Abstract
The recently developed by us semi-analytical representation of the mean spherical approximation in conjunction with the linear trajectory approximation is applied to the quantitative study of self-diffusivities in liquid Cu, Ag and Au at different temperatures. The square-well model is employed for the description of the interatomic pair interactions in metals under study. It is found that our theoretical results are in good agreement with available experimental and computer-simulation data and can be considered as a prediction when such data are absent.
Highlights
An experimental study of diffusion properties in metal melts is a hard task
Modern precise measurements provided a finding that small additions in dilute germanium weakly affect its diffusion coefficients in spite of the very big difference between their atomic mass [20]
We introduced the semi-analytical method [41] of solving the Ornstein–Zernike equation [42] for the SW model within the mean spherical approximation (MSA) [43]
Summary
An experimental study of diffusion properties in metal melts is a hard task. Progress in this field is connected with the arising of new techniques in the last two decades [1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20]. We introduced the semi-analytical method [41] of solving the Ornstein–Zernike equation [42] for the SW model within the mean spherical approximation (MSA) [43]. This method, in conjunction with the linear trajectory approximation (LTA) [44,45], was successfully used to calculate the self-diffusion coefficients of liquid alkali metals and their binary mixtures [46,47,48]. We apply the aforementioned SW-MSA-LTA approach for the quantitative study of self-diffusivities in liquid noble metals and compare obtained results with available experimental and computer-simulation data
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