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Ab initio tensile experiment on a model of an intergranular glassy film in β-Si3N4 with prismatic surfaces
Ching, Wai-Yim Rulis, Paul Ouyang, Lizhi Misra, Anil
Ching, Wai-Yim
Rulis, Paul
Ouyang, Lizhi
Misra, Anil
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Abstract
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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This is the published version. Copyright 2009 American Institute of Physics
Date
2009
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American Institute of Physics
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Keywords
Chemical bonds, Fracture mechanics, Interface structure, Crystal structure, Experiment design
Citation
W.Y. Ching, Paul Rulis, Lizhi Ouyang, Anil Misra. Ab initio tensile experiment on a model of an intergranular glassy film in β-Si3N4 with prismatic surfaces. Applied Physics Letters, American Institute of Physics, 2009. http://dx.doi.org/10.1063/1.3079800