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Molecular Dynamics Simulations of Nanocomposite Diamond-Like Carbon

[+] Author Affiliations
G. T. Gao, J. D. Schall, K. Van Workum, P. T. Mikulski, J. A. Harrison

U.S. Naval Academy, Annapolis, MD

Paper No. WTC2005-63255, pp. 235-236; 2 pages
doi:10.1115/WTC2005-63255
From:
  • World Tribology Congress III
  • World Tribology Congress III, Volume 1
  • Washington, D.C., USA, September 12–16, 2005
  • Conference Sponsors: Tribology Division
  • ISBN: 0-7918-4201-0 | eISBN: 0-7918-3767-X

abstract

A constant tension and constant temperature molecular dynamics simulation method was used in the calculations of the elastic constants of the nanocomposite systems. The nanocomposite systems contain a core of sp3 diamond structure surrounded by an amorphous carbon network. The simulation results show that the elastic properties of nanocomposites of diamond-like carbons are closely related to the size of the sp3 diamond core; the bigger the core, the larger the elastic constants, and the system becomes more anisotropic.

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