Research on Silicon Content and Structure Relationship of Amorphous Si-DLC Films by Molecular Dynamics Simulations

  • H. Lan
  • T. Kumagai
  • T. Kato
Conference paper

DOI: 10.1007/978-3-642-03653-8_220

Cite this paper as:
Lan H., Kumagai T., Kato T. (2009) Research on Silicon Content and Structure Relationship of Amorphous Si-DLC Films by Molecular Dynamics Simulations. In: Luo J., Meng Y., Shao T., Zhao Q. (eds) Advanced Tribology. Springer, Berlin, Heidelberg

Abstract

Molecular dynamics simulations with increased cutoff parameters in an empirical Tersoff potential have been used to predict the three-dimensional structures of amorphous Si-DLC films at different silicon contents ranging from 0 to 0.2. The structures for these solid amorphous systems were generated by melting a cubic cell with 1000 atoms, followed by rapid quenching from the liquid phase. The results show that the microstructures of Si-DLC films have changed greatly with the silicon content and density. Furthermore, the sp3/sp2 ratio increases with an increase in silicon content, and silicon atoms are almost surrounded by carbon atoms.

Keywords

Si-DLC films Molecular dynamics Structures 

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Copyright information

© Tsinghua University Press, Beijing and Springer-Verlag Berlin Heidelberg 2009

Authors and Affiliations

  • H. Lan
    • 1
  • T. Kumagai
    • 2
  • T. Kato
    • 2
  1. 1.School of Mechanical, Electronic, and Control EngineeringBeijing Jiaotong UniversityBeijingChina
  2. 2.Department of Mechanical EngineeringThe University of TokyoTokyoJapan