Coarse grained models for flexible liquid crystals: Parameterization of the bond fluctuation model

2004 ◽  
Vol 120 (4) ◽  
pp. 2026-2033 ◽  
Author(s):  
Martin A. Bates
Keyword(s):  
Liquid Crystals ◽  
Coarse Grained ◽  
Bond Fluctuation ◽  
Fluctuation Model

Conformation and segmental mobility of a diluted single polymer chain simulated with bond fluctuation model

2012 ◽  
Vol 358 (12-13) ◽  
pp. 1452-1458 ◽  
Author(s):  
R. Sabater i Serra ◽  
C. Torregrosa-Cabanilles ◽  
J.M. Meseguer-Dueñas ◽  
J.L. Gómez Ribelles ◽  
J. Molina-Mateo
Keyword(s):  
Polymer Chain ◽  
Segmental Mobility ◽  
Single Polymer Chain ◽  
Bond Fluctuation ◽  
Fluctuation Model

Modeling polyethylene with the bond fluctuation model

1997 ◽  
Vol 106 (2) ◽  
pp. 738-748 ◽  
Author(s):  
V. Tries ◽  
W. Paul ◽  
J. Baschnagel ◽  
K. Binder
Keyword(s):  
Bond Fluctuation ◽  
Fluctuation Model

scholarly journals Mesoscale structure of wrinkle patterns and defect-proliferated liquid crystalline phases

2020 ◽  
Vol 117 (8) ◽  
pp. 3938-3943 ◽  
Author(s):  
Oleh Tovkach ◽  
Junbo Chen ◽  
Monica M. Ripp ◽  
Teng Zhang ◽  
Joseph D. Paulsen ◽  
...  
Keyword(s):  
Liquid Crystals ◽  
Liquid Crystalline ◽  
Primary Source ◽  
Fixed Number ◽  
Coarse Grained ◽  
Buffer Zones ◽  
Ginzburg Landau ◽  
Mesoscale Structure ◽  
Liquid Crystalline Phases ◽  
Chiral Liquid Crystals

Thin solids often develop elastic instabilities and subsequently complex, multiscale deformation patterns. Revealing the organizing principles of this spatial complexity has ramifications for our understanding of morphogenetic processes in plant leaves and animal epithelia and perhaps even the formation of human fingerprints. We elucidate a primary source of this morphological complexity—an incompatibility between an elastically favored “microstructure” of uniformly spaced wrinkles and a “macrostructure” imparted through the wrinkle director and dictated by confinement forces. Our theory is borne out of experiments and simulations of floating sheets subjected to radial stretching. By analyzing patterns of grossly radial wrinkles we find two sharply distinct morphologies: defect-free patterns with a fixed number of wrinkles and nonuniform spacing and patterns of uniformly spaced wrinkles separated by defect-rich buffer zones. We show how these morphological types reflect distinct minima of a Ginzburg–Landau functional—a coarse-grained version of the elastic energy, which penalizes nonuniform wrinkle spacing and amplitude, as well as deviations of the actual director from the axis imposed by confinement. Our results extend the effective description of wrinkle patterns as liquid crystals [H. Aharoni et al., Nat. Commun. 8, 15809 (2017)], and we highlight a fascinating analogy between the geometry–energy interplay that underlies the proliferation of defects in the mechanical equilibrium of confined sheets and in thermodynamic phases of superconductors and chiral liquid crystals.

scholarly journals Conformation and dynamics of a diluted chain in the presence of an adsorbing wall: A simulation with the bond fluctuation model

2014 ◽  
Vol 402 ◽  
pp. 7-15 ◽  
Author(s):  
Roser Sabater i Serra ◽  
Constantino Torregrosa-Cabanilles ◽  
José María Meseguer Dueñas ◽  
José Luis Gómez Ribelles ◽  
José Molina-Mateo
Keyword(s):  
Bond Fluctuation ◽  
Fluctuation Model
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