An investigation of thermal conductivity of silicon as a function of isotope concentration by molecular dynamics

Atsushi Murakawa, Hideo Ishii, Koichi Kakimoto

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

Thermal conductivity of solid silicon as a function of the mole fraction of isotopes was investigated by molecular dynamics simulation. The thermal conductivity of isotope-silicon was calculated by using an empirical potential of Stillinger-Weber potential. We employed equilibrium molecular dynamics based on Green-Kubo's formula in which the autocorrelation function of heat flux was integrated as a function of duration time. The results of calculation showed that thermal conductivity of mixed isotope-silicon is smaller than that of pure isotope silicon. The results also showed that a pure isotope with a light mass has a large thermal conductivity.

Original languageEnglish
Pages (from-to)452-457
Number of pages6
JournalJournal of Crystal Growth
Volume267
Issue number3-4
DOIs
Publication statusPublished - Jul 1 2004

Fingerprint

silicon isotopes
Silicon
Isotopes
Molecular dynamics
Thermal conductivity
thermal conductivity
isotopes
molecular dynamics
silicon
Thermal conductivity of solids
autocorrelation
heat flux
Autocorrelation
Heat flux
Computer simulation
simulation

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Inorganic Chemistry
  • Materials Chemistry

Cite this

An investigation of thermal conductivity of silicon as a function of isotope concentration by molecular dynamics. / Murakawa, Atsushi; Ishii, Hideo; Kakimoto, Koichi.

In: Journal of Crystal Growth, Vol. 267, No. 3-4, 01.07.2004, p. 452-457.

Research output: Contribution to journalArticle

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