[2G17-22] Tungsten

[2G22] Molecular dynamics calculation of thermal conductivity of tungsten with different distribution of vacancies

*Daigo Kanamori¹, Keisuke Mukai^1,2, Takeo Hoshi^1,2, Takuya Nagasaka^1,2 (1. The Graduate University for Advanced Studies, 2. National Institute for Fusion Science)

Keywords:Nuclear materials, molecular dynamics, thermal conductivity

Tungsten materials are promising candidates to withstand high heat flux in fusion reactors, but it is known that irradiation of particles from the plasma changes the material properties. Although there have been previous studies that have investigated the thermal conductivity of tungsten with irradiation-induced defects (such as helium bubbles) by molecular dynamics, few studies have discussed the effect of the fraction and distribution of vacancies on the thermal conductivity. Therefore, in this study, the temperature dependence of the lattice thermal conductivity of tungsten with vacancies was calculated by nonequilibrium molecular dynamics. The calculation was conducted by LAMMPS. We report the results of the calculation of temperature dependence of lattice thermal conductivity of tungsten with different distribution of vacancies and discuss how the different distribution affects the temperature dependence of lattice thermal conductivity.