Friedel Oscillations are Limiting the Strength of Superhard Nanocomposites and Heterostructures
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Zhang-2009-Friedel Oscillations.pdf
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Author(s)
Veprek, S.
Argon, Ali Suphi
Zhang, R. F.
Date Issued
January 2009
Journal
Physical Review Letters
Publisher
American Physical Society
Citation
Zhang, R. F., A. S. Argon, and S. Veprek. “Friedel Oscillations are Limiting the Strength of Superhard Nanocomposites and Heterostructures.” Physical Review Letters 102.1 (2009): 015503. (C) 2010 The American Physical Society.
Version
Final published version
Abstract
To obtain a deeper understanding of the mechanism of plastic deformation and failure in superhard nanocomposites and heterostructures we studied, by means of the ab initio density functional theory, the stress-strain response and the change of the electronic structure during tensile and shear deformation of a prototype interfacial systems consisting of 1 monolayer SiN sandwiched between a few nm thick TiN layers. This shows that peak Friedel oscillations of valence charge density weaken the Ti-N interplanar bonds next to that interface, where decohesion in tension and slip in shear occurs. These results provide ways to design new, stronger and harder materials.
MIT Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
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DOI of Published Version
http://dx.doi.org/10.1103/PhysRevLett.102.015503
