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Губин, Сергей Александрович

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Институт лазерных и плазменных технологий

Стратегическая цель Института ЛаПлаз – стать ведущей научной школой и ядром развития инноваций по лазерным, плазменным, радиационным и ускорительным технологиям, с уникальными образовательными программами, востребованными на российском и мировом рынке образовательных услуг.

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Губин

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Сергей Александрович

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Теперь показываю 1 - 10 из 18

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The accuracy of the theories based on statistical physics for the thermodynamic modeling of state parameters of dense pure gases (fluids)
(2019) Victorov, S. B.; Gubin, S. A.; Губин, Сергей Александрович
© 2019 Published under licence by IOP Publishing Ltd.A comparison of the accuracy of calculations of the parameters of the state of dense supercritical gases (fluids) using the equations of state (EOS), obtained using the three best one fluid theories HMSA/C, MRCSR and KLRR-T, based on the given potentials of intermolecular interactions and the laws of statistical mechanics is carried out. The best agreement of the calculated state parameters with Monte Carlo data was obtained for the EOS based on the HMSA/C and KLRR-T theories.
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Simulation of the isothermal and Hugoniot characteristics of organic compounds via the reactive molecular dynamics
(2020) Kozlova, S. A.; Gubin, S. A.; Maklashova, I. V.; Губин, Сергей Александрович; Маклашова, Ирина Владимировна
© Published under licence by IOP Publishing Ltd.This article provides the results of reactive molecular dynamics simulation of shock loading of cyclic hydrocarbon C6H6 and isotherm curve of energy-intensive nitramine C4H8N8O8. To describe the interatomic interaction, as well as to analyze the kinetics of decomposition, we used two parameterizations of the reactive force field ReaxFF. In this paper, we compared the capabilities of ReaxFF force fields to describe the kinetics of the decomposition of benzene behind the front of a shock wave and the ability to reproduce phase transformations of carbon under conditions of high pressures and temperatures. The results obtained are in good agreement with the experiment.
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Thermodynamic calculation of carbothermic reduction of silicon using methane
(2021) Kurbanov, M. S.; Nuraliev, U. M.; Gubin, S. A.; Kudinov, A. V.; Maklashova, I. V.; Губин, Сергей Александрович; Маклашова, Ирина Владимировна
© 2021 Institute of Physics Publishing. All rights reserved.Based on the analysis of the equilibrium thermodynamic calculation results, a range of values of the solid silicon dioxide (%m SiO2) mass content is found for obtaining high values of the mass fractions of liquid silicon formed during pyrolysis of a condensed coal and methane gas mixture at atmospheric pressure. The calculated values of this range of the silicon dioxide mass content are consistent with the experimental data obtained.
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Calculation of thermodynamic properties of metals and their binary alloys by the perturbation theory
(2021) Bogdanova, Y. A.; Gubin, S. A.; Maklashova, I. V.; Богданова, Юлия Андреевна; Губин, Сергей Александрович; Маклашова, Ирина Владимировна
© 2021 by the authors. Licensee MDPI, Basel, Switzerland.This paper presents the results of calculating the thermodynamic properties of aluminum, copper, and their binary alloys under isothermal and shock compression. The calculations were performed by a theoretical equation of state based on perturbation theory. The pair Morse potential was used to describe the intermolecular interaction in metals. The calculation results are in good agreement with the experimental data and the results of molecular dynamics modeling performed in this work using the LAMMPS software package. Furthermore, it is shown that the equation of state based on the perturbation theory with the corresponding potential of intermolecular interaction can be used to calculate the thermodynamic properties of gaseous (fluid) systems and pure metals and their binary alloys.
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Comparison of molecular dynamics simulation methods of methane shockwave compression
(2020) Kudinov, A. V.; Gubin, S. A.; Bogdanova, Yu. A.; Губин, Сергей Александрович; Богданова, Юлия Андреевна
© Published under licence by IOP Publishing Ltd.Shockwave compression of methane was simulated using the molecular dynamics method with Hugoniostat and MSST approach. The calculation was carried out employing ReaxFFlg potential. We show comparison of simulated Hugoniots for pressure range 0,1-44 GPa and times required for simulation run of two different methods. We also compare two ReaxFF potentials: ReaxFF(2008) and ReaxFF-lg.
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Molecular dynamics simulation of polymerization of the carbon under thermal decomposition of methane at constant volume
(2020) Kudinov, A. V.; Gubin, S. A.; Bogdanova, Yu. A.; Губин, Сергей Александрович; Богданова, Юлия Андреевна
© Published under licence by IOP Publishing Ltd.Thermal decomposition of methane was simulated at high temperature and pressure using the molecular dynamics method. The calculation was carried out employing ReaxFFlg potential. We show the dependence of the decomposition products on time and the results of methane polymerization at constant temperature. We also show the influence of gradual temperature decrease at the size of the polymers.
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Thermodynamic modeling of hydrogen fluid parameters at isentropic and shock wave compression
(2020) Gubin, S. A.; Maklashova, I. V.; Mamedov, Z. I.; Губин, Сергей Александрович; Маклашова, Ирина Владимировна
© Published under licence by IOP Publishing Ltd.The thermophysical parameters of hydrogen were calculated based on the model of a theoretically substantiated wide-range equation of state constructed using the potentials of intermolecular interactions Exp-6 using perturbation theory and statistical mechanics relations. The calculation results are consistent with experimental data and calculations of other authors.
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Application of the perturbation theory for the calculation of thermodynamic and transport properties of hydrogen and its isotopes
(2020) Bogdanova, Yu. A.; Maklashova, I. V.; Gubin, S. A.; Vagina, U. D.; Богданова, Юлия Андреевна; Маклашова, Ирина Владимировна; Губин, Сергей Александрович
© 2020 Published under licence by IOP Publishing Ltd.In this paper, we analyzed the analytical relationships in the literature to calculate the viscosity coefficient obtained from the Chapman-Enskog kinetic theory using the Lennard-Jones pair interaction potential. In the proposed formulas for calculating the viscosity of individual substances, there are values of the radial distribution function and the hard-sphere diameter. These quantities were obtained using a technique developed previously by the authors based on the perturbation theory used to calculate the thermophysical properties of substances
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The influence of type of the intermolecular interaction potential on transport properties of helium
(2020) Amir, Zh. A.; Bogdanova, Yu. A.; Maklashova, I. V.; Gubin, S. A.; Богданова, Юлия Андреевна; Маклашова, Ирина Владимировна; Губин, Сергей Александрович
© Published under licence by IOP Publishing Ltd.A method for calculating the transport properties of helium based on the results of thermodynamic modeling using a theoretically equation of state obtained using perturbation theory is presented. The influence of the type of interparticle interaction potential on the accuracy of calculating the helium's viscosity and thermal conductivity is shown in comparison with the known experimental data.
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Modeling of Thermophysical Properties and Transport Properties of Basic Combustion Products of Organic Substances
(2020) Amir, Z. A.; Bogdanova, Y. A.; Gubin, S. A.; Богданова, Юлия Андреевна; Губин, Сергей Александрович
© 2020, Pleiades Publishing, Ltd.Abstract: Using the equation of state, on the basis of perturbation theory, the thermophysical properties of the main combustion products N2, O2, CO2, and H2 of organic substances are calculated under normal conditions and in the region of high pressures. The method of calculating the viscosity of individual substances based on the Chapman–Enskog equation using the values of the radial distribution function is analyzed.