Orientation of Anisometric Layered Silicate Particles in Uncompatibilized and Compatibilized Polymer Melts Under Shear Flow: A Dissipative Particle Dynamics Study

2015 ◽  
Vol 25 (1) ◽  
pp. 85-98 ◽  
Author(s):  
Ali Gooneie ◽  
Stephan Schuschnigg ◽  
Clemens Holzer
Keyword(s):  
Shear Flow ◽  
Polymer Melts ◽  
Dissipative Particle Dynamics ◽  
Layered Silicate ◽  
Particle Dynamics

scholarly journals Thinning Approximation for Calculating Two-Dimensional Scattering Patterns in Dissipative Particle Dynamics Simulations under Shear Flow

Polymers ◽  
2018 ◽  
Vol 10 (11) ◽  
pp. 1224 ◽  
Author(s):  
Katsumi Hagita ◽  
Takahiro Murashima ◽  
Nobuyuki Iwaoka
Keyword(s):  
Shear Flow ◽  
Polymer Melts ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Shear Direction ◽  
Two Dimensional ◽  
Bond Lengths ◽  
Dynamics Simulations

Modifications to improve thinning approximation (TA) were considered in order to calculate two-dimensional scattering patterns (2DSPs) for dissipative particle dynamics (DPD) simulations of polymer melts under a shear flow. We proposed multipoint TA and adaptive TA because the bond lengths in DPD chains vary widely when compared to those in Kremer–Grest (KG) chains, and the effectiveness of these two types of TA for the two major DPD parameter sets were investigated. In this paper, we report our findings on the original DPD model with soft bonds and that with rigid bonds. Based on the behavior of the 2DSPs and the distribution of orientations of the bond vectors, two spot patterns originating from the oriented chain correlations were observed when distinct distributions of the highly oriented bond vectors in the shear direction were obtained. For multipoint TA, we concluded that at least two additional midpoints ( n mid ≥ 2 ) are required to clearly observe the two spot patterns. For adaptive TA, a dividing distance of l ATA ≤ 0.4 is sufficient for clear observation, which is consistent with the requirement of n mid ≥ 2 for multipoint TA.

Recovering the reptation dynamics of polymer melts in dissipative particle dynamics simulations via slip-springs

2013 ◽  
Vol 138 (10) ◽  
pp. 104907 ◽  
Author(s):  
Michael Langeloth ◽  
Yuichi Masubuchi ◽  
Michael C. Böhm ◽  
Florian Müller-Plathe
Keyword(s):  
Polymer Melts ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Dynamics Simulations
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