Abstract
Thermal conductivity of solid silicon as a function of mole fraction of isotope was investigated by molecular dynamics simulation. An empirical potential of Stillinger-Weber potential was used to speculate thermal conductivity of isotope silicon. The equilibrium molecular dynamics based on Green-Kubo's formula was used to investigate thermal conductivity of silicon as a function of mole fraction of isotope. The calculation clarified that thermal conductivity of mixed isotope silicon has a half value of that of pure isotope silicon. The calculation also investigated that pure isotope with light mass has a large thermal conductivity.
