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Molecular Dynamics Simulations of Nanoindentation of Silicon Nitride

Published online by Cambridge University Press:  15 February 2011

Phillip Walsh ,
Andrey Omeltchenko ,
Hideaki Kikuchi ,
Rajiv K. Kalia ,
Aiichiro Nakano  and
Priya Vashishta
Phillip Walsh
Affiliation:
Concurrent Computing Laboratory for Materials Simulation, Department of Physics & Astronomy and Department of Computer Science, Louisiana State University, Baton Rouge, LA, 70803-4001
Andrey Omeltchenko
Affiliation:
Concurrent Computing Laboratory for Materials Simulation, Department of Physics & Astronomy and Department of Computer Science, Louisiana State University, Baton Rouge, LA, 70803-4001
Hideaki Kikuchi
Affiliation:
Concurrent Computing Laboratory for Materials Simulation, Department of Physics & Astronomy and Department of Computer Science, Louisiana State University, Baton Rouge, LA, 70803-4001
Rajiv K. Kalia
Affiliation:
Concurrent Computing Laboratory for Materials Simulation, Department of Physics & Astronomy and Department of Computer Science, Louisiana State University, Baton Rouge, LA, 70803-4001
Aiichiro Nakano
Affiliation:
Concurrent Computing Laboratory for Materials Simulation, Department of Physics & Astronomy and Department of Computer Science, Louisiana State University, Baton Rouge, LA, 70803-4001
Priya Vashishta
Affiliation:
Concurrent Computing Laboratory for Materials Simulation, Department of Physics & Astronomy and Department of Computer Science, Louisiana State University, Baton Rouge, LA, 70803-4001
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Abstract

This is a report of work in progress on 10 million atom Molecular Dynamics (MD) simulations of nanoindentation of crystalline and amorphous silicon nitride (Si3N4). Nanoindentation is used to determine mechanical properties of extremely thin films such as hardness and elastic moduli. We report load-displacement curves for several Si3N4 configurations using an idealized non-deformable indenter and analyze the local stress distributions in the vicinity of the indenter tip. Preliminary results for surface adhesion using Si3N4 for both tip and substrate are also reported.

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