Abstract
Grain-boundary stresses in copper for 60 symmetrical tilt grain boundaries with different orientations of the grain-boundary plane and tilt axis have been calculated by the molecular-statics method with the use of embedded-atom-method potentials of interatomic interaction. It has been established that the grain-boundary stresses are negative for grain boundaries with small excess volumes and increase approximately linearly with a buildup of the excess volume. It has been shown that the increase in grain-boundary stresses is connected with a decrease in the average coordination number of atoms, whereas pairs of closely spaced atoms in the grain-boundary core cause a negative contribution to grain-boundary stresses.
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Original Russian Text © A.G. Lipnitskii, A.V. Ivanov, Yu.R. Kolobov, 2006, published in Fizika Metallov i Metallovedenie, 2006, Vol. 101, No. 3, pp. 330–336.
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Lipnitskii, A.G., Ivanov, A.V. & Kolobov, Y.R. Studying grain-boundary stresses in copper by the molecular-statics method. Phys. Metals Metallogr. 101, 303–308 (2006). https://doi.org/10.1134/S0031918X0603015X
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DOI: https://doi.org/10.1134/S0031918X0603015X