The Diffusion Isotope Effect and Diffusion Mechanism in Liquid Cu-Ag and Cu-Ni Alloys

Abstract:

In this paper, the diffusion isotope effect and diffusion mechanism are investigated by means of molecular dynamics simulations in two liquid alloys, Ni-Ag and Ni-Cu. The values for the diffusion isotope effect parameter allow for the estimate of the number of atoms which are moving cooperatively in a basic diffusion event as experienced by a given atomic species. It is shown that the composition dependence of N_D is typically very small. However, the temperature dependence of this parameter is much more pronounced. In addition, it is shown that, on average, in these alloys and temperatures considered, N_D is limited to the range: 5<N_D<17. This is consistent with results of molecular dynamics simulations on the average coordination number calculations. This would suggest that, together with a given atom, depending on temperature, the neighbouring atoms are all involved in the basic diffusion event.

• Periodical: Defect and Diffusion Forum (Volume 413)
• Pages: 136-145
• DOI: https://doi.org/10.4028/www.scientific.net/DDF.413.136
• Online since: December 2021
• Authors: Ujjal Sarder, Tumpa R. Paul, Irina V. Belova, Graeme E. Murch*
• Keywords: Cu-Ag, Cu-Ni, Diffusion Mechanism, Isotope Effect, Liquid Alloys

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