A transition between bistable ice when coupling electric field and nanoconfinement

A transition between bistable ice when coupling electric field and nanoconfinement

The effects of an electric field on the phase behavior of water confined inside a nanoscale space were studied using molecular dynamics simulations. It was found that the diffusion coefficient of water reaches its maximum when value of the surfaces' charge is at the threshold, qc = 0.5e. This u...

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Veröffentlicht in:The Journal of chemical physics 2015-04, Vol.142 (13), p.134704-134704
Hauptverfasser: Mei, Feng, Zhou, Xiaoyan, Kou, Jianlong, Wu, Fengmin, Wang, Chunlei, Lu, Hangjun
Format: Artikel
Sprache:eng
Schlagworte:
Charging
Coupling (molecular)
Diffusion
Diffusion coefficient
Electric arc melting
Electric fields
Electromagnetic Phenomena
Hydrogen Bonding
Ice
Microfluidics
Molecular dynamics
Molecular Dynamics Simulation
Phase Transition
Physics
Probability
Surface Properties
Temperature
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Zusammenfassung:The effects of an electric field on the phase behavior of water confined inside a nanoscale space were studied using molecular dynamics simulations. It was found that the diffusion coefficient of water reaches its maximum when value of the surfaces' charge is at the threshold, qc = 0.5e. This unexpected phenomenon was attributed to the intermediate state between two stable ice states induced by nanoconfinement and the electric field generated by charged surfaces, respectively. Our finding is helpful to understand electromelting and electrofreezing of water under nanoconfinement with the electric field.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4916521