Molecular dynamics simulation of mass transfer in molten silicon

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The diffusion constant in a silicon melt is calculated using molecular dynamics simulation based on the modified Stillinger-Weber [Phys. Rev. B 31, 5262 (1985)] interatomic potential in the temperature range 1550 K<T<1900 K. Temperature dependence of the calculated diffusion constant can be expressed using the following equation: D=3.8×10-4 exp(-0.27 eV/kT)cm2/s. Viscosity of the silicon melt, which correlates to the diffusion constant, is also estimated using Eyring's relation reported by S. Glasstone, K. J. Laidler, and H. Eyring [McGraw-Hill, New York (1941)]. The calculated viscosity correlates well with experimental data which were obtained by an oscillating cup method except in the temperature range from 1550 to 1750 K.

Original languageEnglish
Pages (from-to)4122-4124
Number of pages3
JournalJournal of Applied Physics
Issue number8
Publication statusPublished - 1995
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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