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    Theoretical Reconstruction of the Structure and Dynamics of Polymer Melts from Their Coarse-Grained Description

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    A theoretical formalism to reconstruct structural and dynamical properties of polymer liquids from their coarse-grained description is developed. This formalism relies on established earlier analytical coarse-graining of polymers derived from the first principles of liquid theory. The polymer chain is represented at a mesoscale level as a soft particle. Coarse-grained computer simulations provide input data to the reconstruction formalism and allow one to achieve the most gain in computational efficiency. The structure of polymer systems is reconstructed by combining global information from mesoscale simulations and local information from small united-atom simulations. The obtained monomer total correlation function is tested for a number of systems including polyethylene melts of different degrees of polymerization as well as melts with different local chemical structure. The agreement with full united-atom simulations is quantitative, and the procedure remains advantageous in computational time. The dynamics in mesoscale simulations is artificially accelerated due to the coarse-graining procedure and needs to be rescaled. The proposed formalism addresses two rescalings of the dynamics. First, the internal degrees of freedom averaged out during coarse-graining procedure are reintroduced in "a posteriori" manner, rescaling the simulation time. The second rescaling takes into account the change in friction when switching from a monomer level description to mesoscopic. Both friction coefficients for monomer and soft particle are calculated analytically and their ratio provides the rescaling factor for the diffusion coefficient. The formalism is extensively tested against the united-atom molecular dynamic simulations and experimental data. The reconstructed diffusive dynamics of the center-of-mass for polyethylene and polybutadiene melts of increasing degrees of polymerization show a quantitative agreement, supporting the foundation of the approach. Finally, from the center-of-mass diffusion the monomer friction coefficient is obtained and used as an input into Cooperative Dynamics theory. The dynamics of polymer chains at any length scale of interest is described through a Langevin equation. In summary, the proposed formalism reconstructs the structure and dynamics of polymer melts enhancing computational efficiency of molecular dynamic simulations. This dissertation includes previously published and unpublished co-authored material

    Analysis of the booster DC to DC converter with feedback

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    The field effect power transistors are used in many applications in electromechanical systems. Control of the field effect power transistors requires isolated 5V control signals and isolated 12V DC sources. The first problem is resolved by using optical pairs: light emitting diodes with phototransistors. The second problem can be resolved by using impulse voltage sources. The primary coil of a transformer is connected to the battery by a transistor switch. In the first period of operation of this voltage source, the energy is stored in the magnetic field of transformer’s inductance. In the second period, the energy is delivered to the output voltage source. Energy is delivered from the secondary transformer’s coil to the output capacitor through a diode. As a rule, one separate voltage source has a small power, that is why one impulse voltage source can have the necessary number of isolated output voltage sources, i.e., 3, 6, 9, 12, etc So, we can design an impulse DC to DC voltage source with multiple isolated output voltage sources. By changing the charge time of the inductor, we can control the output voltage by using negative feedback proportional to the output voltage and / or a current. In the report, different variants of impulse voltage sources are considered, with analog base elements and on the base of microprocessors. Analyses operation of these impulse voltage sources enable us to determine the period (frequency) of internal operation with ordered maximum transformer efficiency values. The concept of controlled impulse voltage sources is very important because these sources are very simple. They are reliable and have high level of electrical isolation

    Elastic and inelastic collisions of interfacial solitons and integrability of two-layer fluid system subject to horizontal vibrations

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    We study interfacial waves in a system of two horizontal layers of immiscible inviscid fluids involved into horizontal vibrational motion. We analyze the linear and nonlinear stability properties of the solitons in the system and consider two-soliton collision scenarios. We describe the events of explosive formation of sharp peaks on the interface, which may presumably lead to the layer rapture, and find that beyond the vicinity of this peaks the system dynamics can be represented as a kinetics of a soliton gas.Comment: 6 pages, 6 figures, to appear in Europhys. Let
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