Self-assembly of donor–acceptor semiconducting polymers in solution thin films: a molecular dynamics simulation study

2017 ◽  
Vol 5 (37) ◽  
pp. 9602-9610 ◽  
Author(s):  
Makoto Yoneya ◽  
Satoshi Matsuoka ◽  
Jun’ya Tsutsumi ◽  
Tatsuo Hasegawa
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Semiconducting Polymers ◽  
Dynamics Simulation ◽  
Polymer Thin Film ◽  
Donor Acceptor

The direction of π-stacking in a polymer thin film is crucially important in applications of semiconducting polymers.

The Study on Young's Modulus of Multilayered Cu/Ni Multilayered Nano Thin Films by Molecular Dynamics Simulation

2014 ◽  
Vol 513-517 ◽  
pp. 113-116
Author(s):  
Jen Ching Huang ◽  
Fu Jen Cheng ◽  
Chun Song Yang
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Strain Rate ◽  
Young’S Modulus ◽  
Potential Function ◽  
Dynamics Simulation ◽  
System Temperature ◽  
Simulation Results

The Youngs modulus of multilayered nanothin films is an important property. This paper focused to investigate the Youngs Modulus of Multilayered Ni/Cu Multilayered nanoThin Films under different condition by Molecular Dynamics Simulation. The NVT ensemble and COMPASS potential function were employed in the simulation. The multilayered nanothin film contained the Ni and Cu thin films in sequence. From simulation results, it is found that the Youngs modulus of Cu/Ni multilayered nanothin film is different at different lattice orientations, temperatures and strain rate. After experiments, it can be found that the Youngs modulus of multilayered nanothin film in the plane (100) is highest. As thickness of the thin film and system temperature rises, Youngs modulus of multilayered nanothin film is reduced instead. And, the strain rate increases, the Youngs modulus of Cu/Ni multilayered nanothin film will also increase.

Self-Assembly of Poly(4-methylstyrene)-g-poly(methacrylic acid) Graft Copolymer in Selective Solvents for Grafts: Scattering and Molecular Dynamics Simulation Study

Langmuir ◽  
2010 ◽  
Vol 26 (12) ◽  
pp. 9289-9296 ◽  
Author(s):  
Miroslav Štěpánek ◽  
Peter Košovan ◽  
Karel Procházka ◽  
Miroslav Janata ◽  
Miloš Netopilík ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Graft Copolymer ◽  
Simulation Study ◽  
Methacrylic Acid ◽  
Self Assembly ◽  
Dynamics Simulation ◽  
Selective Solvents

Investigating limiting factors for self-assembly of carbon nanotubes: A molecular dynamics simulation study

2020 ◽  
Vol 504 ◽  
pp. 144397 ◽  
Author(s):  
Jianwei Zhang ◽  
Jianlei Cui ◽  
Fengqi Wei ◽  
Wenjun Wang ◽  
Xiaoqiao He ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Dynamics Simulation ◽  
Limiting Factors

Molecular dynamics simulation study of the dynamics of fluids in thin films

1996 ◽  
Vol 104 (20) ◽  
pp. 8103-8111 ◽  
Author(s):  
Roland G. Winkler ◽  
Rolf H. Schmid ◽  
Anja Gerstmair ◽  
Peter Reineker
Keyword(s):  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation
Sign in / Sign up

Export Citation Format

Share Document