


Том 125, № 11 (2024)
СТРУКТУРА, ФАЗОВЫЕ ПРЕВРАЩЕНИЯ И ДИФФУЗИЯ
Metastable nanoprecipitates in alloys. Phenomenology and atomistic Simulation
Аннотация
Metastable disperse states arising from decomposition in alloys are of considerable interest and have an important practice-related significance, providing high strength properties. Recently, the stabilization mechanism of disperse states through the formation of a shell enriched in alloying elements has attracted special attention. The paper presents a concise overview of the theoretical concepts pertaining to the formation and stabilization of disperse states in alloys, along with recent findings from first-principles atomistic simulations of Al–Cu–X, Fe–Cu–X, and Al–Sc–Zr alloys, wherein precipitates with a core–shell structure have been observed. Furthermore, the paper addresses the conditions of kinetic and thermodynamic stabilization of precipitates in relation to coalescence processes during annealing.



The effect of nanosecond laser treatment on the structure and hardness of the Zr–1%Nb alloy
Аннотация
Scanning and transmission electron microscopies are used to study the microstructure and phase composition of the surface layer of Zr–1% Nb alloy, which was subjected to treatment by nanosecond laser pulses. During laser treatment, a thin strengthened surface layer with the fine microstructure is found to form. The strengthening of the surface layer no less than 4 μm thick is proved to be due to the formed twin micropackets consisting of martensite nanolamellas and nano-sized ω-Zr phase.



Effect of friction-stir processing on the structure microstructure and properties of a low-alloyed Cu–Cr–Zr alloy
Аннотация
The effect of friction stir processing and subsequent aging on the microstructure and physicomechanical properties of the thermally hardened Cu–0.3% Cr–0.5% Zr alloy has been studied. Plastic deformation under friction stir processing leads to the formation of an ultrafinely grained structure with an average grain size of 0.5 μm, the decomposition of a supersaturated solid solution, and the precipitation of disperse particles in the stir zone. It has been shown that aging is accompanied by the additional precipitation of disperse particles and the development of recovery in the zone of processing. The refinement of a granular structure and the precipitation of particles leads to an increase in the strength properties and electrical conductivity in the stir zone. Aging is accompanied by a surplus increase in conductivity without any significant decrease in strength characteristics. The effect of structural evolution under friction stir processing and aging on the Cu–Cr–Zr alloy properties is discussed.



Hydrogen in BCC-iron alloys: ab initio Simulation
Аннотация
Trapping of hydrogen atoms by defects in the crystal lattice of various iron phases is an important factor in the theoretical description of the mechanisms of hydrogen embrittlement in steels. This paper provides a brief overview of our studies of the interaction of hydrogen with point defects and phase boundaries in BCC-iron alloys using ab initio calculations. The capture of hydrogen atoms by alloying impurities, as well as by vacancies (Va) and vacancy complexes VaHn, grain boundaries (GBs), and the ferrite/cementite interphase boundary, is considered. A hierarchical map of trapping energies associated with common crystal-lattice defects is presented, and the most attractive sites for H traps are identified. The influence of V and Ti alloying impurities on the interaction of H with BCC iron is considered.



Dislocation mechanisms of misfit stress relaxation in crystalline nanoheterostructures
Аннотация
A brief review of theoretical models describing the dislocation mechanisms of misfit stress relaxation in crystalline nanoheterostructures of lower dimension, such as composite nanoparticles, nanowires, and nanolayers is presented. The critical conditions for the appearance of the first misfit dislocations in such nanoheterostructures are determined. The equilibrium distribution density was calculated for the circular prismatic loops of misfit dislocations in core–shell nanowires and proved to be in good agreement with the results of experimental observations. Energy barriers have been found for the nucleation of misfit dislocations in composite nanowires with a core shaped as a rectangular prism and in composite nanolayers with long prismatic inclusions. The lowest barriers are shown to occur upon the emission of partial or perfect dislocation dipoles by the edges of inclusions, depending on the characteristic dimensions of a heterostructure. The directions of further studies in this area were proposed.



Solubility Study of Carbonitrides in Low-Alloy Pipe Steels with Mo and Nb at Heating for Rolling Based on Thermodynamic Calculations
Аннотация
Based on the CALPHAD method, a thermodynamic description of the Fe–Mn–Mo–Nb–Si–Ti–C–N system has been constructed, and the solubility of carbonitrides in austenite has been calculated for API 5L low-alloy low-carbon steels with Mo and Nb. The patterns of influence of alloy composition and temperature on the composition and amount of carbonitride phases, as well as on the concentration of elements in the solid solution have been analyzed.



Atomistic simulation of Specificities of microstructure formation in binary systems
Аннотация
The selection and verification of interatomic interaction models for molecular dynamics simulation of crystallization from a melt is carried out in relation to binary systems with a significant difference in solidus and liquidus temperatures, using the example of Cu–Ni and Mo–Ni alloys. The potentials used were verified based on thermodynamic calculations of equilibrium melting parameters and on available experimental data. The conditions for the formation, characteristics, and features of the evolution of the crystal structure in the course of solidification of binary systems and alloys with a significant difference in the solidus and liquidus temperatures are determined. Large-scale atomistic calculations of the redistribution of components of a Mo–Ni binary alloy in the course of its crystallization from a melt were carried out.



The Microstructural State and Characteristics of the Deformation and Fracture, Energy Dissipation and Accumulation in Deformed Ultrafine-Grained Alloys Based on Titanium, Niobium, and Magnesium for Medical Applications
Аннотация
The results of the study of the microstructure, physical and mechanical characteristics, processes of the energy dissipation and accumulation under tension in technical titanium and in Ti–45Nb, Mg–2.9Y–1.3Nd alloys in the coarse-grained (CG) and ultrafine-grained (UFG) states have been summarized. It has been found that substructural strengthening of ultrafine-grained technical titanium results in a change in deformation and thermal behavior, especially at the initial stage of deformation. It has been found that dispersion strengthening of Ti–45Nb alloy with the ω-phase nanoparticles and Mg24Y5 intermetallics, and of Mg–2.9Y–1.3Nd alloy with the β-, β′-, and β1-phase precipitates reduces the influence of the UFG structure on the patterns of energy accumulation and dissipation under tension at the initial stage of deformation.



Gauge factor of refractory high-entropy alloys
Аннотация
One of the most promising applications of high-entropy alloys (HEAs) is their use as materials for strain gauges. In order to study HEAs in the context of this application, it is necessary to be able to accurately and rapidly measure gauge factor (GF). This paper reports the results of testing and validation of a precision automated system for direct strain gauge testing of metal alloys. The technique has been applied in studies of both known strain-gauge alloys and new HEAs such as TiHfZrTa, TiHfNbTaZr, TiHfNbTa, and TiHfNbZr. It has been demonstrated that the HEAs under investigation display a markedly elevated GF with values ranging from 3.60 to 5.17. This is significantly higher than that observed in conventional materials employed in the fabrication of strain gauges, such as manganin, constantan, and nichrome. Furthermore, the examined HEAs demonstrate a considerable elastic limit, reaching up to 972 MPa. The analysis of the obtained data leads to the hypothesis that the anisotropy of the elastic properties of the material is an essential factor responsible for the high GF.



Atomistic modeling of impurity diffusion in the grain boundary of Σ3(112) in BCC iron
Аннотация
The article presents an atomistic DFT analysis of the diffusion of chromium, nickel, and copper impurity atoms in bcc iron both in the bulk and along the Σ3(112) grain boundary. The contributions of the vacancy and interstitial mechanisms of impurity atom transfer are investigated, and the directions of preferential diffusion are determined. The temperature dependences of the diffusion coefficients are calculated taking into account the presence of the magnetic moment of the solution atoms, as well as the temperature dependence of the magnetization. The temperature dependences of the diffusion coefficients of nonmagnetic chromium and copper impurities in the bulk and along the Σ3(112) grain boundary are similar to the corresponding dependences for the self-diffusion of iron atoms. The dependences of the diffusion coefficients of nickel atoms are characterized by a stronger anisotropy of transfer along the grain boundary in comparison with the considered nonmagnetic impurities.



Influence of Thermomechanical Synthesis Conditions on Phase Composition and Magnetic Structure of Nonequilibrium Au–Co Alloys
Аннотация
The paper presents the results of study of the magnetic structure of nonequilibrium gold–cobalt alloys obtained by high pressure torsion under different thermomechanical conditions in terms of temperature and strain magnitude. X-ray diffraction data analysis by Rietveld method has revealed incomplete dissolution of cobalt after 10 anvil revolutions at 300 K. In contrast, the same shear deformation at 80 K leads to complete dissolution of cobalt, accompanied by the formation of two solid solutions with different cobalt contents. The use of magnetic force microscopy has revealed that specimens subjected to mechanosynthesis at 300 K possess the stripe domain structure that is not observed in specimens after cryo-deformation. Vibrational magnetometry of the synthesized alloys has revealed a decrease in the saturation magnetization with increasing shear strain and decreasing temperature of mechanical alloying.



ПРОЧНОСТЬ И ПЛАСТИЧНОСТЬ
Effect of Grain Size on the Hydrogen-Induced Ductility Loss of a Multicomponent CoCrFeMnNi Alloy
Аннотация
The effect of electrolytic hydrogenation on the mechanical properties and fracture mechanism of the multicomponent Cantor CoCrFeMnNi alloy of different characteristic grain size has been shown. It has been demonstrated that an increase in the density of grain boundaries enhances the resistance of Cantor alloy to hydrogen-induced embrittlement. The primary factors that influence the formation of brittle surface zones during hydrogen charging and subsequent uniaxial tension of hydrogen-charged samples have been identified, and the micromechanisms of their fracture have been elucidated. An increase in grain boundary density impedes the transportation of hydrogen by dislocations during plastic deformation. This is due to the limited free path of dislocations in a fine-grained structure. However, the thickness of the hydrogen-charged layer formed during hydrogen saturation is not significantly affected by the grain size.



Effect of Vanadium Concentration on the Structure and Properties of Ti–V Alloys Subjected to High-Pressure Torsion
Аннотация
The effect of preliminary annealing at 1000°C and subsequent high-pressure torsion (HPT) on the phase composition and mechanical properties of titanium alloys with 2, 4, 6, and 8 wt % V is studied. The increase in the V concentration in the initial alloy leads to an increase in the volume fraction of the β-Ti phase and a decrease in the volume fraction of the ω-Ti phase after HPT. The nanohardness Н and Young’s modulus Е were measured by nanoindentation. After HPT, the values of Н and Е are higher than those observed after preliminary annealing by 44 and 20%, respectively. The nanohardness and Young’s modulus of the studied alloy subjected to HPT are independent on the fraction of second constituent and are Н = 6.2 ± 0.2 GPa and Е = 138 ± 3 GPa, respectively. However, the hardness of the alloys subjected to HPT, which was measured by microindentation, also is independent of the fraction of the second constituent. At the same time, the ultimate strength and Young’s modulus measured by three-point bending technique have significant differences and, as the V concentration increases, decrease from 3.1 to 2.4 GPa and from 204 to 165 GPa, respectively. The decrease correlates with changing the volume fractions of the ω-Ti and β-Ti phases. The correlation between the vanadium content, phase composition, and ultimate strength of alloys subjected to HPT is found experimentally.



Thermophysical Properties of High-Strength Low-Alloyed Pipe Steel
Аннотация
Thermo-mechanical controlled processing (TMCP) of low-carbon low-alloy pipe steels is used to attain the required level of mechanical properties in rolled plates designed for pipe production, thereby ensuring the operational stability and reliability of trunk pipelines. The TMCP involves the hot deformation of austenite followed by accelerated cooling, during which the γ → α-transformation occurs. The technological capabilities of contemporary plate mills permit developing and implementing information systems for the control of steel structure and, consequently, its properties. The reliability and accuracy of such systems can be enhanced by using the correct thermophysical parameters of steels. In the present work the critical temperatures, temperature dependences of heat capacities of main phases, and thermal effects of phase transformations in specimens of 05G2MB (wt % ~ 0.05 C; ≤2.0 Mn; ~ 0.2 Mo; ~ 0.05 Nb) high-strength low-alloyed pipe steel have been determined employing differential scanning calorimetry method, dilatometric analysis, and calculations using Thermo-Calc software. It has been demonstrated that the thermal effect of magnetic transformation exhibits a markedly greater value than that of polymorphic phase transformation.



A multiscale model of creep in steels with account for the microstructure
Аннотация
A multiscale model has been developed to describe the influence of microstructure and alloying element content on the rate of radiation creep in EP823 and EK164 steels. A scheme is proposed for modeling the motion of dislocations and the interaction of dislocations with point defects within the molecular dynamics method, in real alloys containing loops, pores, and precipitates with characteristic sizes and composition determined experimentally. Disordered Fe-based solid solutions of Cr and Cr + Ni corresponding to the specifications of EP 823 and EK 164 steels are used as a matrix. The evolution of the local dislocation density in the grain is calculated using the method of discrete dislocation dynamics, taking into account the dislocation climb and slip. It is shown that the local dislocation density changes with the formation of a microstructure. The distribution of local stresses in the lattice caused by the microstructure is calculated. The creep rate values in FeCr and FeCrNi alloys are calculated taking into account the presence of microstructure. The creep rate values obtained as a result of modeling differ from measured values by 20–50%. Factors limiting the accuracy of the model are revealed, and a modeling algorithm is proposed to improve the accuracy of creep rate prediction.


