predict the thermophysical properties such as density, specific heat, thermal conductivity and thermal diffusivity of the designed material, basing on the property data of the component materials and the composite structure. Tow simulation methods, analytical method and finite element method are provided to calculate the thermal conductivity of composite materials. And a knowledge base is available to help the users to understand the theoretical foundation of composite material design and property prediction.

The system have been used to calculate the interfacial thermal conductance of SiC-particles-reinforced aluminum alloy matrix composites, the thermal conductivities of SiC-whisker-reinforced aluminum alloy matrix composites and thermal-sprayed Zr₂O thermal barrier coatings. The calculated values are in good agreement with the experimental ones.