Abstract
The structure of an fcc(001)/fcc(001) interphase boundary in a “nickel hemispherical crystal nanoparticle-palladium crystal substrate” system is investigated using molecular dynamics simulation with multiparticle potentials calculated in the framework of the embedded-atom method as a function of the angle of rotation of the nanoparticle. Relaxation transformations are found to occur in a component of the system under investigation with a larger lattice parameter. It is demonstrated that, under given annealing conditions, the system is characterized by a size dependence of the angle of rotation of a nanoparticle: the annealing leaves the location of large islands virtually unchanged but brings about a rotation of small nanoparticles into a parallel orientation or an orientation with a local energy minimum.
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Original Russian Text © A.V. Evteev, V.M. Ievlev, A.T. Kosilov, A.S. Prizhimov, 2007, published in Fizika Tverdogo Tela, 2007, Vol. 49, No. 4, pp. 745–750.
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Evteev, A.V., Ievlev, V.M., Kosilov, A.T. et al. Relaxed atomic structure of the interphase boundary in a “hemispherical nanoparticle-crystal” heterogeneous system. Phys. Solid State 49, 785–790 (2007). https://doi.org/10.1134/S1063783407040312
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DOI: https://doi.org/10.1134/S1063783407040312