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Analysis of Ni75-3x/4Al25-x/4Crx Grain Boundary Structures with a Double Species Model |
| ZHENG Li-Ping1,2;MA Yu-Gang1;XU Zi-Jian1;ZHU Zhi-Yuan1;LI Dou-Xing3 |
| 1Shanghai Institute of Applied Physics, Chinese Academy of Sciences, PO Box 800-204, Shanghai 201800
2International Centre for Material Physics, Chinese Academy of Sciences, Shenyang 110016
3Shenyang National Laboratory for Materials Sciences, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 |
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| Cite this article: |
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ZHENG Li-Ping, MA Yu-Gang, XU Zi-Jian et al 2005 Chin. Phys. Lett. 22 1484-1487 |
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Abstract Based on the Monte Carlo simulation conjoined with the embedded atom method (EAM) potentials, a double species model is employed to study the Ni75-3x/4Al25-x/4Crx structure, i.e. impure Ni3Al together with a grain boundary structure at the equilibrium. At the grain boundary, the model shows that Ll2-Ni3Al transforms into fcc-Ni when x increases from 0 to 0.40; then fcc-Ni transforms into Ll2-Ni3Cr when x increases from 0.40 to 2.40.
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| Keywords:
61.72.Mm
64.75.+g
61.50.Lt
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Published: 01 June 2005
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