Radiation damage in nano-crystalline tungsten: A molecular dynamics simulation
Radiation damage in nano-crystalline tungsten: A molecular dynamics simulation
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DOI：
10.1007/s12540-009-0447-3
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发表时间：
2009-07
影响因子：
3.5
通讯作者：
N. Park;P. Cha;Yu-Chan Kim;H. Seok;Seunghee Han;Seung-Cheol Lee;Seungyon Cho;Hye-Yun Jung
中科院分区：
文献类型：
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作者：
N. Park;P. Cha;Yu-Chan Kim;H. Seok;Seunghee Han;Seung-Cheol Lee;Seungyon Cho;Hye-Yun Jung
本研究对单晶和纳米(多)晶钨的辐射损伤进行了分子动力学模拟。采用一种新的构造方法结合相场模型构造了纳米(多)晶微结构。在最大损伤态，单晶中自间隙原子(SiAs)和空位的复合速率比多晶结构中的快。在稳定状态下，由于晶界与SiAs之间的相互吸引作用，纳米晶体中SiAs的数量增加了一倍。
This study presents MD simulations for the radiation damage of single- and nano-(poly)crystalline tungsten. The nano-(poly)crystalline microstructure was constructed using a new construction method combined with the phase field model. At the maximum damage state, the recombination rate of self-interstitial atoms (SIAs) and vacancies is faster in the single-crystal that in the poly-crystal structure. In the steady state, the number of SIAs is twice as large in the nano-crystal, as caused by the attractive interaction between the grain boundary and the SIAs.