Molecular dynamics simulation of thermodynamic and structural properties of silicate glass: Effect of the alkali oxide modifiers

2016 ◽  
Vol 448 ◽  
pp. 16-26 ◽  
Author(s):  
H. Jabraoui ◽  
E.M. Achhal ◽  
A. Hasnaoui ◽  
J.-L. Garden ◽  
Y. Vaills ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
Silicate Glass ◽  
Dynamics Simulation ◽  
Alkali Oxide

Molecular Dynamics Simulation of Transport and Structural Properties of CO2 Using Different Molecular Models

2015 ◽  
Vol 60 (8) ◽  
pp. 2188-2196 ◽  
Author(s):  
Haimin Zhong ◽  
Shuhui Lai ◽  
Jinyang Wang ◽  
Wenda Qiu ◽  
Hans-Dietrich Lüdemann ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
Dynamics Simulation ◽  
Molecular Models

scholarly journals Thermodynamics and structural properties of CaO: A molecular dynamics simulation study

2020 ◽  
Vol 152 (8) ◽  
pp. 084503 ◽  
Author(s):  
Cecilia M. S. Alvares ◽  
Guillaume Deffrennes ◽  
Alexander Pisch ◽  
Noël Jakse
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
Simulation Study ◽  
Dynamics Simulation

scholarly journals Structural Properties of Nonionic Tween80 Micelle in Water Elucidated by Molecular Dynamics Simulation

2012 ◽  
Vol 3 ◽  
pp. 287-297 ◽  
Author(s):  
Roghayeh Abedi Karjiban ◽  
Mahiran Basri ◽  
Mohd Basyaruddin Abdul Rahman ◽  
Abu Bakar Salleh
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
Dynamics Simulation

A coarse grained molecular dynamics simulation study on the structural properties of carbon nanotube–dendrimer composites

Soft Matter ◽  
2018 ◽  
Vol 14 (16) ◽  
pp. 3151-3163 ◽  
Author(s):  
Sajjad Kavyani ◽  
Mitra Dadvar ◽  
Hamid Modarress ◽  
Sepideh Amjad-Iranagh
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Hydrophobic Properties ◽  
Coarse Grained Molecular Dynamics

By coarse grained molecular dynamics, the effect of the size and hydrophilic/hydrophobic properties of the interior/exterior structures of the dendrimers in carbon nanotube–dendrimer composites has been studied, to find a stable composite with the capability to be used in drug delivery.

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