作者
Nanjun Chen, Liang-Liang Niu, Ying Zhang, Xiaolin Shu, Hong-Bo Zhou, Shuo Jin, Guang Ran, Guang-Hong Lu, Fei Gao
发表日期
2016/11/22
期刊
Scientific reports
卷号
6
期号
1
页码范围
36955
出版商
Nature Publishing Group UK
简介
The harsh irradiation environment poses serious threat to the structural integrity of leading candidate for plasma-facing materials, tungsten (W), in future nuclear fusion reactors. It is thus essential to understand the radiation-induced segregation of native defects and impurities to defect sinks, such as grain boundaries (GBs), by quantifying the segregation energetics. In this work, molecular statics simulations of a range of equilibrium and metastable [100] symmetric tilt GBs are carried out to explore the energetics of vacancy segregation. We show that the low-angle GBs have larger absorption length scales over their high-angle counterparts. Vacancy sites that are energetically unfavorable for segregation are found in all GBs. The magnitudes of minimum segregation energies for the equilibrium GBs vary from −2.61 eV to −0.76 eV depending on the GB character, while those for the metastable GB states tend to be …
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