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Fracture in Silicon Nitride and Alumina thin Films: a Molecular Dynamics Study

Published online by Cambridge University Press:  10 February 2011

Timothy J. Campbell,
Aiichiro Nakano,
Andrey Omeltchenko,
Rajiv K. Kalia and
Priya Vashishta
Timothy J. Campbell
Affiliation:
Concurrent Computing Laboratory for Materials Simulations Department of Physics and Astronomy Department of Computer Science, Louisiana State University, Baton Rouge, LA 70803 campbell@rouge.phys.lsu.edu http://www.cclms.lsu.edu
Aiichiro Nakano
Affiliation:
Concurrent Computing Laboratory for Materials Simulations Department of Physics and Astronomy Department of Computer Science, Louisiana State University, Baton Rouge, LA 70803 campbell@rouge.phys.lsu.edu http://www.cclms.lsu.edu
Andrey Omeltchenko
Affiliation:
Concurrent Computing Laboratory for Materials Simulations Department of Physics and Astronomy Department of Computer Science, Louisiana State University, Baton Rouge, LA 70803 campbell@rouge.phys.lsu.edu http://www.cclms.lsu.edu
Rajiv K. Kalia
Affiliation:
Concurrent Computing Laboratory for Materials Simulations Department of Physics and Astronomy Department of Computer Science, Louisiana State University, Baton Rouge, LA 70803 campbell@rouge.phys.lsu.edu http://www.cclms.lsu.edu
Priya Vashishta
Affiliation:
Concurrent Computing Laboratory for Materials Simulations Department of Physics and Astronomy Department of Computer Science, Louisiana State University, Baton Rouge, LA 70803 campbell@rouge.phys.lsu.edu http://www.cclms.lsu.edu
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Abstract

Fracture in thin films of silicon nitride and alumina is investigated with large-scale multiresolution molecular-dynamics (MD) simulations on parallel computers. The simulations for alumina include dynamic charge transfer effects based on electronegativity equalization. Results for structural and dynamic correlations and the effects of temperature and orientation of film on fracture dynamics and morphology of fracture surfaces are presented.

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 446: Amorphous and Crystalline Insulating Thin Films–1996 , 1996, 163
Copyright
Copyright © Materials Research Society 1997

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