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| FORMATION ENERGIES OF POINT DEFFECTS AND HELIUM－VACANCY CLUSTERS IN γ－Fe |
| Yong Yu;; |
| 中国工程物理研究院总体工程研究所 |
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Cite this article:
Yong Yu. FORMATION ENERGIES OF POINT DEFFECTS AND HELIUM－VACANCY CLUSTERS IN γ－Fe. Acta Metall Sin, 2007, 42(1): 1-5 .
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Abstract Because of the important application of the austenitic stainless steel in the nuclear industry, formation enrgies of a single vacancy(V), a self-interstitial atom(SIA), an interstitial helium atom(HeI) and helium-vacancy(He-V) clusters in γ-Fe, which has the same faced-centered cubic (fcc) structure as the austenitic stainless steel, are calculated by molecule statics. The modified embedded atom method potential, Wilson-Johnson potential and Beck potential are employed to describe the interactions of Fe-Fe, Fe-He and He-He respectively. The calculation results show that the formation energy of slit <100> SIA in γ-Fe is lower than that of slit <110> in α-Fe, and the tetrahedral interstitial position in γ-Fe is the most stable site for HeI. When the number of helium atoms in cluster of HenV0, HenV1, HenV2, HenV3 is 2, 5, 9, 11 respectively, the clusters will self-trap by forming Frenkel pair. The He/V of self-trapped cluster is not a constant, it will gradually decrease with the number of vacancies increasing.
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Received: 24 February 2006
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[1] Morishita K, Sugano R,Wirth B D．J Nucl Mater,2003; 323:243
[2] Morishita K,Sugano R,Wirth B D,de la Rubia T D．Nucl Instrum Methods Phys Res,2003;202B:76
[3] Morishita K,Sugano R,Wirth B D．Fusion Sci Technol, 2003;44:441
[4]Ackland G J,Bacon D J,Calder A F,Harry T．Philos Mag, 1997;75A:713
[5] Johnson R A,Wilson W D．In:Gehlen P C,Beeler J R Jr,Jaflee R I,eds．,Interatomic Potentials and Simulation of Lattice Defects,New York:Plenum,1972:375
[6] Beck D E．Mol Phys,1968;14:311
[7] Baskes M I．Phys Rev,1992;46B:2727
[8] Baskes M I．Mater Sci Eng,1999;A261:165
[9] Baskes M I．Mater Chem Phys,1997;55:152
[10] Ventelon L,Wirth B D．Fusion Materials Semian- nual Progress Report for the Period Ending,DOE-ER- 0313／37, US Department of Energy,2005:140
[11]Seletskaia T,Osetsky Y,Stoller R E,Stocks G M．Phys Rev Lett,2005;94:046403
[12] Wilson W D,Baskes M I,Bisson C L．Phys Rev,1976; 13B:2470
[13] Adams J B,Wolfer W G．J Nucl Mater,1989;166:235
[14] Wilson W D,Bisson C L,Baskes M I．Phys Rev,1981; 24B:5616 |
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