Molecular Dynamics Investigation of Thermophysical Properties of Nickel in liquid phase

Nelson Oyindenyifa Nenuwe, Ezekiel O Agbalagba, Edison A Enaibe


The thermophysical properties self-diffusion coefficient and viscosity of face centered cubic nickel (Ni) in liquid phase are studied by the method of molecular dynamics (MD) simulations with the embedded atom method-Finnis-Sinclair potential to model the interactions between the nickel atoms. Results obtained for self-diffusion and viscosity coefficients are compared with recent experimental and theoretical values. We also examined the validity of the Sutherland-Einstein relation between self-diffusion coefficient and viscosity for liquid Ni. Our results for self-diffusion coefficients, though overestimated experimental data, are found to be closer to experimental values than other theoretical results. While the viscosity coefficients underestimated experimental results. The knowledge of these properties has useful applications in the metallurgical industry.

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