Abstract
Computer simulation methods in the approximation of pairwise interatomic Morse potentials are used to calculate the atomic configurations and the energy of formation of 1/2 <110> {111} antiphase boundaries in ordered Cu3Au and Ni3Fe alloys. Atomic displacements result in considerable smearing of the first five planes closest to an antiphase boundary and a slip of atomic planes. These effects substantially reduce the energy of formation of antiphase boundaries. The influence of the size factor on the atomic configuration on the antiphase boundaries is discussed.
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Translated from Izvestiya Vysshykh Uchebnykh Zavedenii, Fizika, No. 2, pp. 43–47, February, 1985.
In conclusion, the authors express their thanks to A. I. Tsaregorodtsev for useful discussion of this work.
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Gorlov, N.V., Dem'yanov, B.F. & Starostenkov, M.D. Atomic configuration of antiphase boundaries in alloys. Soviet Physics Journal 28, 125–129 (1985). https://doi.org/10.1007/BF00912506
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DOI: https://doi.org/10.1007/BF00912506