Water in an External Electric Field: Comparing Charge Distribution Methods Using ReaxFF Simulations

Author(s):  
Jason P. Koski ◽  
Stan G. Moore ◽  
Raymond C. Clay ◽  
Kurt A. O’Hearn ◽  
H. Metin Aktulga ◽  
...  
Author(s):  
Reza Monazami ◽  
Shahrzad Yazdi ◽  
Mahmoud A. Salehi

In this paper, a three-dimensional numerical model is developed to analyze the influence of the Joule heating on flow characteristics of an electroosmotic flow through square cross section micro-channels. The governing system of equations consists of three sets of equations: electric potential distribution, flow-field and energy equations. The solution procedure involves three steps. The net charge distribution on the cross section of the micro-channel is computed by solving two-dimensional Poisson-Boltzmann equation using the finite element method. Then, using the computed fluid’s charge distribution, the magnitude of the resulting body force due to interaction of an external electric field with the charged fluid elements is calculated along the micro-channel. Finally, three dimensional coupled Navier-Stokes and energy equations are solved by considering the presence of the electro-kinetic body forces and the volumetric heat generation due to Joule heating for three different external electric field strengths. The results reveal that flow patterns are significantly affected by temperature field distribution caused by Joule heating effect especially for high electric field strength cases.


Author(s):  
Shahrzad Yazdi ◽  
Reza Monazami ◽  
Mahmoud A. Salehi

In this paper, a three-dimensional numerical model is developed to analyze flow characteristics of pressure driven, electroosmotic and combined pressure driven-electroosmotic flows through micro-channels. The governing system of equations consists of the electric-field and flow-field equations. The solution procedure involves three steps. The net charge distribution on the cross section of the micro-channel is computed by solving two-dimensional Poisson-Boltzmann equation using the finite element method. Then, using the computed fluid’s charge distribution, the magnitude of the resulting body force due to interaction of an external electric field with the charged fluid is calculated along the micro-channel. Finally, three dimensional Navier-Stokes equations are solved by considering the presence of the electro-kinetic body forces in the flow system for electroosmotic and combined pressure driven electroosmotic flow cases. The results reveal that the flow patterns for combined PD-EO cases are significantly different from the parabolic velocity profile of the laminar pressure-driven flow. The effect of the liquid bulk ionic concentration and the external electric field strength on flow patterns through the square-shaped micro-channels is also investigated over a wide range of external electric field strengths and bulk ionic concentration.


2018 ◽  
Vol 20 (44) ◽  
pp. 28124-28134 ◽  
Author(s):  
A. Mogulkoc ◽  
Y. Mogulkoc ◽  
M. Modarresi ◽  
B. Alkan

An external electric field modifies the electronic structure, charge distribution and energy band gap in the heterobilayer of gallium nitride/boron phosphide.


Author(s):  
M.В. Кнатько ◽  
М.Н. Лапушкин

AbstractWe have studied transient processes of the thermal ionization of sodium on the surface of NaAu_ y semiconductor film under the action of a variable external electric field. It is established that the kinetics of Na^+ ion current during variation of the external field is determined by the establishment of charge distribution in the NaAu_ y film, while the efficiency of thermal ionization of Na atoms is related to the concentration of holes near the NaAu_ y /vacuum interface.


2006 ◽  
Vol 37 (10) ◽  
pp. 1370-1377 ◽  
Author(s):  
Zhang Xiangrong ◽  
Wang Lianze ◽  
Wu Cheng ◽  
Huang Fenglei

2018 ◽  
Vol 189 (02) ◽  
pp. 187-194 ◽  
Author(s):  
Nikita V. Marchenkov ◽  
Anton G. Kulikov ◽  
Ivan I. Atknin ◽  
Arsen A. Petrenko ◽  
Alexander E. Blagov ◽  
...  

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