Browsing by Author "Kraiev, Maksym"
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Item Calculation of Energy and Magnetic Susceptibility of Fe Atomic System During Dislocation Motion in Magnetic Field(Emerald Group Publishing Ltd, United Kingdom, 2021) Kraiev, Maksym; Voronkov, Eugene; Kraieva, VioletaENG: Purpose – The purpose is to calculate the change in the total energy of a small fragment of an idealized lattice of iron (in its pure form and with impurity atoms) containing an edge dislocation during its elementary motion at one interatomic spacing, both under the influence of a constant magnetic field and without it. The introduction of a magnetic field into the system is aimed at checking the adequacy of the description of the phenomenon of magnetoplasticity by changing the total energy of the atomic system. Design/methodology/approach – The design procedure is based on a quantum-mechanical description of the switching process of the covalent bond of atoms in the dislocation core. The authors used the method of density functional theory in the Kohn-Shem version, implemented in the GAUSSIAN 09 software package. Using the perturbation theory, the authors modeled the impact of an external constant magnetic field on the energy of a system of lattice atoms. Findings – The simulation results confirmed the effect of an external constant magnetic field on the switching energy of the covalent bond of atoms in the dislocation core, and also a change in the magnetic susceptibility of a system of atoms with a dislocation. This complements the description of the magnetoplastic effect during the deformation of metals. Originality/value – The authors created quantum-mechanical models of the dislocation motion in the Fe crystal lattice: without impurities, with a substitutional atom Cr and with an interstitial atom C. The models take into account the influence of an external constant magnetic field.Item Logarithmic Wave-Mechanical Effects in Polycrystalline Metals: Theory and Experiment(Springer-Verlag, 2021) Kraiev, Maksym; Domina, Kateryna; Kraieva, Violeta; Zloshchastiev, Konstantin G.EN: Schro¨dinger-type wave equations with logarithmic nonlinearity occur in hydrodynamic models of Kortewegtype materials with capillarity and surface tension, which can undergo liquid–solid or liquid–gas phase transitions. One of the predictions of the theory is a periodic pattern of density inhomogeneities occurring in the form of either bubbles (topological phase), or cells (non-topological phase). Such inhomogeneities are described by solitonic solutions of a logarithmic wave equation, gaussons and kinks, in the vicinity of the liquid–solid phase transition. During the solidification process, these inhomogeneities become centers of nucleation, thus shaping the polycrystalline structure of the metal grains. The theory predicts a Gaussian profile of material density inside such a cell, which should manifest in a Gaussian-like profile of microhardness inside a grain. We report experimental evidence of large-scale periodicity in the structure of grains in the ferrite steel S235/A570, copper C-Cu/C14200, austenite in steel X10CrNiTi18-10/AISI 321, and aluminum–magnesium alloy 5083/5056; and also Gaussian-like profiles of microhardness inside an averaged grain in these materials.Item Multi-Component Nitrated Ion-Plasma Ni-Cr Coating(Oles Honchar Dnipro National University, Dnipro, 2021) Nadtoka, V.; Kraiev, Maksym; Borisenko, A.; Kraieva, VioletaENG: Method for ion-plasma deposition is applied for covering of heat-resistant Ni-Cr alloy XH78T. Coating deposition is performed under nitrogen gas atmosphere at the pressure from 3×10-5 to 1×10-2 Torr. The nitrogen content in the coating is reached up to 2,7 %. Nitrated coatings with a thickness of 184-222 μm is obtained without embrittlement and with a uniform distribution of microhardness. The effect of the nitrogen pressure in a vacuum chamber on the structure of the coatings, which changes from homogeneous to columnar with conical crystallites, is presented. Nitration increases microhardness of the coatings from 3669 to 7575 HV, the wear resistance of the coatings increases by 6-8 times. The received coatings can be used to increase the durability of metallurgical equipment parts.