Study of Electric Field-Induced Evaporation Like Process and Nucleation in Nanoscale

2019 ◽  
Vol 141 (6) ◽  
Author(s):  
M. B. Darshan ◽  
Pratyush Agarwal ◽  
Dhiraj Indana ◽  
Saikat Datta ◽  
Ravi Kumar ◽  
...  
Keyword(s):  
Electric Field ◽  
Water Surface ◽  
Temporal Evolution ◽  
Temperature Fluctuations ◽  
High Heat ◽  
Density Variation ◽  
Nonuniform Electric Field ◽  
Uniform Electric Field ◽  
Water Molecules ◽  
Dynamics Simulations

A proposal is made to demonstrate features of thermodynamic evaporation at the nanoscale using only an external electric field. The consequences of exposure to both uniform and nonuniform electric field on the water nanofilms are analyzed through molecular dynamics simulations. The temporal evolution of temperature and molecular nucleation under uniform electric field resembles evaporation at high heat. The temperature fluctuations of the system are analyzed from the density variation of the system, which has received no heat input from outside. Evaporation like process and nucleation from the water surface is described as a systematic polarization of the water molecules in the presence of electric field. The nucleation of the vapor bubble with a nonuniform electric field also shows similarity with heat-induced pool boiling. The reason behind isolated nucleation is analyzed from the temperature map of the system at different time instants. Possible surface instabilities due to the exposure of electric field on water nanolayer are also elaborated for both uniform and nonuniform cases.

scholarly journals Origin of the enhanced structural and reorientational relaxation rates in the presence of relatively weak dc electric fields

2004 ◽  
Vol 76 (1) ◽  
pp. 215-221 ◽  
Author(s):  
A. Vegiri
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Electric Fields ◽  
Structural Relaxation ◽  
Structural Changes ◽  
Common Mechanism ◽  
Weak Electric Field ◽  
Water Molecules ◽  
Relaxation Rates ◽  
Dynamics Simulations

The origin of the dramatic increase of the reorientational and structural relaxation rates of single water molecules in clusters of size N = 16, 32, and 64 at T = 200 K, under the influence of an external, relatively weak electric field (~0.5 107 V/cm) is examined through molecular dynamics simulations. The observed effect is attributed not to any profound structural changes, but to the increase of the size of the molecular cage. The response of water to an electric field in this range shows many similarities with the dynamics of water under low pressure. By referring to simulations and experiments from the literature, we show that in both cases the observed effects are dictated by a common mechanism.

Fast phase transition of water molecules in a defective carbon nanotube under an electric field

2016 ◽  
Vol 30 (06) ◽  
pp. 1650019 ◽  
Author(s):  
Xianwen Meng ◽  
Jiping Huang
Keyword(s):  
Phase Transition ◽  
Carbon Nanotube ◽  
Electric Field ◽  
Water Molecules ◽  
Single Walled Carbon Nanotube ◽  
Water Permeation ◽  
Single Walled Carbon ◽  
Fast Phase ◽  
Dynamics Simulations ◽  
Insight Into

We utilize molecular dynamics simulations to study the effect of an electric field on the permeation of water molecules through a defective single-walled carbon nanotube (DSWCNT). Compared with a perfect single-walled carbon nanotube (PSWCNT), the behaviors of water molecules respond more quickly under the same electric field in a DSWCNT. Wet–dry phase transition of water molecules occurs when the electric field reaches 0.32 V/nm, which is much lower than the case of the PSWCNT. Besides, the critical electric field is affected by the number of defects. These results pave a way for designing fast wet–dry transition devices and provide a new insight into water permeation through a defective nanochannel.

scholarly journals Length-scales of dynamic heterogeneity in a driven binary colloid

2020 ◽  
Vol 22 (31) ◽  
pp. 17731-17737
Author(s):  
Suman Dutta ◽  
J. Chakrabarti
Keyword(s):  
Electric Field ◽  
Brownian Dynamics ◽  
Characteristic Length ◽  
Aqueous Suspension ◽  
Uniform Electric Field ◽  
Dynamic Heterogeneity ◽  
Length Scales ◽  
Dynamics Simulations ◽  
Brownian Dynamics Simulations ◽  
Oppositely Charged

Here we study the characteristic length scales in an aqueous suspension of a symmetric oppositely charged colloid subjected to a uniform electric field by Brownian dynamics simulations.

Structures of Water Molecules in Carbon Nanotubes Induced with Electric Fields and its Application for Water-Methanol Separation

2016 ◽  
Vol 842 ◽  
pp. 453-456 ◽  
Author(s):  
Winarto ◽  
Daisuke Takaiwa ◽  
Eiji Yamamoto ◽  
Kenji Yasuoka
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Electric Field ◽  
Electric Fields ◽  
Electrostatic Interaction ◽  
Water Molecules ◽  
Ordered Structures ◽  
Separation Effect ◽  
Wide Range ◽  
Dynamics Simulations

Water confined in carbon nanotubes (CNTs) under the influence of an electric field has interesting properties that are potential for nanofluidic-based applications. With molecular dynamics simulations, this work shows that the electric field induces formation of ordered structures of water molecules in the CNTs. Formation of the ordered structures strengthens the electrostatic interaction between the water molecules. As a result, water strongly prefers to fill CNTs over methanol and it produces a separation effect. Interestingly, the separation effect with the electric field does not decrease for a wide range of CNT diameter.

Conformational transitions and helical structures of a dipolar chain in external electric fields

Soft Matter ◽  
2021 ◽  
Author(s):  
Yulia D. Gordievskaya ◽  
Elena Yu. Kramarenko
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Molecular Dynamics Simulations ◽  
Electric Fields ◽  
Conformational Transitions ◽  
Uniform Electric Field ◽  
Conformational Behavior ◽  
Helical Structures ◽  
External Electric Fields ◽  
Dynamics Simulations

The conformational behavior of a single dipolar chain in a uniform electric field is investigated by molecular dynamics simulations.

Photodetachment of H– ion in a nonuniform electric field

2013 ◽  
Vol 91 (8) ◽  
pp. 650-657
Author(s):  
Yi-hao Wang ◽  
De-hua Wang ◽  
Jian-wei Li
Keyword(s):  
Electric Field ◽  
Cross Section ◽  
Closed Orbit ◽  
Analytical Formula ◽  
Negative Ions ◽  
Nonuniform Electric Field ◽  
Uniform Electric Field ◽  
Closed Orbits ◽  
Photodetachment Cross Section ◽  
The Cross

The photodetachment of H– ions in a nonuniform electric field has been investigated on the basis of closed orbit theory. Firstly, we give a clear physical description of the detached electron's movement in a nonuniform electric field. Then we put forward an analytical formula for calculating the photodetachment cross section of this system. Our study suggests besides the closed orbit previously reported for the photodetachment of H– in a uniform electric field, some additional closed orbits are produced owing to the effect of the nonuniform electric field. Compared with the photodetachment cross section of H– in a uniform electric field, the oscillation in the cross section of our system becomes much more complicated and the cross section exhibits a multiperiodic oscillatory structure. To show the relation between the oscillation in the photodetachment cross section and the detached electron's classical closed orbits clearly, we make a Fourier transformation for the scaled photodetachment cross section of this system. Each peak in the Fourier transformed cross section corresponds to the contribution of one closed orbit. This study provides a new understanding of the photodetachment of negative ions in the presence of a nonuniform electric field.

Molecular dynamics simulations of electric field induced water flow inside a carbon nanotorus: a molecular cyclotron

2017 ◽  
Vol 19 (19) ◽  
pp. 12384-12393 ◽  
Author(s):  
Hassan Sabzyan ◽  
Maryam Kowsar
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Molecular Dynamics Simulations ◽  
Water Flow ◽  
Electric Fields ◽  
Water Molecules ◽  
Dynamics Simulations

A nano-flow is induced by applying gigahertz rotating electric fields (EFs) of different strengths and frequencies on a carbon nanotorus filled with water molecules, using molecular dynamics simulations.

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