Develop Molecular Dynamics Method to Simulate the Flow and Thermal Domains of H2O/Cu Nanofluid in a Nanochannel Affected by an External Electric Field

2020 ◽  
Vol 41 (9) ◽  
Author(s):  
Alitaghi Asgari ◽  
Quyen Nguyen ◽  
Arash Karimipour ◽  
Quang-Vu Bach ◽  
Maboud Hekmatifar ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
External Electric Field ◽  
Molecular Dynamics Method ◽  
Dynamics Method

Modeling the Effect of External Electric Fields on the Dynamics of a Confined Water Nano-Droplet

2021 ◽  
Vol 67 ◽  
pp. 89-96
Author(s):  
Mahboubeh Kargar ◽  
Amir Lohrasebi
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
External Electric Field ◽  
Electric Fields ◽  
Water Droplet ◽  
Water Molecules ◽  
Confined Water ◽  
External Electric Fields ◽  
Water Filters ◽  
Dynamics Method

The effects of the application of constant electric fields on the dynamics of a confined water droplet between two different surfaces are investigated, by using a molecular dynamics method. It is found that the water molecules responded to the electric field, which partially depends on the wettability of the different surfaces. The results reveal that the application of external electric fields causes to create extra pressure on the surfaces, which are theoretically justified. The induced pressure could be experienced by multilayer nano-filters, which are used in desalination processes, with the aid of an external electric field, and may reduce the water filters shelf life.

Study on Interactive Multi-resolution Molecular Dynamics Method

2000 ◽  
Vol 20 (1Supplement) ◽  
pp. 43-46
Author(s):  
Ken-ichi SAITOH ◽  
Takashi DOI ◽  
Masao KOMAYA ◽  
Takehiko INABA
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Method ◽  
Dynamics Method

Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins

2015 ◽  
Vol 119 (46) ◽  
pp. 14594-14603 ◽  
Author(s):  
Ole Juul Andersen ◽  
Julie Grouleff ◽  
Perri Needham ◽  
Ross C. Walker ◽  
Frank Jensen
Keyword(s):  
Molecular Dynamics ◽  
Conformational Changes ◽  
Molecular Dynamics Method ◽  
Enhanced Sampling ◽  
Dynamics Method
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