Molecular dynamics simulation study on the structural properties of poly (ethylene terephthalate) under uniaxial extension and thermal shrinkage processes

2018 ◽  
Vol 18 (1) ◽  
pp. 19-26 ◽  
Author(s):  
Ki Chul Kim ◽  
Seung Soon Jang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Properties ◽  
Simulation Study ◽  
Ethylene Terephthalate ◽  
Uniaxial Extension ◽  
Dynamics Simulation ◽  
Thermal Shrinkage ◽  
Poly Ethylene Terephthalate ◽  
Poly Ethylene

Molecular Dynamics Simulation of Poly(ethylene terephthalate) Oligomers

2010 ◽  
Vol 114 (2) ◽  
pp. 786-795 ◽  
Author(s):  
Qifei Wang ◽  
David J. Keffer ◽  
Simioan Petrovan ◽  
J. Brock Thomas
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ethylene Terephthalate ◽  
Dynamics Simulation ◽  
Poly Ethylene Terephthalate ◽  
Poly Ethylene

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

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.

Sign in / Sign up

Export Citation Format

Share Document