0

Full Content is available to subscribers

Subscribe/Learn More  >

Molecular Dynamics Study on Phonon Dynamics in Single-Crystal Silicon and Argon

[+] Author Affiliations
Peng Xiao, Mitsuhiro Matsumoto, Tomohisa Kunisawa

Kyoto University, Kyoto, Kyoto, Japan

Paper No. HT2007-32661, pp. 81-86; 6 pages
doi:10.1115/HT2007-32661
From:
  • ASME/JSME 2007 Thermal Engineering Heat Transfer Summer Conference collocated with the ASME 2007 InterPACK Conference
  • ASME/JSME 2007 Thermal Engineering Heat Transfer Summer Conference, Volume 1
  • Vancouver, British Columbia, Canada, July 8–12, 2007
  • Conference Sponsors: Heat Transfer Division
  • ISBN: 0-7918-4274-6 | eISBN: 0-7918-3801-3
  • Copyright © 2007 by ASME

abstract

Modern semiconductor industry and nanotechnology have profoundly impacted the study on thermal transport in dielectric solids such as single-crystal silicon. For these heat conduction phenomena whose characteristic length and time shrink into nano scale, it is efficient to utilize phonon dynamics as a promising approach to investigate the fundamental features of heat transfer at nano scale as well as the distinguished thermal properties of nano-materials. A new computational method is proposed to explore phonon dynamics in single-crystals on the basis of classical Molecular Dynamics technique. This method utilizes the Fourier-Laplace transformation of molecular trajectory, with anharmonicity of molecular vibrations accounted in the investigation on phonon dynamics. Instantaneous mode-dependent energy of phonons and density of vibration state is obtained at each simulated time step. Mode-dependent phonon relaxation is simulated and verified with perturbation method, which gives a way to measure relaxation time of single-mode phonon. The feasibility of the proposed scheme is confirmed by a series of simulations which are carried out in this paper on 1) monatomic crystal of argon with FCC structure and 2) diatomic crystal of silicon with diamond structure, under Lennard-Jones 6-12 potential and Tersoff-1989 model, respectively.

Copyright © 2007 by ASME

Figures

Tables

Interactive Graphics

Video

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

NOTE:
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