First-principle calculation of Al2O3(012)/SiC(310) interface model

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Important Dates

Conference:

Apr. 22-24, 2019

Full Paper Due: Mar. 18, 2019

Abstract Due: Mar. 18, 2019

Audience Registration Due:
Apr. 22, 2019

Presentations of The Spring World Congress on Engineering and Technology (SCET 2017)

● First-principle calculation of Al2O3(012)/SiC(310) interface model
Author(s)
Tingting Zhou
Affiliation(s)
Qilu University of Technology
KEYWORDS
First-principle calculation, Al2O3(012)/SiC(310) interface model
ABSTRACT
First-principle calculation is carried out on Al2O3(012)/SiC(310) interface model. It can be concluded from the electronic density and population analysis that Al-C and O-Si located at grain boundary primarily contribute to the interface bonding strength and creep resistance property. The electronic charges in grain boundaries and grains are compared with each other. And the valence electrons are found to be redistributed. The relationship of all kinds of chemical bonds in grains and grain boundary of the interface model is analyzed. Also the toughening mechanism of Al2O3/SiC multi-phase ceramic tool materials is explained in nano-scale.