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1.
J Chem Phys ; 125(15): 154905, 2006 Oct 21.
Artículo en Inglés | MEDLINE | ID: mdl-17059291

RESUMEN

Cell dynamics simulation is used to investigate pathways of sphere-to-cylinder transition in block copolymer melt under applied simple shear flow and electric field. Both fields can induce the transition when their strength is above some critical value. At weak fields the spherical phase is preserved, with spheres being deformed into ellipsoids. Weak shear flow is found to improve order in the spherical phase. Observed sliding of layers of spheres under shear is very similar to the experimental finding by Hamley et al. [J. Chem. Phys. 108, 6929 (1998)]. The kinetic pathways are sensitive to the degree of microphase separation in the system and hence affected by temperature. The details of the pathways are described by means of Minkowski functionals.

2.
J Chem Phys ; 121(9): 4430-40, 2004 Sep 01.
Artículo en Inglés | MEDLINE | ID: mdl-15332994

RESUMEN

We introduce and apply a variant of a dynamic self-consistent field simulation in two dimensions to predict the structure of interfaces between a nematic and an amorphous polymer compatibilized by a diblock copolymer. First, we investigate the effect of the nematic order on the polymer polymer interface without compatibilizer. Then we include the compatibilizer and consider two interfacial setups previously used in experiments, i.e., the bilayer setup and the trilayer setup. In the bilayer setup the diblock copolymer is mixed into the amorphous homopolymer and migrates to the interface in the course of the simulation forming a layered structure. We compare the amount of copolymer at the interface for initial concentrations of the copolymer below and above the critical micelle concentration. In the trilayer setup the initial thickness of the diblock copolymer is varied. The resulting interfacial morphology evolves in the competition between the lamellar structure induced by the interface and a micellar structure, which is intrinsic to the copolymer.

3.
Phys Rev E Stat Nonlin Soft Matter Phys ; 64(1 Pt 1): 011704, 2001 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-11461272

RESUMEN

In this paper, a deterministic model, which considers the three Frank elastic constants, is introduced. It is based on a lattice model and a director is used to represent the orientation of the liquid crystals in each cell. A tensor expression of the so-called "texture field" is deduced so that the nematic symmetry is conserved automatically. In the current model, the evolution of the director field can be viewed as a process towards the state of zero elastic torque. The model forms the basis for an improved understanding of the mesoscale structures and rheological phenomena of nematic liquid-crystalline polymers. It has been tested in its ability to reproduce the Fréedericksz transitions, and simulations of thin liquid crystalline polymer films clearly show the effect of unequal elastic constants on the director microstructure evolution.

4.
Phys Rev A Gen Phys ; 38(4): 2148-2157, 1988 Aug 15.
Artículo en Inglés | MEDLINE | ID: mdl-9900614
5.
Phys Rev Lett ; 58(15): 1541-1543, 1987 Apr 13.
Artículo en Inglés | MEDLINE | ID: mdl-10034465
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