利用分子静力学计算了γ-Fe中的空位(V)、自间隙原子(SIA)、间隙氦原子(HeI)和氦-空位(He-V)团簇的形成能.Fe-Fe,Fe-He和He-He原子间相互作用分别用修正嵌入原子法(MEAM)、Wilson-Johnson势和Beck势来描述.计算结果表明,SIA<100>形成能远小于α-Fe中的SIA<110>形成能,HeI在γ-Fe中的四面体间隙位最稳定.团簇HenV0,HenV1,HenV2和HenV3中的He原子数n分别达到2,5,9和11时即可形成Frenkel对来实现自捕陷,实现自捕陷时的He/V个数比不是定值,且随空位数的增加有逐渐下降趋势.
参考文献
| [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 Semiannual 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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