کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5350848 | 1503663 | 2014 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The states of nitrogen atoms in the processing of Ni-Cr alloy surface nitriding modification
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
The energies of supercells of Ni-Cr alloy containing an isolated N atom or a pair of N atoms in the octahedrons with 0-3 Cr atoms were obtained by the first principle calculations. In supercells with an isolated N atom and a pair of N atoms, the energy of supercells decreases with increasing of the number of Cr atoms nearest neighboring to a N atom while the increment is about 0.4Â eV per Cr atoms and almost independent on the distribution of the Cr atoms. According to the energy data, the interaction between neighboring N atoms was deduced to be in a narrow range of 2.37-2.56Â eV. In local equilibrium approximation, it was found that the energy of N dependent on the N concentration linearly, and the calculated non-retractable nitrogen was about 18Â at.% in sublattice which was in agreement with experimental result.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 301, 15 May 2014, Pages 346-350
Journal: Applied Surface Science - Volume 301, 15 May 2014, Pages 346-350
نویسندگان
Z.P. Zhang, M.K. Lei,