Ilnytskyi J. Phase transformations in polymers and liquid crystals: computer modelling on various length- and timescales

Українська версія

Thesis for the degree of Doctor of Science (DSc)

State registration number

0510U000236

Applicant for

Specialization

  • 01.04.24 - Фізика колоїдних систем

03-03-2010

Specialized Academic Board

Д35.156.01

Essay

Methods for computer modelling of liquid crystalline and polymer systems are developed. Nematic phase transition is studied at various anisotropy of molecular interactions and with the presence of disorder. Parallel program set is developed for molecular dynamics simulation of macromolecules with arbitrary architecture. Rotational viscosity of the Gay-Berne model and dye crystallization in nanocapsule are studied. Microscopical mechanisms for the photo-induced deformations of azobenzene films are established. Using dissipative particle dynamics, scaling exponents are obtained for a polymer chain in a good solvent and the properties of phases formed by linear and branched copolymers are predicted.

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