Fracture of polymer chains in extensional flow: Experiments with DNA, and a molecular‐dynamics simulation

1990 ◽  
Vol 92 (4) ◽  
pp. 2650-2662 ◽  
Author(s):  
Howard R. Reese ◽  
Bruno H. Zimm
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Extensional Flow ◽  
Polymer Chains ◽  
Dynamics Simulation ◽  
Flow Experiments

Molecular dynamics simulation study of adsorption of polymer chains with variable degree of rigidity. I. Static properties

1996 ◽  
Vol 104 (12) ◽  
pp. 4806-4813 ◽  
Author(s):  
E. Yu. Kramarenko ◽  
R. G. Winkler ◽  
P. G. Khalatur ◽  
A. R. Khokhlov ◽  
P. Reineker
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Polymer Chains ◽  
Dynamics Simulation ◽  
Variable Degree ◽  
Static Properties

Molecular dynamics simulation of thermo-mechanical behaviour of elastomer cross-linked via multifunctional zwitterions

2019 ◽  
Vol 21 (38) ◽  
pp. 21615-21625 ◽  
Author(s):  
Naveed Athir ◽  
Ling Shi ◽  
Sayyed Asim Ali Shah ◽  
Zhiyu Zhang ◽  
Jue Cheng ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Mechanical Behaviour ◽  
Mechanical Response ◽  
Polymer Chains ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Dynamics Simulations

Coarse-grained (CG) molecular dynamics simulations have been employed to study the thermo-mechanical response of a physically cross-linked network composed of zwitterionic moieties and fully flexible elastomeric polymer chains.

Effects of thermal shrinkage temperatures and comonomers on thermal shrinkage of uniaxially-stretched PET copolymer films: a molecular dynamics simulation approach

2018 ◽  
Vol 42 (7) ◽  
pp. 4991-4997 ◽  
Author(s):  
Ki Chul Kim ◽  
Seung Soon Jang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Conformational Change ◽  
Polymer Chains ◽  
Dynamics Simulation ◽  
Thermal Shrinkage ◽  
Simulation Approach ◽  
Copolymer Films

Thermal shrinkage ratios for PET copolymer models are correlated with the conformational change of polymer chains at molecular levels.

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