Structure mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics

Kenji Tsuruta; Andrey Omeltchenko; Aiichiro Nakano; Rajiv K. Kalia; Priya Vashishta

Structure mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics

Kenji Tsuruta, Andrey Omeltchenko, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta

Research output: Contribution to journal › Conference article › peer-review

Abstract

Million-atom molecular-dynamics (MD) simulations are performed to study the structure, mechanical properties, and dynamic fracture in nanophase Si₃N₄. We find that intercluster regions are highly disordered: 50% of Si atoms in intercluster regions are three-fold coordinated. Elastic moduli of nanophase Si₃N₄ 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 Si₃N₄ reveals that the system can sustain an order-of-magnitude larger external load than crystalline Si₃N₄. This is due to branching and pinning of the crack front by nanoscale microstructures.

Original language	English
Pages (from-to)	205-210
Number of pages	6
Journal	Materials Research Society Symposium - Proceedings
Volume	457
Publication status	Published - Jan 1 1997
Externally published	Yes
Event	Proceedings of the 1996 MRS Fall Symposium - Boston, MA, USA Duration: Dec 2 1996 → Dec 5 1996

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

Cite this

Structure mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics. / Tsuruta, Kenji; Omeltchenko, Andrey; Nakano, Aiichiro; Kalia, Rajiv K.; Vashishta, Priya.

In: Materials Research Society Symposium - Proceedings, Vol. 457, 01.01.1997, p. 205-210.

Research output: Contribution to journal › Conference article › peer-review

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title = "Structure mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics",

abstract = "Million-atom molecular-dynamics (MD) simulations are performed to study the structure, mechanical properties, and dynamic fracture in nanophase Si3N4. We find that intercluster regions are highly disordered: 50% of Si atoms in intercluster regions are three-fold coordinated. Elastic moduli of nanophase Si3N4 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 Si3N4 reveals that the system can sustain an order-of-magnitude larger external load than crystalline Si3N4. This is due to branching and pinning of the crack front by nanoscale microstructures.",

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AU - Tsuruta, Kenji

AU - Omeltchenko, Andrey

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AU - Vashishta, Priya

PY - 1997/1/1

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N2 - Million-atom molecular-dynamics (MD) simulations are performed to study the structure, mechanical properties, and dynamic fracture in nanophase Si3N4. We find that intercluster regions are highly disordered: 50% of Si atoms in intercluster regions are three-fold coordinated. Elastic moduli of nanophase Si3N4 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 Si3N4 reveals that the system can sustain an order-of-magnitude larger external load than crystalline Si3N4. This is due to branching and pinning of the crack front by nanoscale microstructures.

AB - Million-atom molecular-dynamics (MD) simulations are performed to study the structure, mechanical properties, and dynamic fracture in nanophase Si3N4. We find that intercluster regions are highly disordered: 50% of Si atoms in intercluster regions are three-fold coordinated. Elastic moduli of nanophase Si3N4 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 Si3N4 reveals that the system can sustain an order-of-magnitude larger external load than crystalline Si3N4. This is due to branching and pinning of the crack front by nanoscale microstructures.

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Structure mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics

Abstract

ASJC Scopus subject areas

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