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题名:
Asymmetric self-diffusion with orientation-dependence of water molecule in finite timescale
作者: Wei, X; Sheng, N; Wan, RZ; Hu, GH; Fang, HP
刊名: SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
出版日期: 2016
卷号: 59, 期号:7, 页码:
关键词: BROWNIAN-MOTION ; CARBON NANOTUBES ; THERMAL NOISE ; DYNAMICS ; TIME ; NANOSCALE ; CHANNEL ; SCALE ; MODEL
DOI: 10.1007/s11433-015-0479-x
通讯作者: Hu, GH (reprint author), Shanghai Univ, Shanghai Inst Appl Math & Mech, Shanghai 200072, Peoples R China. ; Fang, HP (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China. ; Fang, HP (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China.
文章类型: 期刊文献
英文摘要: Self-diffusion of water has been investigated by molecular dynamics simulations. It was found that the preference of the direction in self-diffusion of water is orientation dependent in a finite time. For a time of similar to 100 ps, there are more possibilities for water molecules moving along the initial dipole orientation than in the opposite direction. This reveals that self-diffusion of water molecules is asymmetric in a finite time. We tested four water models and found that they all show similar asymmetric diffusion, indicating that asymmetric diffusion of water is intrinsic behavior rather than induced by the water model. These results are important for understanding and application of asymmetric diffusion in research fields such as biological water and confined water in small dimensions.
收录类别: SCI
语种: 英语
WOS记录号: WOS:000375574700002
ISSN号: 1674-7348
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.sinap.ac.cn/handle/331007/25651
Appears in Collections:中科院上海应用物理研究所2011-2017年_期刊论文

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Recommended Citation:
Wei, X,Sheng, N,Wan, RZ,et al. Asymmetric self-diffusion with orientation-dependence of water molecule in finite timescale[J]. SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY,2016-01-01,59(7):—.
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