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A Molecular Dynamics Simulation of High Strain-rate Deformation in Nanocrystalline Silicon Carbide

Published online by Cambridge University Press:  18 August 2011

Yifei Mo
Affiliation:
Department of Materials Science and Engineering, University of Wisconsin, Madison, WI, 53706
Izabela Szlufarska
Affiliation:
Department of Materials Science and Engineering, University of Wisconsin, Madison, WI, 53706
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Abstract

Multi-million atom molecular dynamics simulations of tensile testing have been performed on nc-SiC. Reduction of grain size promotes simultaneous enhancement of ductility, toughness, and strength. Simulations show that the nc-SiC fails by intergranular fracture preceded by atomic level necking. Atomic diffusion can prevent premature cavitation and failure, and therefore it sets an upper limit on high strain-rate deformations of ceramics. We report a non-diffusional mechanism for suppressing premature cavitation, which is based on unconstrained plastic flow at grain boundaries. In addition, based on the composite's rule of mixture, we estimate Young's modulus of random high-angle grain boundaries in nc-SiC to be about 130 GPa. The effect of temperature and strain rate on mechanical properties is studied.

Type
Research Article
Copyright
Copyright © Materials Research Society 2007

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References

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