采用分子动力学模拟了压力容器模型材料Fe-0.05Cu和Fe-0.3Cu合金的级联碰撞过程, 研究了辐照导致的缺陷构型及其特征能量、Cu的空位迁移机理、Cu含量对初始损伤的影响、辐照温度对间隙原子团簇和空位团簇的影响等. 结果表明, Cu对级联碰撞产生的缺陷数量、湮灭和复合没有明显影响, 但可降低空位迁移能. 辐照温度对团簇有明显影响.
The reactor pressure vessel (RPV) is the highest priority key component in nuclear power plants and is considered irreplaceable. The embrittlement of RPV steels is in general thought to be caused primarily by the formation of Cu-enriched clusters, the formation of matrix damage features, and the segregation of P atoms at grain boundaries. The displacement cascades in Fe-0.05Cu and Fe-0.3Cu alloys were studied by molecular dynamics in the current work. It was found that substitutional Cu does not significantly affect the amount, annihilation and recombination of defect produced by displacement cascade but affects the vacancy migration energy significantly. The self-interstitial atoms (SIAs) clusters and vacancies clusters are formed during the displacement cascades and affected by irradiation temperature.
[1] Soneda N. In: Ghetta V ed., Materials Issues for Generation IV Systems. Corsica: Springer Science, 2008: 245
[2] Odette G R, Wirth B D, Bacon D J, Ghoniem N M. MRS Bull, 2001; 26: 176
[3] Becquart C S. Nucl Instrum Methods, 2005; 228B: 111
[4] Bacon D J, Gao F, Osetsky Y N. J Comput Aided Mater Des, 1999; 6: 225
[5] Calder A F, Bacon D J. MRS Proc, 1997; 439: 521.
[6] Becquart C S, Domain C, Van Duysen J C. J Nucl Mater, 2001; 294: 274
[7] Golubov S I, Osetsky Y N, Serra A, Barashev A V. J Nucl Mater, 1995; 226: 252
[8] He X F, Yang W, Fan S. Acta Phys Sin, 2009; 58: 8657
(贺新福, 杨文, 樊胜. 物理学报, 2009; 58: 8657)
[9] Ackland G J, Bacon D J, Calder A F, Harry T. Philos Mag, 1997; 73A: 249
[10] Ludwig M, Farkas D, Pedraza D, Schmauder S. Modelling Simul Mater Sci Eng, 1998; 6: 19
[11] Pasianot R C, Malerba L. J Nucl Mater, 2007; 360: 118
[12] Becquart C S, Domain C, Legris A. J Nucl Mater, 2000; 280: 73
[13] Ashcroft N W. Solid State Physics. Philadelphia: Saunders, 1976: 4
[14] Bjorkas C, Nordlund K, Malerba L, Terentyev D, Olsson P. J Nucl Mater, 2008; 372: 312
[15] Ackland G J, Mendelev M I, Srolovitz D J, Han S, Barashev A V. J Phys: Condens Matter, 2004; 16: 1
[16] Becquart C S, Domain C. Nucl Instrum Methods, 2003; 202B: 44
