scholarly journals Microscopic mechanism on coalescence of the nano-droplets in present non-uniform electric field by molecular dynamics simulations

AIP Advances ◽  
2016 ◽  
Vol 6 (11) ◽  
pp. 115019 ◽  
Author(s):  
Qicheng Chen ◽  
Jie Ma ◽  
Bingbing Wang ◽  
Yingjin Zhang
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Molecular Dynamics Simulations ◽  
Uniform Electric Field ◽  
Microscopic Mechanism ◽  
Dynamics Simulations

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.

scholarly journals Molecular Dynamics Simulations of Liquid-Liquid Interfaces in an Electric Field: the Water-1,2-Dichloroethane Interface

2020 ◽  
Author(s):  
Paolo Raiteri ◽  
Peter Kraus ◽  
Julian Gale
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Molecular Dynamics Simulations ◽  
External Electric Field ◽  
Electric Fields ◽  
Liquid Interfaces ◽  
Ewald Summation ◽  
External Electric Fields ◽  
Simulation Cell ◽  
Dynamics Simulations

Molecular dynamics simulations of the liquid-liquid interface between water and 1,2-Dichloroethane in the presence of weak external electric fields.<div>The effect of the use of 3D periodic Ewald summation and the effect of the simulation setup are discussed.</div><div>A new simple geometric method for designing the simulation cell is proposed. This method was thoroughly tested shown that it mitigates any artefacts to the use of 3D Ewald summation with external electric field.</div>

scholarly journals Analysis of an all-solid state nanobattery using molecular dynamics simulations under an external electric field

2021 ◽  
Vol 23 (1) ◽  
pp. 597-606
Author(s):  
Victor Ponce ◽  
Diego E. Galvez-Aranda ◽  
Jorge M. Seminario
Keyword(s):  
Molecular Dynamics ◽  
Solid State ◽  
Electric Field ◽  
Molecular Dynamics Simulations ◽  
External Electric Field ◽  
Dynamics Simulations

Speciation at the SEI and SSE of a solid-state nanobattery.

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