The effect of grain-size on fracture of polycrystalline silicon carbide: A multiscale analysis using a molecular dynamics-peridynamics framework

Computational Materials Science(2019)

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摘要
•A new multiscale method was used for examining fracture of polycrystalline 3C-SiC.•The multiscale method coupled molecular dynamics and mesoscale peridynamics.•Fracture strength followed a Hall-Petch like relation.•Fracture toughness increased with grain-size.
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关键词
3C-SiC,Grain boundaries,Polycrystalline,Molecular dynamics,Peridynamics,Multiscale modeling
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