Friedel oscillations are limiting the strength of superhard nanocomposites and heterostructures.

نویسندگان

  • R F Zhang
  • A S Argon
  • S Veprek
چکیده

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.

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عنوان ژورنال:
  • Physical review letters

دوره 102 1  شماره 

صفحات  -

تاریخ انتشار 2009