Issue 87, 2016

Transport properties and entropy-scaling laws for diffusion coefficients in liquid Fe0.9Ni0.1 up to 350 GPa

Abstract

Transport properties and entropy-scaling laws for diffusion coefficients in liquid Fe0.9Ni0.1 alloy under high pressure conditions have been studied by molecular dynamics simulations based upon the Quantum Sutton and Chen potential. We find that the entropy-scaling laws proposed independently by Rosenfeld and Dzugutov for diffusion coefficients under ambient pressure, approximating the excess entropy by the pair correlation entropy, can be fruitfully extended to liquid Fe–Ni alloy under high pressure conditions to understand and predict the transport properties of the Earth's core. In addition, our results suggest that the temperature dependence of the self-diffusion coefficient and viscosity follow the Arrhenius-type relation, and the activity energies for diffusion and viscosity increase with increasing pressure. The viscosity of liquid Fe0.9Ni0.1 alloy is slightly greater than that of pure liquid Fe, and lower than that of pure liquid Ni, at a given temperature and pressure. This result indicates that Ni has a slightly positive influence on the viscosity of liquid Fe–Ni alloy.

Graphical abstract: Transport properties and entropy-scaling laws for diffusion coefficients in liquid Fe0.9Ni0.1 up to 350 GPa

Article information

Article type
Paper
Submitted
14 Jun 2016
Accepted
31 Aug 2016
First published
01 Sep 2016

RSC Adv., 2016,6, 84420-84425

Transport properties and entropy-scaling laws for diffusion coefficients in liquid Fe0.9Ni0.1 up to 350 GPa

Q. Cao, P. Wang, J. Shao and F. Wang, RSC Adv., 2016, 6, 84420 DOI: 10.1039/C6RA15211B

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