From diffusion experiments to mean-field theory simulations and back

15 May 2019  ·  Martínez Marisel Di Pietro, Hoyuelos Miguel ·

Using previous experimental data of diffusion in metallic alloys, we obtain real values for an interpolation parameter introduced in a mean-field theory for diffusion with interaction. Values of order 1 were found as expected, finding relevance for this quantity as a way to better understand the underlying dynamics of diffusion processes... Furthermore, using this theory, we are able to estimate the values of the mean-field potential from experimental data. As a final test, we reobtain, with all this information as an input to our simulations, the diffusion coefficient in the studied metallic alloys. Therefore, the method provides appropriate transition probabilities to perform Monte Carlo simulations that correctly describe the out of equilibrium behavior. read more

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Chemical Physics Statistical Mechanics