Temperature dependence of Self-diffusion coefficient (SDC) of liquid aluminum using Embedded Atom Method-Finnis-Sinclair (EAMFS) Potential
2018
NENUWE, ON | OSAFILE, OE
Atomistix tool kit force field calculations have been done, using the embedded atom method-Finnis-Sinclair potential as implemented in Virtual Nano Lab-Atomistix Tool Kit (VNL-ATK) to study the temperature dependence of self-diffusion coefficient of liquid aluminum. Also, we calculated the shear viscosity from the Sutherland-Einstein relation, and reports that, the calculated SDC and viscosity are sensitive to temperature. Results obtained at 980, 1020 and 1060K for SDC underestimated available experimental results, while the calculated results for viscosity at 1000 and 1200K overestimated experimental data available in the literature. The underestimation might be due to the shortrange order in liquid Al.
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