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Information × Registration Number 0224U033431, (0124U002074) , R & D reports Title Dynamic structure features of disordered systems: theory and ab initio modeling popup.stage_title Комп'ютерне моделювання невпорядкованих систем. Розрахунок динамічних характеристик. Head Demchuk Taras V., Доктор філософії Registration Date 27-12-2024 Organization Institute of Condensed Matter Physics of the National Academy of Sciences of Ukraine popup.description1 The aim of this work is to develop approaches that provide complementation of analytical descriptions of the dynamics of disordered systems and the results of computer experiments. The microscopic description of the system dynamics obtained from the computer experiment will allow for a deeper understanding of transport processes inherent to each individual system and enhance the analytical description. Moreover, the application of theoretical expressions to analyze the results of the computer experiment will enable a quantitative assessment of the dynamical features and their dependencies. popup.description2 This work contains a study of the dynamic features of disordered systems, as well as the development of approaches that will allow for the complementarity of analytical approaches to the description of the dynamics of disordered systems and the results of a computer experiment. The collective dynamics of molten iron under high-pressure conditions was studied using the generalized collective mode method, and the contributions of fluctuations of hydrodynamic and non-hydrodynamic variables to propagating and relaxation collective modes were calculated. The study of the transverse dynamics of the Kob-Andersen binary fluid model with different mass ratios of components showed that with an increase in the mass ratio of the components, the width of shear waves propagation gap increases significantly. A study of the single-particle dynamics of a hydrogen molecular fluid was carried out with the analysis of the contributions of translational, rotational and normal vibrations. Two-time Green's functions in the Kondo-Yamaji approximation were found for the antiferromagnetic Heisenberg model on the planar pyrochlore-lattice, and a self-consistent system of equations for the correlation functions and the vertex parameter was obtained.  Product Description popup.authors Ilenkov Illia-Mykola A. Hutak Taras I. Kopcha Mariia I. popup.nrat_date 2024-12-27 Close