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P. Warczok, Y. Shan, E. Kozeschnik:
"Monte-Carlo study of coherent bcc-Cu precipitation in alpha-iron";
Talk: Asia Steel 2009, Busan; 2009-05-24 - 2009-05-27; in: "Proc. Asia Steel 2009", (2009), S13-29.

Coherent copper precipitation in supersaturated α-iron is simulated using the Monte Carlo method with the vacancy exchange mechanism. The influence of the various simulation parameters (temperature, copper content, nucleus size, bond energies) on the precipitate is investigated and compared with the continuum models. The copper solubility is reproduced with the bond energy values close to the parameters found in CALPHAD models. It is shown that an additional interfacial energy appears in the simulation depending on the radius size of the precipitate and attributable to the Gibbs-Thomson effect. Attention is also paid to the chemical composition and the thickness of the α-iron/bcc-Cu diffuse interface. A qualitative agreement with the predictions of the macroscopic description is found.