Single-Domain Ferroelectric Water and its Concerted Diffusion in Nanotubes

机译：单域铁电水及其在纳米管中的协同扩散

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The term 'ferroelectric water' has so far stood for 'ferroelectric ice.' In molecular dynamics simulations, we find that, counter to intuition, single-domain ferroelectric water is possible inside carbon nanotubes open to a liquid water reservoir. Though this water is tube-shaped, it is strikingly different in structure and dynamics from 'ice nanotubes.' A series of step-wise changes in net polarization of water and mobile/immobile water transitions are observed to occur spontaneously. This study not only improves our general knowledge of water, but is also suggestive of potential multifunctional capabilities of simple hydrophobic nanotubes for future applications.

机译：到目前为止，术语“铁电水”代表“铁电冰”。在分子动力学模拟中，我们发现，与直觉相反，单畴铁电水可能在通向液态水储层的碳纳米管内部。尽管这种水呈管状，但其结构和动力学却与“冰纳米管”截然不同。观察到水的净极化和移动/固定水过渡的一系列逐步变化是自发发生的。这项研究不仅改善了我们对水的一般知识，而且还暗示了简单的疏水性纳米管在未来的应用中潜在的多功能能力。

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来源
《Advanced materials and nanotechnology》|2011年|p.108-111|共4页
会议地点 Wellington(NZ);Wellington(NZ)
作者
Yoshimichi Nakamura; Takahisa Ohno;
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作者单位

Computational Materials Science Center, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba 305-0047, Japan,JST, CREST, 5 Sanbancho, Chiyoda-ku, Tokyo 102-0075, Japan;

Computational Materials Science Center, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba 305-0047, Japan,JST, CREST, 5 Sanbancho, Chiyoda-ku, Tokyo 102-0075, Japan;

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原文格式 PDF
正文语种 eng
中图分类工程材料一般性问题;
关键词
ferroelectric water; carbon nanotube; concerted diffusion; molecular dynamics;

机译：铁电水碳纳米管协同扩散；分子动力学;

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专利

1. Single-Domain Ferroelectric Water and its Concerted Diffusion in Nanotubes [J] . Yoshimichi Nakamura, Takahisa Ohno Materials science forum . 2012,第期

机译：单域铁电水及其在纳米管中的协同扩散
2. Interaction and concerted diffusion of lithium in a (5,5) carbon nanotube [J] . M. Khantha, N. A. Cordero, J. A. Alonso, Physical review . 2008,第11期

机译：锂在（5,5）碳纳米管中的相互作用和协调扩散
3. Size effect in determining the water diffusion rate in carbon nanotubes [J] . Wang Qin, Liu Lang, Liu Chao, Journal of Molecular Liquids . 2021,第1期

机译：确定碳纳米管中水扩散速率的尺寸效应
4. Effects of Temperature and Pore Size on Water Diffusion inside Carbon Nanotubes [C] . Kuiwen Zhao, Zhenyu Liu, Huiying Wu 2015 Proceedings of the ASME 13th international conference on nanochannels, microchannels, and minichannels . 2015

机译：温度和孔径对碳纳米管内部水扩散的影响
5. Reactive Transport of Heavy Metals in Lake Sediments: Impacts of Multi-Component Diffusion, Diffuse Double Layer, Dissolution of Manganese Oxides, and Water Transport in Nanotubes [D] . Li, Jianing. 2017

机译：沉积物中重金属的反应性传输：多组分扩散，扩散双层，锰氧化物的溶解以及纳米管中水传输的影响
6. The peculiar size and temperature dependence of water diffusion in carbon nanotubes studied with 2D NMR diffusion–relaxation D –T2eff spectroscopy [O] . L. Gkoura, G. Diamantopoulos, M. Fardis, 2020

机译：用2D NMR扩散松弛D -T2EFF光谱研究的碳纳米管中水扩散的特殊尺寸和温度依赖性
7. Interaction and Concerted Diffusion of Lithium in a (5,5) Carbon Nanotube [O] . Khantha, Mahadevan, Cordero, Nicolas A., Alonso, J. A., 2008

机译：（5,5）碳纳米管中锂的相互作用和协同扩散
8. Variational transition state theory calculations of tunneling effects on concerted hydrogen motion in water clusters and formaldehyde/water clusters [R] . Garrett, B. C., Melius, C. F. 1990

机译：变分过渡态理论计算隧道效应对水团簇和甲醛/水团簇中协同氢运动的影响

Single-Domain Ferroelectric Water and its Concerted Diffusion in Nanotubes

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