MD:App:Interfaces

Application example: Strength of Al/Si₃N₄ interfaces

Strength of Al/Si3N4 interfaces

Summary:

The stability of an Al/Si₃N₄ interfaces is predicted by Ab Initio calculations (VASP).
The N-terminated Al/Si₃N₄ interface is found to be more stable than the Si terminated one.

Task:

	Optimize initial bulk structures of Al and b-Si₃N₄
	Construct surface structures Al(100) and b-Si₃N₄ (100)
	Search and construct suitable interface structures
	Optimize interface gap
	Calculate interface adhesion

Tools

MedeA, InfoMaticA, Surface builder, Interface builder, VASP

Results:

	Work of separation for the N terminated Al/Si₃N₄ interface: 7.41 J/m2
	Work of separation for the Si terminated Al/Si₃N₄ interface: 1.83 J/m2

Interface energy (eV)

Si/N terminated interface

Time to results:

24 h on a fourfold parallel Xeon cluster

Application example: Strength of Al/Si3N4 interfaces

Send mail to webmaster with questions or comments about this web site. Copyright © 02 April 2008 Materials Design, Inc.

Application example: Strength of Al/Si₃N₄ interfaces

Send mail to webmaster with questions or comments about this web site.
Copyright © 02 April 2008 Materials Design, Inc.