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Taras Y. Molotilin

Publications and source records attributed to Taras Y. Molotilin.

2 recordsLinked to original sources

Star polymers as unit cells for coarse-graining cross-linked networks

Reducing the complexity of cross-linked polymer networks by preserving their main macroscale properties, is key to understanding them, and a crucial issue is to relate individual properties of the polymer constituents to those of the reduced network. Here we study polymer networks in a good solvent, by considering star polymers as their unit elements, and first quantify the interaction between their centers of masses. We then reduce the complexity of a network by replacing sets of its bridged star polymers by equivalent effective soft particles with dense cores. Our coarse graining allows us to approximate complex polymer networks by much simpler ones, keeping their relevant mechanical properties, as illustrated in computer experiments on an isotropic compression.

cond-mat.soft↗

Electrophoresis of Janus Particles: a Molecular Dynamics simulation study

In this work, we use Molecular Dynamics and Lattice-Boltzmann simulations to study the properties of charged Janus particles in an electric field. We show that for relatively small net charge and thick electrostatic diffuse layer mobilities of Janus particles and uniformly charged colloids of the same net charge are identical. However, for higher charges and thinner diffuse layers Janus particles always show lower electrophoretic mobility. We also demonstrate that Janus particles align with the electric field and the angular deviation from the field's direction are related to their dipole moment. We show that the latter is affected by the thickness of the electrostatic diffuse layer and strongly correlates with the electrophoretic mobility.

cond-mat.soft↗