Full Content is available to subscribers

Subscribe/Learn More  >

Thin Film In-Plane Silicon Thermal Conductivity Dependence on Molecular Dynamics Surface Boundary Conditions

[+] Author Affiliations
Carlos J. Gomes, Marcela Madrid, Cristina H. Amon

Carnegie Mellon University

Paper No. IMECE2004-62264, pp. 345-352; 8 pages
  • ASME 2004 International Mechanical Engineering Congress and Exposition
  • Electronic and Photonic Packaging, Electrical Systems Design and Photonics, and Nanotechnology
  • Anaheim, California, USA, November 13 – 19, 2004
  • Conference Sponsors: Electronic and Photonic Packaging Division
  • ISBN: 0-7918-4707-1 | eISBN: 0-7918-4178-2, 0-7918-4179-0, 0-7918-4180-4
  • Copyright © 2004 by ASME


The in-plane thermal conductivity of thin silicon films is predicted using equilibrium molecular dynamics, the Stillinger-Weber potential and the Green-Kubo relationship. Film thicknesses range from 2 to 200 nm. Periodic boundary conditions are used in the directions parallel to the thin film surfaces. Two different strategies are evaluated to treat the atoms on the surfaces perpendicular to the thin film direction: adding four layers of atoms kept frozen at their crystallographic positions, or restraining the atoms near the surfaces with a repulsive potential. We show that when the thin-film thickness is smaller than the phonon mean free path, the predictions of the in-plane thermal conductivity at 1000K differ significantly depending on the potential applied to the atoms near the surfaces. In this limit, the experimentally observed trend of decreasing thermal conductivity with decreasing film thickness is predicted when the surface atoms are subject to a repulsive potential in addition to the Stillinger-Weber potential, but not when they are limited by frozen atoms.

Copyright © 2004 by ASME



Interactive Graphics


Country-Specific Mortality and Growth Failure in Infancy and Yound Children and Association With Material Stature

Use interactive graphics and maps to view and sort country-specific infant and early dhildhood mortality and growth failure data and their association with maternal

Citing articles are presented as examples only. In non-demo SCM6 implementation, integration with CrossRef’s "Cited By" API will populate this tab (http://www.crossref.org/citedby.html).

Some tools below are only available to our subscribers or users with an online account.

Related Content

Customize your page view by dragging and repositioning the boxes below.

Related eBook Content
Topic Collections

Sorry! You do not have access to this content. For assistance or to subscribe, please contact us:

  • TELEPHONE: 1-800-843-2763 (Toll-free in the USA)
  • EMAIL: asmedigitalcollection@asme.org
Sign In