scholarly journals Self-assembly and glass-formation in a lattice model of telechelic polymer melts: Influence of stiffness of the sticky bonds

2016 ◽  
Vol 144 (21) ◽  
pp. 214903
Author(s):  
Wen-Sheng Xu ◽  
Karl F. Freed
Keyword(s):  
Lattice Model ◽  
Self Assembly ◽  
Glass Formation ◽  
Polymer Melts ◽  
Telechelic Polymer

Self-assembly of carbon nanotubes in polymer melts: simulation of structural and electrical behaviour by hybrid particle-field molecular dynamics

Nanoscale ◽  
2016 ◽  
Vol 8 (34) ◽  
pp. 15538-15552 ◽  
Author(s):  
Ying Zhao ◽  
Maksym Byshkin ◽  
Yue Cong ◽  
Toshihiro Kawakatsu ◽  
Liberata Guadagno ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Self Assembly ◽  
Polymer Melts ◽  
Electrical Behaviour ◽  
Particle Field ◽  
Hybrid Particle

scholarly journals Cellulose nanocrystal-based materials: from liquid crystal self-assembly and glass formation to multifunctional thin films

2014 ◽  
Vol 6 (1) ◽  
pp. e80-e80 ◽  
Author(s):  
Jan P F Lagerwall ◽  
Christina Schütz ◽  
Michaela Salajkova ◽  
JungHyun Noh ◽  
Ji Hyun Park ◽  
...  
Keyword(s):  
Thin Films ◽  
Liquid Crystal ◽  
Self Assembly ◽  
Glass Formation ◽  
Cellulose Nanocrystal

scholarly journals Slow Dynamics of Ring Polymer Melts by Asymmetric Interaction of Threading Configuration: Monte Carlo Study of a Dynamically Constrained Lattice Model

Polymers ◽  
2019 ◽  
Vol 11 (3) ◽  
pp. 516 ◽  
Author(s):  
Eunsang Lee ◽  
YounJoon Jung
Keyword(s):  
Monte Carlo ◽  
Internal Structure ◽  
Lattice Model ◽  
Polymer Melts ◽  
Field Analysis ◽  
Einstein Relation ◽  
Slow Dynamics ◽  
Tree Model ◽  
Structure Relaxation ◽  
Ring Polymer

Abnormally slower diffusional processes than its internal structure relaxation have been observed in ring polymeric melt systems recently. A key structural feature in ring polymer melts is topological constraints which allow rings to assume a threading configuration in the melt phase. In this work, we constructed a lattice model under the assumption of asymmetric diffusivity between two threading rings, and investigated a link between the structural correlation and its dynamic behavior via Monte Carlo simulations. We discovered that the hierarchical threading configurations render the whole system to exhibit abnormally slow dynamics. By analyzing statistical distributions of timescales of threading configurations, we found that the decoupling between internal structure relaxation and diffusion is crucial to understand the threading effects on the dynamics of a ring melt. In particular, in the limit of small but threaded rings, scaling exponents of the diffusion coefficient D and timescale τ diff with respect to the degree of polymerization N agree well with that of the annealed tree model as well as our mean-field analysis. As N increases, however, the ring diffusion abruptly slows down to the glassy behavior, which is supported by a breakdown of the Stokes–Einstein relation.

scholarly journals DNA brick self-assembly with an off-lattice potential

Soft Matter ◽  
2016 ◽  
Vol 12 (29) ◽  
pp. 6253-6260 ◽  
Author(s):  
Aleks Reinhardt ◽  
Daan Frenkel
Keyword(s):  
Lattice Model ◽  
Self Assembly ◽  
Coarse Grained ◽  
Lattice Potential

We show that many-component addressable self-assembly of DNA bricks is possible to achieve with a coarse-grained but realistic off-lattice model.

A Wang-Landau study of a lattice model for lipid bilayer self-assembly

2012 ◽  
Vol 137 (14) ◽  
pp. 144901 ◽  
Author(s):  
Lili Gai ◽  
Katie A. Maerzke ◽  
Peter T. Cummings ◽  
Clare McCabe
Keyword(s):  
Lipid Bilayer ◽  
Lattice Model ◽  
Self Assembly

scholarly journals Generalized entropy theory of glass-formation in fully flexible polymer melts

2016 ◽  
Vol 145 (23) ◽  
pp. 234509 ◽  
Author(s):  
Wen-Sheng Xu ◽  
Jack F. Douglas ◽  
Karl F. Freed
Keyword(s):  
Glass Formation ◽  
Polymer Melts ◽  
Entropy Theory ◽  
Generalized Entropy ◽  
Flexible Polymer
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