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: Chapter in Book/Report/Conference proceedingConference contribution

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 languageEnglish
Title of host publicationMaterials Research Society Symposium - Proceedings
EditorsE.P. George, R. Gotthardt, K. Otsuka, S. Trolier-McKinstry, M. Wun-Fogle
PublisherMaterials Research Society
Pages205-210
Number of pages6
Volume457
Publication statusPublished - 1997
Externally publishedYes
EventProceedings of the 1996 MRS Fall Symposium - Boston, MA, USA
Duration: Dec 2 1996Dec 5 1996

Other

OtherProceedings of the 1996 MRS Fall Symposium
CityBoston, MA, USA
Period12/2/9612/5/96

Fingerprint

Silicon nitride
Molecular dynamics
Atoms
Mechanical properties
Porosity
Elastic moduli
Crystalline materials
Cracks
Microstructure
Computer simulation
silicon nitride

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials

Cite this

Tsuruta, K., Omeltchenko, A., Nakano, A., Kalia, R. K., & Vashishta, P. (1997). Structure mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics. In E. P. George, R. Gotthardt, K. Otsuka, S. Trolier-McKinstry, & M. Wun-Fogle (Eds.), Materials Research Society Symposium - Proceedings (Vol. 457, pp. 205-210). Materials Research Society.

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.

Materials Research Society Symposium - Proceedings. ed. / E.P. George; R. Gotthardt; K. Otsuka; S. Trolier-McKinstry; M. Wun-Fogle. Vol. 457 Materials Research Society, 1997. p. 205-210.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Tsuruta, K, Omeltchenko, A, Nakano, A, Kalia, RK & Vashishta, P 1997, Structure mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics. in EP George, R Gotthardt, K Otsuka, S Trolier-McKinstry & M Wun-Fogle (eds), Materials Research Society Symposium - Proceedings. vol. 457, Materials Research Society, pp. 205-210, Proceedings of the 1996 MRS Fall Symposium, Boston, MA, USA, 12/2/96.
Tsuruta K, Omeltchenko A, Nakano A, Kalia RK, Vashishta P. Structure mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics. In George EP, Gotthardt R, Otsuka K, Trolier-McKinstry S, Wun-Fogle M, editors, Materials Research Society Symposium - Proceedings. Vol. 457. Materials Research Society. 1997. p. 205-210
Tsuruta, Kenji ; Omeltchenko, Andrey ; Nakano, Aiichiro ; Kalia, Rajiv K. ; Vashishta, Priya. / Structure mechanical properties, and dynamic fracture in nanophase silicon nitride via parallel molecular dynamics. Materials Research Society Symposium - Proceedings. editor / E.P. George ; R. Gotthardt ; K. Otsuka ; S. Trolier-McKinstry ; M. Wun-Fogle. Vol. 457 Materials Research Society, 1997. pp. 205-210
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