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Registration Number

0213U003931, 0110U001832 , R & D reports

Title

Theoretical researches and mathematical modeling of thermodynamical and kinetic processes in nonideal plasma and solids

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Літературний огляд з теми проекту. Аналіз сучасного стану досліджень термодинамічних і кінетичних властивостей неідеальної плазми і кристалічних бінарних сполук. Постановка задач дослідження Дослідження елементарних процесів і розрахунок вкладів різних типів взаємодії між частинками в термодинамічні і кінетичні властивості неідеальної плазми і кристалічних бінарних сполук Аналітичне виведення моделі рівняння стану і методики розрахунку кінетичних коефіцієнтів неідеальних невпорядкованих хімічно реагуючих систем, плазми і кристалічних бінарних сполук. Розробка і тестування програмного забезпечення для чисельних розрахунків термодинамічних і кінетичних властивостей неідеальної плазми і кристалічних бінарних сполук Широкодіапазонні чисельні розрахунки термодинамічних і кінетичних властивостей неідеальної хімічно активної плазми і кристалічних бінарних сполук

Head

Mulenko Ivan Oleksiyovich,

Registration Date

08-02-2013

Organization

The Mykolayiv V.O.Sukhomlynsky National University

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Research work is dedicated to the study of the physical processes occurring in the non-ideal chemically-reacting plasma and crystalline lattices of solid-state binary compounds. Research object of this work is the elementary processes in non-ideal multicomponent plasma, thermodynamic, optical and transport properties, phase transitions in non-ideal plasma; electronic properties, zone structure, thermodynamic potentials of the binary compounds, structural phase transitions in solids. The goal of this work was theoretical research and mathematical modeling thermodynamic and kinetic processes in non-ideal chemically active plasma and binary solid compound. Research methods: the method of chemical thermodynamics, kinetic equation method, method of pseudo-potential, density functional method, methods of computer algebra, numerical and analytical methods for solving differential and integral equations. The work takes into account the interparticle interaction of different sorts of charged and neutral particles with chemical reactions, presented a uniform way of averaging of all members in a kinetic equation and interpolation parameter between the weak and strong region of non idealness, was used approximation of instant and long-term effect of random forces, was used fractional occupation numbers for study of band structure and thermodynamic properties of binary compounds. As a result of this work the 2-nd, 3-rd and 4-th the virial coefficients of interaction in the plasma with neutral particles for different potentials and constructed on their basis of the pseudo-potential are calculated. Analytical relations for thermodynamic functions, equations of state and chemical equilibrium equations of multi-component plasma gain. A model of state equation of chemically-reacting plasma with Coulomb and Van der Waals interactions with chemical reactions developed. Cross sections of scattering on electron transport of charged and neutral particles in the plasma with taking into account no ideality of thermodynamic are calculated. A system of analytical calculations of bracket integrals in Boltzmann collision integral developed basing on the methods of computer algebra. The wide-range calculation procedure of electronic kinetic coefficients of non-ideal plasma based on solutions of the Boltzmann kinetic equation developed. The studies on the radiation intensity of harmonic oscillator under random forces in the approximation of instant and long-term effect of random forces were done. Study of influence of parameters of calculation (spreading around the Fermi level, settings determine convergence of the calculations) to changes in band structure, equations of state, phase transitions, etc. was done. Calculation schemas that include the spreading which is associated with fractional occupation numbers of the energy states and the additional terms into energy and pressure in the equation of state proposed. Calculations of the alkaline earth metals were done. Using of obtained parameters for the metals in the calculations of the intermetallic compounds proposed. The wide-range numeric calculations of thermodynamic functions and kinetic coefficients of non-ideal chemically-active plasma and calculations of thermodynamic characteristics of metals and intermetallic compounds were done.

Product Description

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Атаманюк Ігор Петрович
Вижол Юрій Олександрович
Жорова Алла Миколаївна
Козлова Лілія Геннадіївна
Муленко Іван Олексійович
Поживатенко Віталій Володимирович
Чебанова Юлія Петрівна
Шведов Леонід Петрович

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2020-04-02