Comprehensive Evaluation of Aluminum Diffusivity in Liquid Zinc

Abstract

Diffusion coefficients of Al in molten Zn in the temperature range relevant to the industrial applications of the Zn-Al alloy were experimentally measured using the long capillary technique. The diffusion coefficients were also predicted using four methods, including a predictive equation derived recently by the present authors, the Enskog expression, the ''hole'' theory, and the fluid theory. In addition, molecular dynamics simulation was carried out to calculate the Al diffusivity. The experimentally measured Al diffusivity agrees well with the predicted values of the new derived equation and the outcomes of the molecular dynamics computation. An evaluation of the predictions of the four diffusion models favors the density fluctuation model.

Development of an atomic mobility database for liquid phase in multicomponent Al alloys: focusing on binary systems

“…[47]. Figure 12 presents the calculated inter-diffusion coefficientsi nZ n-2 at.%A lm elts at 723,7 53, 773 and 793 K, compared with the experimental data from Yange ta l. [41]. Considering the fact that each measured inter-diffusion coefficient is the average valueo fo ne diffusion cou- ple, the calculated values can reproduce the measured ones within the experimental error range.…”

“…Considering the fact that each measured inter-diffusion coefficient is the average valueo fo ne diffusion cou- ple, the calculated values can reproduce the measured ones within the experimental error range. The presently model-predicted concentration profiles of Zn/Zn-2 at.% Al diffusion couples annealed for 1800 sa t 723 Kand 753 Kare compared with the corresponding experimental data [41], as showninFig. 13a and b.…”

“…Yang et al [41] calculated the impurity diffusion coefficients of Al in liquid Zn by using several theoretical methods, including the Sutherland-Einstein equation, the Enskog expression, the \ hole" theory, the fluid theory and the MD method. Those impurity diffusivities in liquid Zn from Refs.…”

“…Yang et al [41] experimentally investigated the diffusion coefficient of Al in molten Zn using the long capillary technique. However, their measured diffusion coefficients are treated as impurity ones.…”

“…Calculated impurity diffusion coefficients of Al in liquid Zn, compared with the theoretical predictions[41]. Dashed lines refer to the diffusion coefficients with afactor of 2or0.5 from the model-predicted diffusion coefficients in this work.Fig.…”