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

W.Y. Ching (1) , Paul Rulis (1) , Lizhi Ouyang (2) , Anil Misra (3)

1 Department of Physics
2 Department of Physics and Mathematics [Nashville]
3 CEAE - Department of Civil, Environmental and Architectural Engineering

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

Domaines: Génie mécanique [physics.class-ph]; Génie mécanique [physics.class-ph]; Physique Générale [physics.gen-ph]

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, 2009, pp.051907-1 - 051907-3. ⟨hal-00556118⟩