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不同PKA能量下锆初级辐照过程的分子动力学模拟

Molecular Dynamics Simulation of Primary Radiation Process of Zirconium at Different PKA Energies

  • 摘要: 国际上对初级辐照损伤机制的认知仍存在误解,其根本原因在于对级联碰撞过程缺陷的标定和认识有误。利用时间平均原子体积谱法实现了锆级联碰撞过程中缺陷的精准标定与演化分析。结果表明:热峰阶段结束时,级联区域呈熔融态,弹道阶段产生的点缺陷几乎完全消失;淬火过程中,熔融区发生超快结晶,初级辐照损伤源于此过程的缺陷捕获行为。此外,高PKA能量会形成更大的熔融区,增加子级联发生概率,从而影响稳定点缺陷数量。

     

    Abstract: There is still a misconception about the general understanding of the primary radiation damage mechanism intenationally,which stems essentially from the incorrect calibration and understanding of defects in the cascade collision process. The accurate calibration and evolution analysis on defects in the cascade collision process of zirconium have been achieved by a timeaveraged atomic volume spectrum(TAVS) method. The results indicated that(a) at the end of the thermal spike stage,the cascade region was in a molten state,and the point defects occurring in the ballistic phase disappeared almost completely;(b) during the quenching,the ultra-fast crystallization occurred in the molten region,and the primary radiation damage originated from the defect trapping behavior in this process. In addition,the higher PKA energy was enabled to lead to the formation of larger molten region,and to an increase in the formation probability of sub-cascades,thus affecting the number of stable point defects.

     

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