Papers by Author: Andriy Gusak

Abstract: The Ostwald ripening of a two-phase binary alloy has been considered for case of “large” volume fraction of precipitating phase. The approach is proposed in which the composition fluctuations into the vicinity of particles are considered. In this approach the evolution of particle size distributions is analyzed using the computer simulation.

Abstract: Since 1975 a so-called anomalous mass-transfer in metals and alloys under pulse loading is being investigated in the Institute of Metal Physics. This phenomenon remains to be a challenge to theoreticians. Besides, one more phenomenon (observed at the same systems) was discovered – formation of metastable alloys (solutions, and, sometimes, ordered phases), with solubility limits far exceeding the equilibrium values and depending on the deformation rate. Since formation of nonequilibrium phases is also typical for alloys under irradiation, it seemed natural for us to use some of concepts and models invented in the “materials under irradiation” community. We propose 3 types of models for description of metastable solid solution formation in diffusion couple under pulse loading: 1) flux balance for both components at the interface with account of non-equilibrium defects generated during pulse loading; 2) “ballistic jump” concept, which had been invented by George Martin et al. for materials under irradiation or ball-milling, combined with another Martin’s kinetic model (1994) of diffusion; 3) modification of such a concept for the case of non-equilibrium interstitial defects. Non-equilibrium phase diagrams obtained by all 3 models are built and compared with experimental data which reflect a qualitative correspondence to one another.

Abstract: Lateral growth of intermediate phase during reactive diffusion was analyzed. Proposed model is based on the assumption that the main driving force of the lateral growth process is the chemical one (proportional to composition gradient along the interface). Asymmetric case of phase formation taking into account the curvature of all three interfaces at the triple joint is considered.

Abstract: The influence of nonequilibrium vacancy distribution, generated by a difference of intrinsic fluxes of components under limited efficiency of vacancy sinks/sources, on various diffusion processes, is analyzed. Interdiffusion, reactive diffusion, reactive phase growth under electric current, spinodal decomposition, collapse of compound nanoshells, ripening are considered.

Abstract: A model of alloying in the three-layer thin-film system at the low temperature is constructed. Solid solution formation takes place as a result of the diffusion-induced grain boundary migration (DIGM). The unknown parameters are determined from the set of the equations for: (1) grain boundary diffusion along the moving planar phase boundary; (2) the entropy balance in the region of the phase transformation moving with constant velocity; (3) the maximum rate of the free energy release. We consider the model system with complete solubility of the components. The main parameters are self-consistently determined using thermodynamic and kinetic description in the frame of the regular solution model. The model allows determining the concentration distribution along the planar moving phase boundary, its velocity, the thickness of the forming solid solution layer and the limiting average concentration in this layer.

Abstract: The 3D Monte Carlo scheme is proposed for simulation of simultaneous self-consistent current redistribution, surface diffusion, drift and void migration and coalescence at the interface metal/dielectric. Results of simulation as well as simple phenomenological model demonstrate a possibility of trapping at and migration along the grainboundaries (GBs). Critical size of “detrapping” after coalescence has been estimated.

Abstract: The growth of non-stoichiometric particles of an intermediate ternary phase during the decomposition of a weakly supersaturated solution is considered. A mathematical model which describes a non-parabolic growth of precipitates and concentrations tending to asymptotic value at long times is suggested. Shape instability during the growth of the stoichiometric ternary phase based on one of the components in the supersaturated solution is investigated.

Abstract: Pulse loading of diffusion couples leads to the formation of the broad metastable solid solutions. Under higher temperatures, combined with high deformation rates, intermetallics also can form. Possible mechanisms of this phenomenon are discussed. Formation of nanostructure under uniaxial compression/decompression (observed in MD simulations) seems to be one of the possibilities.

Abstract: The initial stages of reactive diffusion have been studied by Monte-Carlo simulations. New MC-scheme describing the competition of two ordered intermediate phases is proposed. Main peculiarity of presented MC-model is a strong dependence of interatomic interaction energies on the local atomic surrounding, enabling us to distinguish new phases more distinctly.