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• W2014887877 abstract "The diffusion properties of iron and nickel in iron are investigated by the molecular dynamics method with a modified analytic embedded-atom method. In the monovacancy diffusion, the energy curve of self-diffusion and diffusion of nickel in iron is symmetric. However, the energy curve of self-diffusion and diffusion of nickel in iron is not symmetric in the divacancy diffusion mechanism. The self-diffusion mechanism is the monovacancy diffusion of nearest neighbor (NN) jump at low temperature. The activation energy, vacancy formation energy and migration energy of self-diffusion are 2.425, 1.657 and 0.768 eV, respectively. In high temperature, the divacancy diffusion must be considered. The solute nickel diffusion mechanism is that the nickel migrates to the NN vacancy. The activation energy and migration energy of diffusion of nickel in iron are 2.260 and 0.582 eV, respectively. The calculated results are in good agreement with the experimental values and other calculated results." @default.
• W2014887877 created "2016-06-24" @default.
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• W2014887877 date "2004-02-01" @default.
• W2014887877 modified "2023-10-01" @default.
• W2014887877 title "Self-diffusion of Fe and diffusion of Ni in Fe calculated with MAEAM theory" @default.
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• W2014887877 doi "https://doi.org/10.1016/j.physb.2003.10.021" @default.
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