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

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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.",

author = "Kenji Tsuruta and Andrey Omeltchenko and Aiichiro Nakano and Kalia, {Rajiv K.} and Priya Vashishta",

year = "1997",

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language = "English",

volume = "457",

pages = "205--210",

journal = "Materials Research Society Symposium - Proceedings",

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note = "Proceedings of the 1996 MRS Fall Symposium ; Conference date: 02-12-1996 Through 05-12-1996",

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T1 - Structure mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics

AU - Tsuruta, Kenji

AU - Omeltchenko, Andrey

AU - Nakano, Aiichiro

AU - Kalia, Rajiv K.

AU - Vashishta, Priya

PY - 1997/1/1

Y1 - 1997/1/1

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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M3 - Conference article

AN - SCOPUS:0030676620

VL - 457

SP - 205

EP - 210

JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

SN - 0272-9172

T2 - Proceedings of the 1996 MRS Fall Symposium

Y2 - 2 December 1996 through 5 December 1996

ER -

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

Abstract

ASJC Scopus subject areas

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