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Molecular Dynamics Prediction of the Thermal Conductivity of Si/Si1−xGex Superlattices

[+] Author Affiliations
E. S. Landry, A. J. H. McGaughey

Carnegie Mellon University, Pittsburgh, PA

M. I. Hussein

University of Colorado at Boulder, Boulder, CO

Paper No. IMECE2007-43177, pp. 1145-1152; 8 pages
  • ASME 2007 International Mechanical Engineering Congress and Exposition
  • Volume 10: Mechanics of Solids and Structures, Parts A and B
  • Seattle, Washington, USA, November 11–15, 2007
  • Conference Sponsors: ASME
  • ISBN: 0-7918-4304-1 | eISBN: 0-7918-3812-9
  • Copyright © 2007 by ASME


Molecular dynamics simulations and the non-equilibrium direct method are used to predict the effective cross-plane thermal conductivity of Si/Si1 −x Gex superlattices modeled by the Stillinger-Weber potential. The experimentally observed thermal conductivity design space and the methodology of making the thermal conductivity prediction with the direct method are reviewed. Preliminary results for the thermal conductivity prediction of a Si/Si0.7 Ge0.3 at a temperature of 500 K are discussed.

Copyright © 2007 by ASME



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