نتایج جستجو برای: Molecular Dynamics Simulation

تعداد نتایج: 1506264  

Journal: :Computational Methods in Science and Technology 2016

Journal: :Journal of Mineralogical and Petrological Sciences 2002

Journal: :Journal of Adhesion Science and Technology 2008

Journal: :The Journal of Chemical Physics 1982

Journal: :Chemical Physics Letters 2023

Proton transport property is studied by modelling the intermolecular pair correlation functions of proton ion with electrode and electrolyte a polymer fuel cell (PEMFC) using Materials-Studio then applying molecular dynamics simulation. A stable structure novel design obtained density functional theory. When assumed as anhydrous, efficiency increases. Analysis coordination numbers shows that mo...

Journal: :international journal of nano dimension 0
f. moradi garakani aerospace research institute, tehran, iran. r. kalantarinejad aerospace research institute, tehran, iran.

in this work the conduction of ion-water solution through two discrete bundles of armchair carbon and silicon carbide nanotubes, as useful membranes for water desalination, is studied. in order that studies on different types of nanotubes be comparable, the chiral vectors of c and si-c nanotubes are selected as (7,7) and (5,5), respectively, so that    a similar volume of fluid is investigated ...

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