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In this study, we simulate the radiation-induced phase transition in the binary alloy employing the modified Cahn-Hilliard equation that accounts for the process of radiation-enhanced diffusion, ballistic mixing, and compositional fluctuations. The influence of displacement rate on the dynamics of the average radius, number density, nucleation rate, and volume fraction of the minority phase is discussed. Also, the mechanism of precipitate vanishing under irradiation condition is revealed.
P E L’Vov; Vyacheslav Svetukhin. Phase-field simulation of radiation-induced phase transition in binary alloys. Modelling and Simulation in Materials Science and Engineering 2021, 29, 035013 .
AMA StyleP E L’Vov, Vyacheslav Svetukhin. Phase-field simulation of radiation-induced phase transition in binary alloys. Modelling and Simulation in Materials Science and Engineering. 2021; 29 (3):035013.
Chicago/Turabian StyleP E L’Vov; Vyacheslav Svetukhin. 2021. "Phase-field simulation of radiation-induced phase transition in binary alloys." Modelling and Simulation in Materials Science and Engineering 29, no. 3: 035013.
The phase-field model based on the Cahn-Hilliard equation is employed to simulate lithium intercalation dynamics in a cathode with particles of distributed size. We start with a simplified phase-field model for a single submicron particle under galvanostatic condition. We observe two stages associated with single-phase and double-phase patterns typical for both charging and discharging processes. The single-phase stage takes approximately 10–15% of the process and plays an important role in the intercalation dynamics. We establish the laws for speed of front propagation and evolution of single-phase concentration valid for different sizes of electrode particles and a wide range of temperatures and C-rates. The universality of these laws allows us to formulate the boundary condition with time-dependent flux density for the Cahn-Hilliard equation and analyze the phase-field intercalation in a heterogeneous cathode characterized by the particle size distribution.
Pavel L’Vov; Renat Sibatov. Effect of the Particle Size Distribution on the Cahn-Hilliard Dynamics in a Cathode of Lithium-Ion Batteries. Batteries 2020, 6, 29 .
AMA StylePavel L’Vov, Renat Sibatov. Effect of the Particle Size Distribution on the Cahn-Hilliard Dynamics in a Cathode of Lithium-Ion Batteries. Batteries. 2020; 6 (2):29.
Chicago/Turabian StylePavel L’Vov; Renat Sibatov. 2020. "Effect of the Particle Size Distribution on the Cahn-Hilliard Dynamics in a Cathode of Lithium-Ion Batteries." Batteries 6, no. 2: 29.
The size, form and distribution function of catalyst particles define the quality of synthesized arrays of carbon nanotubes. In this work, we study the kinetics of catalyst particle formation from the thin nickel film (9nm) deposited on the silicon substrate (SiO2/Si) with a buffer layer of niobium nitride at the temperature of 880˚C. In the experiment, we have obtained the time dependences of the average radius, average height and concentration of nickel particles. The experimental data are satisfactorily described by simulations based on the wetting transition theory. Comparison of the simulation results and experimental data allows us to estimate the effective interaction potential between the nickel film and buffer layer of niobium nitride. Besides, we have estimated the viscosity of the nickel confirming an undercooled liquid state of the nanosized nickel film at the temperature of 880˚C.
Pavel L'vov; Sergey Victor Bulyarskiy; Georgy Gusarov; Mikhail Molodenskiy; Alexander Pavlov; Roman M Ryazanov; Alexander Dudin; Vyacheslav Svetukhin. Kinetics of nickel particle formation on silicon substrate with a buffer layer of niobium nitride. Journal of Physics: Condensed Matter 2020, 32, 245001 .
AMA StylePavel L'vov, Sergey Victor Bulyarskiy, Georgy Gusarov, Mikhail Molodenskiy, Alexander Pavlov, Roman M Ryazanov, Alexander Dudin, Vyacheslav Svetukhin. Kinetics of nickel particle formation on silicon substrate with a buffer layer of niobium nitride. Journal of Physics: Condensed Matter. 2020; 32 (24):245001.
Chicago/Turabian StylePavel L'vov; Sergey Victor Bulyarskiy; Georgy Gusarov; Mikhail Molodenskiy; Alexander Pavlov; Roman M Ryazanov; Alexander Dudin; Vyacheslav Svetukhin. 2020. "Kinetics of nickel particle formation on silicon substrate with a buffer layer of niobium nitride." Journal of Physics: Condensed Matter 32, no. 24: 245001.
In this study, the kinetics of vacancy and interstitial formation has been simulated in iron at a temperature of 600 K under irradiation at high radiation defect production rate 6.5·10-3,3.25·10-3,1.63·10-3dpa/s and displacement energies of 10 keV, 15 keV, 20 keV. The reaction-diffusion equations and molecular dynamics simulation of displacement cascades have been combined to calculate the kinetics of radiation defect formation. We have introduced the criterion to estimate homogeneity of distribution of radiation defects in the system. The kinetics of radiation defect formation has been calculated up to doses of ~5·10−5 dpa, whereas stationary values of their concentration are achieved at ~10−5 dpa. It has been shown, that high defect production rate of irradiation causes inhomogeneous distribution of the radiation defects with a finite life-time. Also, we consider the effect of high defect production rate and displacement energy on kinetics of radiation defect formation and the self-diffusion mechanism in iron at the considered temperature.
Pavel L'Vov; Mikhail Tikhonchev. Kinetics of radiation defect formation in iron under high displacement rate irradiation. Results in Physics 2019, 16, 102896 .
AMA StylePavel L'Vov, Mikhail Tikhonchev. Kinetics of radiation defect formation in iron under high displacement rate irradiation. Results in Physics. 2019; 16 ():102896.
Chicago/Turabian StylePavel L'Vov; Mikhail Tikhonchev. 2019. "Kinetics of radiation defect formation in iron under high displacement rate irradiation." Results in Physics 16, no. : 102896.
Based on the hydrodynamic model, the kinetics of wetting phase transitions in nanoscale liquid films on the substrate surface is analyzed. In the range of metastable states, the features of the formation of equilibrium clusters are studied and corresponding film thickness distributions are calculated. In the range of unstable states, the kinetics of the phase transition resulting in cluster formation is analyzed. In the early stage, regions shaped as holes with a film thickness close to the equilibrium one are formed. Hole coalescence leads to a film material redistribution followed by clustering. For this process, the kinetics of the average hole size and concentration is calculated. For formed clusters, the kinetics of the average radius, average height, concentration, and their radius and height distribution function are studied.
P. E. L’Vov; V. V. Svetukhin; S. V. Bulyarskii; A. A. Pavlov. Simulation of Wetting Phase Transitions in Thin Films. Physics of the Solid State 2019, 61, 1872 -1881.
AMA StyleP. E. L’Vov, V. V. Svetukhin, S. V. Bulyarskii, A. A. Pavlov. Simulation of Wetting Phase Transitions in Thin Films. Physics of the Solid State. 2019; 61 (10):1872-1881.
Chicago/Turabian StyleP. E. L’Vov; V. V. Svetukhin; S. V. Bulyarskii; A. A. Pavlov. 2019. "Simulation of Wetting Phase Transitions in Thin Films." Physics of the Solid State 61, no. 10: 1872-1881.
Based on the free energy density functional method (modified Cahn–Hillard–Cook equation), the formation kinetics of secondary phases in binary alloys is considered in the presence of composition fluctuations and with inclusion of the grain boundaries influences. It is revealed that the existence of grain boundaries and the fluctuations at the initial stage of the phase transition can lead to the appearance of anomalous growth rate of the average precipitate size due to a competition of various decomposition mechanisms.
P. E. L’Vov; V. V. Svetukhin. Effect of Fluctuations on the Formation of Secondary Phase Precipitates at Grain Boundaries. Physics of the Solid State 2019, 61, 225 -232.
AMA StyleP. E. L’Vov, V. V. Svetukhin. Effect of Fluctuations on the Formation of Secondary Phase Precipitates at Grain Boundaries. Physics of the Solid State. 2019; 61 (2):225-232.
Chicago/Turabian StyleP. E. L’Vov; V. V. Svetukhin. 2019. "Effect of Fluctuations on the Formation of Secondary Phase Precipitates at Grain Boundaries." Physics of the Solid State 61, no. 2: 225-232.
P E L’Vov; V V Svetukhin. Generalized non-classical nucleation model in binary alloys. Modelling and Simulation in Materials Science and Engineering 2019, 27, 025002 .
AMA StyleP E L’Vov, V V Svetukhin. Generalized non-classical nucleation model in binary alloys. Modelling and Simulation in Materials Science and Engineering. 2019; 27 (2):025002.
Chicago/Turabian StyleP E L’Vov; V V Svetukhin. 2019. "Generalized non-classical nucleation model in binary alloys." Modelling and Simulation in Materials Science and Engineering 27, no. 2: 025002.
Based on the method of the free energy density functional, the effect of grain boundaries on the precipitation process in binary alloys is considered. A comparative analysis of precipitation kinetics has been carried out for a single-crystal fragment of a solid solution and for a fragment containing a part of the boundary between two grains. We have found the influence of grain boundaries on the kinetics of the average radius of precipitates, their concentration, and nucleation rate for several compositions of the alloy.
P. E. L’Vov; V. V. Svetukhin. Precipitation Kinetics in Binary Alloys near Grain Boundaries. Physics of the Solid State 2018, 60, 791 -798.
AMA StyleP. E. L’Vov, V. V. Svetukhin. Precipitation Kinetics in Binary Alloys near Grain Boundaries. Physics of the Solid State. 2018; 60 (4):791-798.
Chicago/Turabian StyleP. E. L’Vov; V. V. Svetukhin. 2018. "Precipitation Kinetics in Binary Alloys near Grain Boundaries." Physics of the Solid State 60, no. 4: 791-798.
P E L’Vov; V V Svetukhin; Pavel L'vov. Stochastic simulation of nucleation in binary alloys. Modelling and Simulation in Materials Science and Engineering 2018, 26, 045001 .
AMA StyleP E L’Vov, V V Svetukhin, Pavel L'vov. Stochastic simulation of nucleation in binary alloys. Modelling and Simulation in Materials Science and Engineering. 2018; 26 (4):045001.
Chicago/Turabian StyleP E L’Vov; V V Svetukhin; Pavel L'vov. 2018. "Stochastic simulation of nucleation in binary alloys." Modelling and Simulation in Materials Science and Engineering 26, no. 4: 045001.
Based on the free-energy density functional method (the Cahn–Hilliard equation), a phenomenological model that describes the influence of grain boundaries on the distribution of components in binary alloys has been developed. The model is built on the assumption of the difference between the interaction parameters of solid solution components in the bulk and at the grain boundary. The difference scheme based on the spectral method is proposed to solve the Cahn-Hilliard equation with interaction parameters depending on coordinates. Depending on the ratio between the interaction parameters in the bulk and at the grain boundary, temperature, and alloy composition, the model can give rise to different types of distribution of a dissolved component, namely, either depletion or enrichment of the grain-boundary area, preferential grainboundary precipitation, competitive precipitation in the bulk and at the grain boundary, etc.
P. E. L’Vov; V. V. Svetukhin. Influence of grain boundaries on the distribution of components in binary alloys. Physics of the Solid State 2017, 59, 2453 -2463.
AMA StyleP. E. L’Vov, V. V. Svetukhin. Influence of grain boundaries on the distribution of components in binary alloys. Physics of the Solid State. 2017; 59 (12):2453-2463.
Chicago/Turabian StyleP. E. L’Vov; V. V. Svetukhin. 2017. "Influence of grain boundaries on the distribution of components in binary alloys." Physics of the Solid State 59, no. 12: 2453-2463.
The first order phase transitions in binary alloys were simulated basing on the Cahn–Hilliard equation for metastable states with mobility depending on the local composition. The simulation was carried out utilizing the semi-implicit Fourier spectral method for 3D fragment of a solid solution satisfying the regular solution approximation. We defined kinetics of the main characteristics of phase distribution: nucleation rate, average size, concentration of precipitates and autocorrelation function etc. Peculiarities of different stages of binary alloy decomposition (nucleation, diffusion growth and coarsening) were analyzed both for constant and variable mobility.
P E L'vov; V V Svetukhin; Pavel L'vov. Simulation of the first order phase transitions in binary alloys with variable mobility. Modelling and Simulation in Materials Science and Engineering 2017, 25, 075006 .
AMA StyleP E L'vov, V V Svetukhin, Pavel L'vov. Simulation of the first order phase transitions in binary alloys with variable mobility. Modelling and Simulation in Materials Science and Engineering. 2017; 25 (7):075006.
Chicago/Turabian StyleP E L'vov; V V Svetukhin; Pavel L'vov. 2017. "Simulation of the first order phase transitions in binary alloys with variable mobility." Modelling and Simulation in Materials Science and Engineering 25, no. 7: 075006.
The simulation of the decomposition of a three-dimensional fragment of a solid solution satisfying the regular solution approximation has been carried out based on the Cahn–Hilliard equation taking into account the Gaussian fluctuations of the initial state of the alloy. The simulation has been performed for several temperatures and revealed the existence of four stages (nucleation, growth, coagulation, and coalescence) of the process. The influence of the temperature on the distribution of phases during the decomposition of binary alloys has been established, and the specific features in the change of stages of the decomposition process have been revealed.
P. E. L’Vov; V. V. Svetukhin. Simulation of the decomposition of binary alloys on the basis of the free energy density functional method. Physics of the Solid State 2017, 59, 355 -361.
AMA StyleP. E. L’Vov, V. V. Svetukhin. Simulation of the decomposition of binary alloys on the basis of the free energy density functional method. Physics of the Solid State. 2017; 59 (2):355-361.
Chicago/Turabian StyleP. E. L’Vov; V. V. Svetukhin. 2017. "Simulation of the decomposition of binary alloys on the basis of the free energy density functional method." Physics of the Solid State 59, no. 2: 355-361.
P. E. L’Vov; V. V. Svetukhin; K. S. Maslov. Modeling of phase decomposition of supersaturated solid solutions using the free-energy density functional method. Technical Physics Letters 2016, 42, 856 -859.
AMA StyleP. E. L’Vov, V. V. Svetukhin, K. S. Maslov. Modeling of phase decomposition of supersaturated solid solutions using the free-energy density functional method. Technical Physics Letters. 2016; 42 (8):856-859.
Chicago/Turabian StyleP. E. L’Vov; V. V. Svetukhin; K. S. Maslov. 2016. "Modeling of phase decomposition of supersaturated solid solutions using the free-energy density functional method." Technical Physics Letters 42, no. 8: 856-859.
P. E. L’Vov; V. V. Svetukhin. Simulation of the early stage of binary alloy decomposition, based on the free energy density functional method. Physics of the Solid State 2016, 58, 1432 -1439.
AMA StyleP. E. L’Vov, V. V. Svetukhin. Simulation of the early stage of binary alloy decomposition, based on the free energy density functional method. Physics of the Solid State. 2016; 58 (7):1432-1439.
Chicago/Turabian StyleP. E. L’Vov; V. V. Svetukhin. 2016. "Simulation of the early stage of binary alloy decomposition, based on the free energy density functional method." Physics of the Solid State 58, no. 7: 1432-1439.
The evolution of spherical clusters in a supersaturated binary alloy in the region of metastable states has been simulated using the Cahn-Hilliard equation. The cases of dissolution, growth, and stationarity of a cluster have been considered. Specific features of the evolution of the concentration profile for the cluster dissolution and growth regimes have been revealed. Approximate expressions for calculating the growth rate of clusters have been obtained.
P. E. L’Vov; V. V. Svetukhin. Simulation of nonclassical nucleation in binary alloys. Physics of the Solid State 2015, 57, 1213 -1222.
AMA StyleP. E. L’Vov, V. V. Svetukhin. Simulation of nonclassical nucleation in binary alloys. Physics of the Solid State. 2015; 57 (6):1213-1222.
Chicago/Turabian StyleP. E. L’Vov; V. V. Svetukhin. 2015. "Simulation of nonclassical nucleation in binary alloys." Physics of the Solid State 57, no. 6: 1213-1222.
A model of phase equilibrium in alloys containing nanoprecipitates of the second phases has been developed taking into account the extension (length) of the interface between the phases. Relationships have been obtained for calculating the dependences of equilibrium compositions of conjugate phases and the width of the transition layer between the phases on the precipitate size. It has been shown using binary alloys as an example that a decrease in the precipitate size leads to a mutual enrichment of the conjugate phases with atoms of the dissolved component (solute) and to a decrease in the width of the transition layer between the phases.
P. E. L’Vov; V. V. Svetukhin. Thermodynamics of the formation of nanoprecipitates of the second phases with an extended interface. Physics of the Solid State 2014, 56, 1889 -1898.
AMA StyleP. E. L’Vov, V. V. Svetukhin. Thermodynamics of the formation of nanoprecipitates of the second phases with an extended interface. Physics of the Solid State. 2014; 56 (9):1889-1898.
Chicago/Turabian StyleP. E. L’Vov; V. V. Svetukhin. 2014. "Thermodynamics of the formation of nanoprecipitates of the second phases with an extended interface." Physics of the Solid State 56, no. 9: 1889-1898.
Based on the theory of regular solutions, the interphase boundary model for the case of an arbitrary number of components is developed. General relations for the calculation of the phase composition of multicomponent solutions containing nano-sized precipitates of the second phase are derived. By the example of binary and ternary solutions, it is shown that a considerable mutual enrichment of the conjugated phases by atoms of components dissolved in them occurs in the case if precipitates of the second phase are characterized by the sizes of the order of several nanometers.
P. E. L’Vov; V. V. Svetukhin. Thermodynamics of the phase equilibrium of multicomponent solid solutions containing nano-sized precipitates of the second phase. Physics of the Solid State 2013, 55, 2374 -2380.
AMA StyleP. E. L’Vov, V. V. Svetukhin. Thermodynamics of the phase equilibrium of multicomponent solid solutions containing nano-sized precipitates of the second phase. Physics of the Solid State. 2013; 55 (11):2374-2380.
Chicago/Turabian StyleP. E. L’Vov; V. V. Svetukhin. 2013. "Thermodynamics of the phase equilibrium of multicomponent solid solutions containing nano-sized precipitates of the second phase." Physics of the Solid State 55, no. 11: 2374-2380.
V. Svetukhin; Pavel L'vov; M. Tikhonchev; E. Gaganidze; N. Krestina. Modeling of chromium nanocluster growth under neutron irradiation. Journal of Nuclear Materials 2013, 442, S624 -S627.
AMA StyleV. Svetukhin, Pavel L'vov, M. Tikhonchev, E. Gaganidze, N. Krestina. Modeling of chromium nanocluster growth under neutron irradiation. Journal of Nuclear Materials. 2013; 442 (1):S624-S627.
Chicago/Turabian StyleV. Svetukhin; Pavel L'vov; M. Tikhonchev; E. Gaganidze; N. Krestina. 2013. "Modeling of chromium nanocluster growth under neutron irradiation." Journal of Nuclear Materials 442, no. 1: S624-S627.
A model has been developed for nucleation and growth of particles of the second phase in alloys based on the Fe-Cr system. It has been assumed that the main mechanisms of change in the distribution of phases in the alloy are the fluctuation activationless nucleation of clusters enriched with chromium and their subsequent growth due to the diffusion of chromium atoms. The model is applied to the description of the growth kinetics of particles of the second phase in the alloy Fe-xCr (x = 14, 16, 18, 20 at %) at the temperature T = 500°C. The obtained values of the diffusion coefficient D Cr = 3.12 × 10−19 cm2/s and the rate of fluctuation nucleation (decomposition) of the clusters τ−1 = 0.868 × 10−3 s−1 are consistent with the data available in the literature.
P. E. L’Vov; V. V. Svetukhin. Influence of composition fluctuations on the formation and growth of clusters in alloys based on the iron-chromium system. Physics of the Solid State 2012, 54, 2285 -2290.
AMA StyleP. E. L’Vov, V. V. Svetukhin. Influence of composition fluctuations on the formation and growth of clusters in alloys based on the iron-chromium system. Physics of the Solid State. 2012; 54 (11):2285-2290.
Chicago/Turabian StyleP. E. L’Vov; V. V. Svetukhin. 2012. "Influence of composition fluctuations on the formation and growth of clusters in alloys based on the iron-chromium system." Physics of the Solid State 54, no. 11: 2285-2290.
The thermodynamic and kinetic models of cluster formation in binary alloys under thermal ageing have been developed in this work. Thermodynamic analysis of Fe–Cr in terms of Gibbs free energy minimization method revealed that the interphase surface energy is one of the main factors determining the cluster composition. The models were applied to describe the Cr nanocluster formation in Fe–20Cr binary alloy under thermal ageing at 773 K. The calculation of energy characteristics of Cr-rich clusters is performed in terms of molecular statics method by using many-body classic potential which describes well complex formation energy curve of Fe–Cr alloy. According to the numerical solution of Fokker–Planck equation the description of the growth kinetics of nanoclusters in Fe–20Cr has been performed. It was shown that the clusters growth may be satisfactorily explained in terms of the diffusion model.
V. Svetukhin; P. L’Vov; E. Gaganidze; M. Tikhonchev; C. Dethloff. Kinetics and thermodynamics of Cr nanocluster formation in Fe–Cr system. Journal of Nuclear Materials 2011, 415, 205 -209.
AMA StyleV. Svetukhin, P. L’Vov, E. Gaganidze, M. Tikhonchev, C. Dethloff. Kinetics and thermodynamics of Cr nanocluster formation in Fe–Cr system. Journal of Nuclear Materials. 2011; 415 (2):205-209.
Chicago/Turabian StyleV. Svetukhin; P. L’Vov; E. Gaganidze; M. Tikhonchev; C. Dethloff. 2011. "Kinetics and thermodynamics of Cr nanocluster formation in Fe–Cr system." Journal of Nuclear Materials 415, no. 2: 205-209.