Jaroslav M. Ilnytskyi

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A coarse-grained simulation model for a third generation liquid crystalline dendrimer (LCDr) is presented. It allows, for the first time, for a successful molecular simulation study of a relation between the shape of a polyphilic macromolecular mesogen and the symmetry of a macroscopic phase. The model dendrimer consists of a soft central sphere and 32(More)
We performed molecular dynamics simulations of a liquid crystal elastomer of side-chain architecture. The network is formed from a melt of 28 molecules each having a backbone of 100 hydrocarbon monomers, to which 50 side chains are attached in a syndiotactic way. Crosslinking is performed in the smectic A phase. We observe an increase of the(More)
We apply density functional theory to study adsorption of ions, treated in the framework of the restricted primitive model (RPM), on surfaces modified by tethered polyampholytes. The residual electrostatic contribution to the free energy functional is approximated by using the approach proposed by Wang et al. [J. Phys.: Condens. Matter 23, 175002 (2011)](More)
Photo-induced deformations in azobenzene-containing polymers (azo-polymers) are central to a number of applications, such as optical storage and fabrication of diffractive elements. The microscopic nature of the underlying opto-mechanical coupling is yet not clear. In this study, we address the experimental finding that the scenario of the effects depends(More)
Using dissipative particle dynamics, we investigate the behavior of a binary mixture, exhibiting demixing in a bulk phase, confined in slit-like pores with walls modified by the stripes of tethered brush of chains. Our main interest is to determine possible morphologies that can be formed inside the pore, depending on the geometrical parameters(More)
We study the phase behavior of a two-component fluid in a pore with the walls modified by tethered chains. The walls are completely permeable for one component of the fluid and completely impenetrable for the second component. The fluid is perfectly mixed in a bulk phase. We have found that depending on the details of the model the fluid undergoes capillary(More)
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