Ab initio tensile experiment on a model of an intergranular glassy film in β-Si3N4 with prismatic surfaces | Zendy

W. Y. Ching | Zendy; Paul Rulis | Zendy; Lizhi Ouyang | Zendy; Anil Misra | Zendy

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Ab initio tensile experiment on a model of an intergranular glassy film in β-Si3N4 with prismatic surfaces

Author(s) -

W. Y. Ching,

Paul Rulis,

Lizhi Ouyang,

Anil Misra

Publication year - 2009

Publication title -

applied physics letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.182

H-Index - 442

eISSN - 1077-3118

pISSN - 0003-6951

DOI - 10.1063/1.3079800

Subject(s) - materials science , intergranular corrosion , ab initio , ultimate tensile strength , ab initio quantum chemistry methods , condensed matter physics , stress (linguistics) , composite material , crystallography , microstructure , chemistry , physics , molecule , linguistics , philosophy , organic chemistry

We report the results of a large-scale ab initio simulation of an intergranular glassy film (IGF) model in β-Si3N4. It is shown that the stress-strain behavior under uniaxial load in the model with prismatic surfaces and few defective bonds is very different from an earlier IGF model with basal planes. The results are explained by the fundamental electronic structure of the model.

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