Cubic phases of block copolymers under shear and electric fields by cell dynamics simulation. I. Spherical phase

2006 ◽  
Vol 125 (15) ◽  
pp. 154905 ◽  
Author(s):  
Marco Pinna ◽  
Andrei V. Zvelindovsky ◽  
S. Todd ◽  
G. Goldbeck-Wood
Keyword(s):  
Block Copolymers ◽  
Electric Fields ◽  
Dynamics Simulation ◽  
Cell Dynamics ◽  
Cubic Phases

Parallel Algorithm for Cell Dynamics Simulation of Block Copolymers

2007 ◽  
Vol 16 (9) ◽  
pp. 779-784 ◽  
Author(s):  
Xiaohu Guo ◽  
Marco Pinna ◽  
Andrei V. Zvelindovsky
Keyword(s):  
Block Copolymers ◽  
Parallel Algorithm ◽  
Dynamics Simulation ◽  
Cell Dynamics

scholarly journals Pushing and Pulling on OH-and H3O+ with Electric Fields Across Water’s Surface

2021 ◽  
Author(s):  
kamal ray ◽  
Aditya Limaye ◽  
Ankur Saha ◽  
Ka Chon Ng ◽  
Adam Willard ◽  
...  
Keyword(s):  
Electric Fields ◽  
Second Harmonic ◽  
Ionic Species ◽  
Dynamics Simulation ◽  
Dipole Orientation ◽  
Harmonic Intensity ◽  
Air Interface ◽  
Excess Surface ◽  
Internal Bias ◽  
Pushing And Pulling

<p>We use second harmonic generation spectroscopy, molecular dynamics simulation, and theoretical modeling to study the response of the neat liquid water-air interface to changes in the potential of an external electrode positioned above the liquid. We observe a parabolic dependence of second harmonic intensity on applied potential, indicating that water’s net interfacial dipole responds linearly. We also observe a minimum intensity when the potential is tuned to a specific positive value. Interpreting this minimum based on the macroscopic electrostatic potential profile yields misleading physical conclusions because it neglects the internal bias exerted on molecular orientations by the excess surface concentrations of OH<sup>-</sup> or H<sub>3</sub>O<sup>+</sup>. We thus find that water’s net interfacial dipole orientation is primarily responsive to the effects of these ionic species rather than the external electric field. </p>

scholarly journals Pushing and Pulling on OH-and H3O+ with Electric Fields Across Water’s Surface

2021 ◽  
Author(s):  
kamal ray ◽  
Aditya Limaye ◽  
Ankur Saha ◽  
Ka Chon Ng ◽  
Adam Willard ◽  
...  
Keyword(s):  
Electric Fields ◽  
Second Harmonic ◽  
Ionic Species ◽  
Dynamics Simulation ◽  
Dipole Orientation ◽  
Harmonic Intensity ◽  
Air Interface ◽  
Excess Surface ◽  
Internal Bias ◽  
Pushing And Pulling

<p>We use second harmonic generation spectroscopy, molecular dynamics simulation, and theoretical modeling to study the response of the neat liquid water-air interface to changes in the potential of an external electrode positioned above the liquid. We observe a parabolic dependence of second harmonic intensity on applied potential, indicating that water’s net interfacial dipole responds linearly. We also observe a minimum intensity when the potential is tuned to a specific positive value. Interpreting this minimum based on the macroscopic electrostatic potential profile yields misleading physical conclusions because it neglects the internal bias exerted on molecular orientations by the excess surface concentrations of OH<sup>-</sup> or H<sub>3</sub>O<sup>+</sup>. We thus find that water’s net interfacial dipole orientation is primarily responsive to the effects of these ionic species rather than the external electric field. </p>

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