Structure, mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics
- Louisiana State Univ., Baton Rouge, LA (United States)
Million-atom molecular-dynamics (MD) simulations are performed to study the structure, mechanical properties, and dynamic fracture in nanophase Si{sub 3}N{sub 4}. The authors find that intercluster regions are highly disordered: 50% of Si atoms in intercluster regions are three-fold coordinated. Elastic moduli of nanophase Si{sub 3}N{sub 4} as a function of grain size and porosity are well described by a multiphase model for heterogeneous materials. The study of fracture in the nanophase Si{sub 3}N{sub 4} reveals that the system can sustain an order-of-magnitude larger external load than crystalline Si{sub 3}N{sub 4}. This is due to branching and pinning of the crack front by nanoscale microstructures.
- OSTI ID:
- 522309
- Report Number(s):
- CONF-961202--; ISBN 1-55899-361-4
- Country of Publication:
- United States
- Language:
- English
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