Structural modelling of nano-amorphous Si-O-N films in silicon nitride ceramics

D. Nguyen-Manh, D. J.H. Cockayne, M. Doeblinger, C. Marsh, A. P. Sutton, Adri Van Duin

Research output: Contribution to journalConference articlepeer-review

4 Scopus citations


In order to obtain a detailed computational description of the structure and fundamental properties of silicon oxynitride films as thin as 1nm in Si 3N4 ceramics, a reliable and transferable many-body inter-atomic potential has been developed for Si-N-O systems and used to perform molecular dynamic (MD) simulations. The modelling results of radial distribution function (RDF) are well compared with experimental measured ones for the inter-granular glassy films (IGFs). The predicted variation of bond-order around Si atoms allow to compare with spatially resolved electron energy loss spectroscopy (SR-EELS) studies of compositional and chemical profiles of O and N atoms across IGFs.

Original languageEnglish (US)
Pages (from-to)139-142
Number of pages4
JournalInstitute of Physics Conference Series
StatePublished - Oct 19 2004
EventElectron Microscopy and Analysis 2003 - Proceedings of the Institute of Physics Electron Microscopy and Analysis Group Conference - Oxford, United Kingdom
Duration: Sep 3 2003Sep 5 2003

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)


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