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Annihilating vacancies via dynamic reflection and emission of interstitials in nano-crystal tungsten
Li, Xiangyan1; Duan, Guohua1,2,3; Xu, Yichun1; Zhang, Yange1; Liu, Wei1; Liu, C. S.1; Liang, Yunfeng4; Chen, Jun-Ling5; Luo, G-N.5
2017-11-01
发表期刊NUCLEAR FUSION
卷号57期号:11
摘要Radiation damage not only seriously degrades the mechanical properties of tungsten (W) but also enhances hydrogen retention in the material. Introducing a large amount of defect sinks, e.g. grain boundaries (GBs) is an effective method for improving radiation-resistance of W. However, the mechanism by which the vacancies are dynamically annihilated at long timescale in nano-crystal W is still not clear. The dynamic picture for eliminating vacancies with single interstitials and small interstitial-clusters has been investigated by combining molecular dynamics, molecular statics and object Kinetic Monte Carlo methods. On one hand, the annihilation of bulk vacancies was enhanced due to the reflection of an interstitial-cluster of parallel < 111 > crowdions by the GB. The interstitial-cluster was observed to be reflected back into the grain interior when approaching a locally dense GB region. Near this region, the energy landscape for the interstitial was featured by a shoulder, different to the decreasing energy landscape of the interstitial near a locally loose region as indicative of the sink role of the GB. The bulk vacancy on the reflection path was annihilated. On the other hand, the dynamic interstitial emission efficiently anneals bulk vacancies. The single interstitial trapped at the GB firstly moved along the GB quickly and clustered to be the di-interstitial therein, reducing its mobility to a value comparable to that that for bulk vacancy diffusion. Then, the bulk vacancy was recombined via the coupled motion of the di-interstitial along the GB, the diffusion of the vacancy towards the GB and the accompanying interstitial emission. These results suggest that GBs play an efficient role in improving radiation-olerance of nano-crystal W via reflecting highly-mobile interstitials and interstitial-clusters into the bulk and annihilating bulk vacancies, and via complex coupling of in-boundary interstitial diffusion, clustering of the interstitial and vacancy diffusion in the bulk.
文章类型Article
关键词Nuclear Fusion Nano-crystalline Tungsten Radiation Damage Self-healing Grain Boundary
WOS标题词Science & Technology ; Physical Sciences
资助者National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Natural Science Foundation of China(11505215 ; National Natural Science Foundation of China(11505215 ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Atomic Energy Agency (IAEA) ; Atomic Energy Agency (IAEA) ; 11475214 ; 11475214 ; 51671185 ; 51671185 ; 11505214 ; 11505214 ; 11575229 ; 11575229 ; 51571187) ; 51571187) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Natural Science Foundation of China(11505215 ; National Natural Science Foundation of China(11505215 ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Atomic Energy Agency (IAEA) ; Atomic Energy Agency (IAEA) ; 11475214 ; 11475214 ; 51671185 ; 51671185 ; 11505214 ; 11505214 ; 11575229 ; 11575229 ; 51571187) ; 51571187)
DOI10.1088/1741-4326/aa80a8
关键词[WOS]GRAIN-BOUNDARIES ; RADIATION-DAMAGE ; ION IRRADIATIONS ; BCC TUNGSTEN ; FE ; DEFECTS ; ENVIRONMENTS ; SEGREGATION ; RESISTANCE ; BEHAVIORS
收录类别SCI
语种英语
资助者National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Natural Science Foundation of China(11505215 ; National Natural Science Foundation of China(11505215 ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Atomic Energy Agency (IAEA) ; Atomic Energy Agency (IAEA) ; 11475214 ; 11475214 ; 51671185 ; 51671185 ; 11505214 ; 11505214 ; 11575229 ; 11575229 ; 51571187) ; 51571187) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Natural Science Foundation of China(11505215 ; National Natural Science Foundation of China(11505215 ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Atomic Energy Agency (IAEA) ; Atomic Energy Agency (IAEA) ; 11475214 ; 11475214 ; 51671185 ; 51671185 ; 11505214 ; 11505214 ; 11575229 ; 11575229 ; 51571187) ; 51571187)
WOS研究方向Physics
WOS类目Physics, Fluids & Plasmas
WOS记录号WOS:000408751300001
引用统计
被引频次:3[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.hfcas.ac.cn:8080/handle/334002/33623
专题中科院固体物理研究所
作者单位1.Chinese Acad Sci, Key Lab Mat Phys, Inst Solid State Phys, POB 1129, Hefei 230031, Peoples R China
2.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China
3.Univ Sci & Technol China, Dept Phys, Hefei 230026, Peoples R China
4.Univ Tokyo, Res Artifacts, Ctr Engn RACE, Chiba 2778568, Japan
5.Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China
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GB/T 7714
Li, Xiangyan,Duan, Guohua,Xu, Yichun,et al. Annihilating vacancies via dynamic reflection and emission of interstitials in nano-crystal tungsten[J]. NUCLEAR FUSION,2017,57(11).
APA Li, Xiangyan.,Duan, Guohua.,Xu, Yichun.,Zhang, Yange.,Liu, Wei.,...&Luo, G-N..(2017).Annihilating vacancies via dynamic reflection and emission of interstitials in nano-crystal tungsten.NUCLEAR FUSION,57(11).
MLA Li, Xiangyan,et al."Annihilating vacancies via dynamic reflection and emission of interstitials in nano-crystal tungsten".NUCLEAR FUSION 57.11(2017).
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