Effect of surface coupling agents on the mechanical behaviour of polypropylene/silica composites: a molecular dynamics study

2021 ◽  
Vol 28 (2) ◽  
Author(s):  
Qing-Xiang Pei ◽  
Viacheslav Sorkin ◽  
Ping Liu ◽  
Yucheng Zhong ◽  
Warintorn Thitsartarn ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Mechanical Behaviour ◽  
Coupling Agents ◽  
Effect Of Surface ◽  
Surface Coupling

scholarly journals Atomistic investigation into the mechanical behaviour of crystalline and amorphous TiO2 nanotubes

RSC Advances ◽  
2016 ◽  
Vol 6 (33) ◽  
pp. 28121-28129 ◽  
Author(s):  
Yanan Xu ◽  
Mingchao Wang ◽  
Ning Hu ◽  
John Bell ◽  
Cheng Yan
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Titanium Dioxide ◽  
Molecular Dynamics Simulations ◽  
Mechanical Behaviour ◽  
Tio2 Nanotubes ◽  
Amorphous Tio2 ◽  
Dynamics Simulations

The mechanical properties of titanium dioxide (TiO2) nanotubes are studied based on molecular dynamics simulations.

Exceptional behavior of anatase TiO2 nanotubes in axial loading: A molecular dynamics study of the effect of surface wrinkles

2019 ◽  
Vol 158 ◽  
pp. 307-314 ◽  
Author(s):  
Iman Zeydabadi-Nejad ◽  
Naeem Zolfaghari ◽  
Mahmoud Mosavi-Mashhadi ◽  
Majid Baniassadi
Keyword(s):  
Molecular Dynamics ◽  
Tio2 Nanotubes ◽  
Axial Loading ◽  
Anatase Tio2 ◽  
Effect Of Surface

scholarly journals Surface Energy-Controlled Self-Collapse of Carbon Nanotube Bundles With Large and Reversible Volumetric Deformation

2013 ◽  
Vol 80 (4) ◽  
Author(s):  
Yuan Cheng ◽  
Nicola Maria Pugno ◽  
Xinghua Shi ◽  
Bin Chen ◽  
Huajian Gao
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Surface Energy ◽  
Nanotube Bundles ◽  
Volumetric Deformation ◽  
Equilibrium Configurations ◽  
Simulation Results ◽  
Dynamics Simulations ◽  
Effect Of Surface

Molecular dynamics simulations are performed to investigate the effect of surface energy on equilibrium configurations and self-collapse of carbon nanotube bundles. It is shown that large and reversible volumetric deformation of such bundles can be achieved by tuning the surface energy of the system through an applied electric field. The dependence of the bundle volume on surface energy, bundle radius, and nanotube radius is discussed via a dimensional analysis and determined quantitatively using the simulation results. The study demonstrates potential of carbon nanotubes for applications in nanodevices where large, reversible, and controllable volumetric deformations are desired.

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