No 3-1 (2022)

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Full Issue

Simulation of mechanical and physical properties of a carbon nanotubes bundle under the transverse compression using a chain model with the reduced number of degrees of freedom

Abdullina D.U., Galiakhmetova L.K., Bebikhov Y.V.

Abstract

The paper studies a bundle of oriented carbon nanotubes (CNTs) under the transverse loading under the plane deformation conditions within the framework of a molecular dynamics model with a reduced number of degrees of freedom. The model takes into account CNT wall stretching and bending, as well as van der Waals interactions. Each CNT is represented by a ring of atoms with two degrees of freedom in the plane of the ring. The discrete nature of the model allows describing the large curvature of the CNT wall and the destruction of CNTs at very high pressure. CNT crystal equilibrium structures are obtained under the strain-controlled biaxial loading. Separate CNTs of a sufficiently large diameter have two equilibrium states: with a round and collapsed cross section. Small-diameter CNTs in the free state can only have a circular cross section. The study identified the presence of two phase transitions observed during biaxial compression of a CNT bundle. The first transformation similar to phase transition of the second order leads to ellipticization of CNT cross sections. As a result of the second transition of the first order, bundled CNTs appear in the beam, the proportion of which gradually increases with the increase in compressive strain. The authors calculated beam elasticity constants such as Young’s moduli, shear modulus, and Poisson’s ratios. The study shows that one of the equilibrium structures (with elliptical CNT cross sections) has the property of a partial auxetic, that is, it has a negative Poisson’s ratio under uniaxial loading in a certain direction. The proposed chain model can be effectively applied to analyze physical and mechanical properties of bundles of single-walled or multi-walled CNTs under the plane deformation conditions, and after simple modifications, it can be used to similar structures made of other two-dimensional nanomaterials.

Frontier Materials & Technologies. 2022;(3-1):15-22
pages 15-22 views

Hardening mechanisms contribution at nonmonotonic change of properties in the Cu–0.6Cr–0.1Zr alloy at high pressure torsion

Aksenov D.A., Faizova S.N., Faizov I.A.

Abstract

Phase transformations play an important role in the formation of properties in the dispersion-hardened alloys, for example, such as the Cu–Cr–Zr system alloys. It is known that under severe plastic deformation, the diffusion conditions change significantly, which leads to a change in the phase transformation kinetics. In this work, the authors studied the Cu–0.6Cr–0.1Zr alloy in the low concentration solid solution state subjected to high pressure torsion (up to 10 cycles). In this case, due to the solid solution low concentration and the formed ensemble of large particles, the process of solid solution decomposition was excluded at the first stages. The preliminary work on the analysis of such structurally sensitive characteristics as electrical conductivity and lattice parameter made it possible to identify the nonmonotonic nature of a change in the alloying elements concentration in the solid solution during HPT. Nonmonotonicity is related to the significant changes in the characteristics of the second phase particles ensemble under the influence of high voltages. Such significant structural changes are reflected in the nature of the mechanical characteristics change. The authors identified that when increasing the number of HPT revolutions, changes in strength also have a nonmonotonic nature, which corresponds to the nonmonotonic nature of changes in the concentration of alloying elements and electrical conductivity. Various contributions to the Cu–0.6Cr–0.1Zr alloy hardening were analyzed. The analysis identified that the dispersion strengthening contribution plays the main role in the nonmonotonic change in the mechanical characteristics. The calculated data correlate with the obtained experimental results.

Frontier Materials & Technologies. 2022;(3-1):23-32
pages 23-32 views

Microhardness distribution over the surface of Zr-based metallic glass exposed to high-pressure torsion

Astanin V.V., Gunderov D.V., Titov V.V.

Abstract

Identifying the peculiarities of the transformation of the structure and properties of bulk metallic glass (BMG) under high-pressure torsion (HPT) is of great interest. It is known that under HPT, the degree of deformation differs from the center to the edge of a disk which leads to the non-uniformity of the structure of obtained specimens. The change in microhardness value indicates the direction of change in BMG structure under the HPT, and the microhardness distribution indicates the HPT-specimen non-uniformity. The aim of the study is to identify the HPT influence on the microhardness value and microhardness distribution over the surface of specimens of amorphous alloys using an example of Vit105Zr-based BMG (Zr52.5Cu17.9Ni14.6Al10Ti5). The authors studied the distribution of microhardness over the surface of Vit105 Zr-based bulk metallic glass (BMG) in the initial state, in the state after HPT at n=1 and n=5 rotations, and after relaxing annealing. The study shows that the initial Vit105 BMG is characterized by a small spread in microhardness values, which indicates the material's high homogeneity. By reducing the excessive free volume, relaxing annealing increases microhardness without a significant increase in the spread of its values. HPT leads to a decrease in the zirconium BMG microhardness, which indicates an increase in the excessive free volume, but, at the same time, increases the uneven microhardness distribution over the specimen, while the microhardness values in one half of the HPT sample (n=1) are higher than in the other one. It demonstrates that BMG specimen deformation during HPT is related to the specific loading mechanisms.

Frontier Materials & Technologies. 2022;(3-1):33-40
pages 33-40 views

Roughness and microhardness of UFG Grade 4 titanium under abrasive-free ultrasonic finishing

Asfandiyarov R.N., Raab G.I., Gunderov D.V., Aksenov D.A., Raab A.G., Gunderova S.D., Shishkunova M.A.

Abstract

Increasing the fatigue resistance of implants is an important scientific and technical problem. One of the solutions to this problem is the high-strength state formation due to the ultrafine-grained (UFG) structure. However, high-strength alloys are characterized by greater sensitivity to stress concentrators and the surface roughness parameter. In turn, implant designs, as a rule, imply the presence of concentrators in the form of various grooves, threaded elements, etc., and the manufacturing technology supposes mechanical processing with an ambiguous effect on a finished product surface. The application of additional surface finishing, for example, abrasive-free ultrasonic finishing (AFUF), is a solution to this problem. This work aims to study the effect of different AFUF modes on the microhardness and roughness of a cylindrical blank made of Grade 4 commercially pure titanium in the UFG state. During the study, the authors assessed the effect of the rotation frequency of a workpiece and the static force of pressing the tool against the processed workpiece on the surface parameters; carried out microstructural studies of the obtained samples. The results showed that processing titanium in the UFG state by the AFUF method leads to a significant increase in the surface microhardness and a decrease in its roughness. For example, depending on the mode, the increase in microhardness can reach from 2 to 3.5 times. The authors investigated the effect of a power level of ultrasonic treatment on roughness and microhardness and considered various variants of surface pretreatment. The study identified that an increase in the speed of rotation of a workpiece reduces the roughness of a machined workpiece, while the microhardness increases.

Frontier Materials & Technologies. 2022;(3-1):41-49
pages 41-49 views

The study of the effect of parameters of the mode of copper friction stir welding on the mechanical properties and electrical conductivity of welded joints

Atroshchenko V.V., Selivanov A.S., Lobachev V.S., Logachev Y.V., Sadrislamov A.R.

Abstract

Copper is widely used when producing current-conducting parts, basically the electrotechnical power equipment buses. Traditional ways of welding copper become complicated because of high thermal conductivity, fluidity, significant oxidation at fusing temperature, and susceptibility. The application of the solid-phase welding methods, a prominent representative of which is friction stir welding (FSW), is one of the ways to solve problems when welding copper. The paper presents the experimental study of the influence of a tool working part shape and the welding mode parameters: welding rate, tool rotation frequency, and tool dip angle – on the possibility of the appearance of defects in welded joints of M1 copper plates of 5 mm in thickness produced by FSW. The paper contains the results of mechanical tests on static tension and bending of welded joints with a tunnel defect and without it. Welded joints with a tunnel defect showed a decrease in mechanical properties level: the value of ultimate tensile strength at stretching is lower by 33 %, and the specific elongation is lower by 8 % than ones of a joint without defects. The authors specify some factors influencing the appearance of defects at FSW: the welding rate, tool rotation frequency, tool working part construction, tool dip angle, strength and depth of immersion, pin displacement, blank thickness, and grip conditions. The study identified that the application of a tool with a concave surface taper shoulder allows producing welded joints without external and internal defects. Based on data obtained during the experimental research, the authors determined the welding modes, which makes it possible to produce welded joints with the electrical resistance value at the level of a parent metal: tool rotation frequency is 1250 rpm, welding rate is 25 mm/min, and tool immersion depth is no less than 0.41 mm.

Frontier Materials & Technologies. 2022;(3-1):50-60
pages 50-60 views

Modeling of the dislocation electroplastic effect in a single crystal using the molecular dynamics method

Bryzgalov V.A., Dmitriev S.V., Korznikova E.A., Bebikhov Y.V.

Abstract

The electro-plastic effect is a decrease in the resistance of metal crystals to deformation under the influence of a high-density pulsed electric current. Applying this effect allows deformation processing of relatively brittle metals without a sharp increase in temperature while reducing the probability of temperature negatively affecting the material. The paper discusses the influence of the electro-plastic effect on the change in the deforming force and the dislocations dynamics for a two-dimensional single crystal model based on the molecular dynamics method using the Morse potential. The authors propose a model implementing the electro-plastic effect by increasing the total kinetic energy of the system not uniformly over the entire crystal volume but depending on the potential energy of atoms. It is accepted that as a result of the electric current pulse traveling, the atom’s kinetic energy increases proportionally to the third degree of their potential energy. Atoms near defects have higher potential energy; therefore, the temperature will grow to a greater extent in the areas of defects, increasing their mobility. The authors simulated the motion of dislocations under the influence of shear stresses and temperature, considering the electric current pulse effect on the system. The paper describes the dependence of yield strength on temperature without taking into account the electro-plastic effect and then with it. The authors plotted the graphs of the dependence of the system’s kinetic energy on the frequency and the power of current pulses. The study shows that the electro-plastic effect sharply reduces the yield strength of a crystal, increasing the temperature in the system. It is caused by the fact that, besides general heating, the system is subjected to local heating of atoms near defects, which facilitates their motion.

Frontier Materials & Technologies. 2022;(3-1):61-68
pages 61-68 views

The influence of aging on microhardness and electrical conductivity of Cu–2 wt. % Be alloy

Zaynullina L.I., Sarkeeva E.A., Alexandrov I.V., Valiev R.Z.

Abstract

Goods made of beryllium bronzes got widespread use in the industry due to the complex of properties: high heat conductivity, strength, hardness, wear resistance, and corrosion resistance. They are not magnesium-based and do not spark on impact; therefore, they are essential for the production of non-sparking tools. The alloys of this system are used in the electrical engineering industry; consequently, it is necessary to pay attention to the improvement of the material’s electrical conductivity. The paper studies the microstructure, microhardness, and electrical conductivity of the Cu–2 wt.% Be alloy exposed to high-pressure torsion (HPT). The authors investigated the microstructure and fine structure of the alloy in various states. The study showed that HPT leads to the formation of an ultrafine-grained nanostructured (UFG NS) state with an average size of grains/subgrains of 22±1 mmn. Additional ageing of samples after HPD led to a slight increase in the grains/subgrains size up to 31±1 mmn. In both states, the authors observed nanosized deformation twins. The authors studied the dependences of microhardness and electrical conductivity of the alloy after HPD on the time of further ageing. The study identified that the microhardness increases from 122±3 HV in the initial state up to 525±8 HV after HPD and ageing. The investigation shows that the electrical conductivity substantially better recovers after ageing of the UFG NS state compared to the initial state. The electrical conductivity of the UFG NS state increased from 14.5±0.1 % IACS up to 27.5±0.6 % IACS in conditions similar to the initial state ageing. Therefore, resulting from such processing, the Cu–2 wt.% Be alloy is characterized by its advanced strength properties and electrical conductivity.

Frontier Materials & Technologies. 2022;(3-1):69-75
pages 69-75 views

Simulation of overcoming obstacles in the form of pores by dislocations in tungsten

Kazakov A.M., Sharapova Y.R., Babicheva R.I., Zinovev A.V., Terentyev D.A., Semenov A.S.

Abstract

Tungsten is widely used as a material capable of withstanding working conditions in nuclear reactors and other extreme conditions. Under the influence of irradiation, such defects as Frenkel pairs, pores, and dislocation loops are formed in the metal. Therefore, the research aimed at studying the interactions of these defects with each other and their influence on the mechanical properties of the metal are relevant. The paper presents the theoretical study based on the molecular dynamics method, the purpose of which is to investigate the mechanism of strain hardening of tungsten associated with the interaction of dislocations and pores. The authors solved this problem using the LAMMPS package, carried out the integration of atoms motion equations by the fourth order Verlet method. The model under the study is a single crystal of a certain [111], [–1–12], [1–10] orientation along the basic X, Y, and Z coordinate axis relatively, in which the slip of edge dislocations in the main slip system of BCC metals and their interaction with pores is considered. The authors studied the influence of a pore size on the shear stress magnitude: the growth of pore diameter is proportional to the stress growth. The dependences of shear stress on the shear strain in the temperature range of 600–1400 K are calculated, whereby the temperature change does not significantly influence the stress value. The study shows that dislocations cut the pores and, upon the repeated interaction with a pore, a lower value of peak shear stress is observed than during the first one. The presence of pores leads to the flow stress increase, and such an effect becomes more evident with the increasing pore diameter. The flow stress increases thrice for pores with a diameter of 6 nm compared to the material without pores. The authors described the mechanism of interaction between the edge dislocations and pores under the influence of shear stress.

Frontier Materials & Technologies. 2022;(3-1):76-84
pages 76-84 views

Finite-element simulation of fatigue behavior of a medical implant produced from titanium in the large-grained and nanostructured states

Kapustin A.V., Enikeev N.A.

Abstract

Nowadays, to improve the quality of life, dental implantation is widely used, and ensuring proper functioning and durability of the implantable devices is one of the most crucial tasks for modern-day dentistry. The development of new biomaterials with improved properties, such as nanostructured materials, widens the possibilities of medical goods miniaturization to create new-generation implants. Computer simulation plays a large part when designing these devices, which allows effectively specifying an implant design depending on the materials used and operation conditions. This paper presents the results of modeling using the finite-element method for the comparative analysis of an implant’s deformed behavior within the cyclic load conditions. The authors considered large-grained commercially pure titanium and nanostructured titanium with improved properties as implant material. The authors analyzed various arrangements of an implanted device according to the fatigue testing conditions – considering and not considering the influence of an abutment and the base reaction. The study identified the implant’s characteristics, such as fatigue endurance and safety factor for a specific type of arrangement and material type, as well as the equivalent stress distribution, including taking into account a sign. The research shows that the most realistic results can be achieved when modeling a device in the “abutment – implant – base” arrangement. The study demonstrates that strength characteristics crucial for product destruction are described by the maximum principal stresses, and the studied implant configuration ensures its longstanding proper functioning in the case of its production exceptionally from nanostructured titanium with enhanced properties.

Frontier Materials & Technologies. 2022;(3-1):85-95
pages 85-95 views

The mechanical properties, electrical conductivity, and thermal stability of a wire made of Al–Fe alloys produced by casting into an electromagnetic crystallizer

Medvedev A.E., Zhukova O.O., Fedotova D.D., Murashkin M.Y.

Abstract

The development and production of new aluminum-based materials is a critical task of the up-to-date industry. Particularly, new materials are necessary to produce light, strong, and thermally-stable wires and cables for household usage, transport, and power sphere. The paper presents the results of the study of the microstructure and physical and mechanical properties of Al–0.5Fe and Al–1.7Fe alloys (wt. %), produced by continuous casting into an electromagnetic crystallizer (EMC). The authors carried out a comparative analysis of alloys under the study and commercial alloys. During this analysis, the authors produced a wire with the diameter of 3 mm from the primary cast blanks by the cold drawing method (CD). The microstructure analysis showed that as a result of casting into an electromagnetic crystallizer, the particles of metastable modification Al2Fe phase appear during the crystallization process that have sizes close to the nanometric range. The use of the cold drawing method led to the substructure formation in both alloys and the refinement of intermetallic particles, which ensured the significant hardening of alloy specimens. After cold drawing, the intermetallic particles were grinded and distributed along the boundaries of grains/sub-grains. The ultimate tensile strength of the Al–0.5Fe alloy was 204 MPa, while in the Al–1.7Fe alloy, it reached 295 MPa. The electrical conductivity level of the Al–0.5Fe and Al–1.7Fe alloys wire was 58.4 and 52.0 % IACS, respectively. The study showed that the Al–Fe alloys wire with ferrum concentration of up to 1.7 wt. % demonstrated thermal stability at the level of thermally-stable Al–Zr and Al–REM conductive alloys.

Frontier Materials & Technologies. 2022;(3-1):96-105
pages 96-105 views

On the compatibility of surgical implants of bioresorbable magnesium alloys with medical devices of titanium alloys

Myagkikh P.N., Merson E.D., Poluyanov V.A., Merson D.L., Begun M.E.

Abstract

Self-resorbable implants made of magnesium alloys, unlike the traditional implants made of titanium alloys and stainless steels, have the ability to completely dissolve in the human body, which makes it possible to eliminate the need for a recurrent operation to extract them. The issue of the possibility of using magnesium implants in the combination with products made of titanium alloys remains insufficiently studied at the moment. At the same time, it is widely known that the elements such as titanium and iron, with a potential more positive than magnesium, have a disastrous influence on the corrosion of magnesium alloys, since magnesium dissolves much faster due to the galvanic effect. This work is aimed to determine how the distance to a titanium implant affects the corrosion rate of a ZX10 magnesium alloy sample with an ultra-fine grain structure. As it is an issue of medical application, the authors carried out the corrosion tests within the conditions simulating the human body conditions: the corrosion medium circulation and keeping temperature within 37±1 °C. The authors used physiological solution as a corrosion medium. During corrosion testing, a titanium implant was placed in three, six, and twelve centimeters from the magnesium alloy sample; and the control tests were also carried out without a titanium implant. According to the obtained data, at a distance of 3 cm, the galvanic effect between titanium and magnesium manifests itself strongly, increasing the corrosion rate and the size of corrosion damage, but at a distance of 6 cm, the titanium implant does not have a visible effect on the corrosion of a sample.

Frontier Materials & Technologies. 2022;(3-1):106-114
pages 106-114 views

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