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Theoretical Investigation of Atomic Transport Properties of 4d Transition Metals in Liquid Phase

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Abstract:

Present article deals with atomic transport properties like self-diffusion coefficient (D) and viscosity coefficient (η) of 4d transition metals in liquid state. To describe structural information we have used different reference systems like Percus - Yevick Hard Sphere (PYHS), One Component Plasma (OCP) and Charge Hard Sphere (CHS) systems alongwith our newly constructed parameter free model potential. To see the effect of different correction functions on atomic transport properties, we have used different local field correction functions like Hartree (H), Vashishta-Singwi (VS), Hubbard-Sham (HS), Sarkar et al (S), Ichimaru-Utsumi (IU), Taylor (T) and Farid et al (F). From the present results we conclude that our newly constructed model potential successfully calculated atomic transport properties of 4d transition metals in liquid phase.

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Periodical:

Advanced Materials Research (Volume 665)

Pages:

136-142

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.665.136

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Online since:

February 2013

Authors:

Pankajsinh B. Thakor, Y.A. Sonvane, Ashvin R. Jani

Keywords:

Atomic Transport Properties, Liquid Metals, Self-Diffusion Coefficient, Shear Viscosity

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