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 |
|---|---|
| Title of host publication | Materials Research Society Symposium - Proceedings |
| Editors | E.P. George, R. Gotthardt, K. Otsuka, S. Trolier-McKinstry, M. Wun-Fogle |
| Publisher | Materials Research Society |
| Pages | 205-210 |
| Number of pages | 6 |
| Volume | 457 |
| Publication status | Published - 1997 |
| Externally published | Yes |
| Event | Proceedings of the 1996 MRS Fall Symposium - Boston, MA, USA Duration: Dec 2 1996 → Dec 5 1996 |
Other
| Other | Proceedings of the 1996 MRS Fall Symposium |
|---|---|
| City | Boston, MA, USA |
| Period | 12/2/96 → 12/5/96 |
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ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
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.
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 proceeding › Conference contribution
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TY - GEN
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
Y1 - 1997
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.
UR - http://www.scopus.com/inward/record.url?scp=0030676620&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0030676620&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:0030676620
VL - 457
SP - 205
EP - 210
BT - Materials Research Society Symposium - Proceedings
A2 - George, E.P.
A2 - Gotthardt, R.
A2 - Otsuka, K.
A2 - Trolier-McKinstry, S.
A2 - Wun-Fogle, M.
PB - Materials Research Society
ER -