In situ crystal lattice analysis of nitride single-component and multilayer ZrN/CrN coatings in the process of thermal cycling

Vol. 25 No. 4 2023 3 EDITORIAL COUNCIL EDITORIAL BOARD EDITOR-IN-CHIEF: Anatoliy A. Bataev, D.Sc. (Engineering), Professor, Rector, Novosibirsk State Technical University, Novosibirsk, Russian Federation DEPUTIES EDITOR-IN-CHIEF: Vladimir V. Ivancivsky, D.Sc. (Engineering), Associate Professor, Department of Industrial Machinery Design, Novosibirsk State Technical University, Novosibirsk, Russian Federation Vadim Y. Skeeba, Ph.D. (Engineering), Associate Professor, Department of Industrial Machinery Design, Novosibirsk State Technical University, Novosibirsk, Russian Federation Editor of the English translation: Elena A. Lozhkina, Ph.D. (Engineering), Department of Material Science in Mechanical Engineering, Novosibirsk State Technical University, Novosibirsk, Russian Federation The journal is issued since 1999 Publication frequency – 4 numbers a year Data on the journal are published in «Ulrich's Periodical Directory» Journal “Obrabotka Metallov” (“Metal Working and Material Science”) has been Indexed in Clarivate Analytics Services. Novosibirsk State Technical University, Prospekt K. Marksa, 20, Novosibirsk, 630073, Russia Tel.: +7 (383) 346-17-75 http://journals.nstu.ru/obrabotka_metallov E-mail: metal_working@mail.ru; metal_working@corp.nstu.ru Journal “Obrabotka Metallov – Metal Working and Material Science” is indexed in the world's largest abstracting bibliographic and scientometric databases Web of Science and Scopus. Journal “Obrabotka Metallov” (“Metal Working & Material Science”) has entered into an electronic licensing relationship with EBSCO Publishing, the world's leading aggregator of full text journals, magazines and eBooks. The full text of JOURNAL can be found in the EBSCOhost™ databases.

OBRABOTKAMETALLOV Vol. 25 No. 4 2023 4 EDITORIAL COUNCIL EDITORIAL COUNCIL CHAIRMAN: Nikolai V. Pustovoy, D.Sc. (Engineering), Professor, President, Novosibirsk State Technical University, Novosibirsk, Russian Federation MEMBERS: The Federative Republic of Brazil: Alberto Moreira Jorge Junior, Dr.-Ing., Full Professor; Federal University of São Carlos, São Carlos The Federal Republic of Germany: Moniko Greif, Dr.-Ing., Professor, Hochschule RheinMain University of Applied Sciences, Russelsheim Florian Nürnberger, Dr.-Ing., Chief Engineer and Head of the Department “Technology of Materials”, Leibniz Universität Hannover, Garbsen; Thomas Hassel, Dr.-Ing., Head of Underwater Technology Center Hanover, Leibniz Universität Hannover, Garbsen The Spain: Andrey L. Chuvilin, Ph.D. (Physics and Mathematics), Ikerbasque Research Professor, Head of Electron Microscopy Laboratory “CIC nanoGUNE”, San Sebastian The Republic of Belarus: Fyodor I. Panteleenko, D.Sc. (Engineering), Professor, First Vice-Rector, Corresponding Member of National Academy of Sciences of Belarus, Belarusian National Technical University, Minsk The Ukraine: Sergiy V. Kovalevskyy, D.Sc. (Engineering), Professor, Vice Rector for Research and Academic Aff airs, Donbass State Engineering Academy, Kramatorsk The Russian Federation: Vladimir G. Atapin, D.Sc. (Engineering), Professor, Novosibirsk State Technical University, Novosibirsk; Victor P. Balkov, Deputy general director, Research and Development Tooling Institute “VNIIINSTRUMENT”, Moscow; Vladimir A. Bataev, D.Sc. (Engineering), Professor, Novosibirsk State Technical University, Novosibirsk; Vladimir G. Burov, D.Sc. (Engineering), Professor, Novosibirsk State Technical University, Novosibirsk; Aleksandr N. Korotkov, D.Sc. (Engineering), Professor, Kuzbass State Technical University, Kemerovo; Dmitry V. Lobanov, D.Sc. (Engineering), Associate Professor, I.N. Ulianov Chuvash State University, Cheboksary; Aleksey V. Makarov, D.Sc. (Engineering), Corresponding Member of RAS, Head of division, Head of laboratory (Laboratory of Mechanical Properties) M.N. Miheev Institute of Metal Physics, Russian Academy of Sciences (Ural Branch), Yekaterinburg; Aleksandr G. Ovcharenko, D.Sc. (Engineering), Professor, Biysk Technological Institute, Biysk; Yuriy N. Saraev, D.Sc. (Engineering), Professor, Institute of Strength Physics and Materials Science, Russian Academy of Sciences (Siberian Branch), Tomsk; Alexander S. Yanyushkin, D.Sc. (Engineering), Professor, I.N. Ulianov Chuvash State University, Cheboksary

Vol. 25 No. 4 2023 5 CONTENTS OBRABOTKAMETALLOV TECHNOLOGY Akintseva A.V., Pereverzev P.P. Modeling the interrelation of the cutting force with the cutting depth and the volumes of the metal being removed by single grains in fl at grinding........................................................................................................................................ 6 Sharma S.S., Joshi A., Rajpoot Y.S. A systematic review of processing techniques for cellular metallic foam production................. 22 Karlina Yu.I., Kononenko R.V., Ivantsivsky V.V., Popov M.A., Deryugin F.F., Byankin V.E. Review of modern requirements for welding of pipe high-strength low-alloy steels.......................................................................................................................................... 36 Startsev E.A., Bakhmatov P.V. The infl uence of automatic arc welding modes on the geometric parameters of the seam of butt joints made of low-carbon steel, made using experimental fl ux......................................................................................................................... 61 Martyushev N.V., Kozlov V.N., Qi M., Baginskiy A.G., Han Z., Bovkun A.S. Milling martensitic steel blanks obtained using additive technologies................................................................................................................................................................................ 74 Loginov Yu.N., Zamaraeva Yu.V. Evaluation of the bars’ multichannel angular pressing scheme and its potential application in practice................................................................................................................................................................................................... 90 EQUIPMENT. INSTRUMENTS Rajpoot Y.S., SharmaA.K., Mishra V.N., Saxena K., Deepak D., Sharma S.S. Eff ect of tool pin profi le on the tensile characteristics of friction stir welded joints of AA8011.................................................................................................................................................... 105 Chinchanikar S., Gadge M.G. Performance modeling and multi-objective optimization during turning AISI 304 stainless steel using coated and coated-microblasted tools........................................................................................................................................................ 117 Ghule G.S., Sanap S., Chinchanikar S. Ultrasonic vibration-assisted hard turning of AISI 52100 steel: comparative evaluation and modeling using dimensional analysis........................................................................................................................................................ 136 Pivkin P.M., Ershov A.A., Mironov N.E., Nadykto A.B. Infl uence of the shape of the toroidal fl ank surface on the cutting wedge angles and mechanical stresses along the drill cutting edge...................................................................................................................... 151 MATERIAL SCIENCE Sokolov R.A., Muratov K.R., Venediktov A.N., Mamadaliev R.A. Infl uence of internal stresses on the intensity of corrosion processes in structural steel....................................................................................................................................................................... 167 Klimenov V.A., Kolubaev E.A., Han Z., Chumaevskii A.V., Dvilis E.S., Strelkova I.L., Drobyaz E.A., Yaremenko O.B., Kuranov A.E. Elastic modulus and hardness of Ti alloy obtained by wire-feed electron-beam additive manufacturing................... 180 Vorontsov A.V., Filippov A.V., Shamarin N.N., Moskvichev E.N., Novitskaya O.S., Knyazhev E.O., Denisova Yu.A., Leonov A.A., Denisov V.V. In situ crystal lattice analysis of nitride single-component and multilayer ZrN/CrN coatings in the process of thermal cycling.......................................................................................................................................................................................... 202 Rubtsov V.E., Panfi lov A.O., Kniazhev E.O., Nikolaeva A.V., Cheremnov A.M., Gusarova A.V., Beloborodov V.A., Chumaevskii A.V., Grinenko A.V., Kolubaev E.A. Infl uence of high-energy impact during plasma cutting on the structure and properties of surface layers of aluminum and titanium alloys................................................................................................................... 216 Bobylyov E.E., Storojenko I.D., Matorin A.A., Marchenko V.D. Features of the formation of Ni-Cr coatings obtained by diff usion alloying from low-melting liquid metal solutions..................................................................................................................................... 232 Burkov А.А., Konevtsov L.А., Dvornik М.И., Nikolenko S.V., Kulik M.A. Formation and investigation of the properties of FeWCrMoBC metallic glass coatings on carbon steel.......................................................................................................................... 244 Sharma S.S., Khatri R., Joshi A. A synergistic approach to the development of lightweight aluminium-based porous metallic foam using stir casting method........................................................................................................................................................................... 255 Strokach E.A., Kozhevnikov G.D., Pozhidaev A.A., Dobrovolsky S.V. Numerical study of titanium alloy high-velocity solid particle erosion.......................................................................................................................................................................................... 268 EDITORIALMATERIALS 284 FOUNDERS MATERIALS 295 CONTENTS

OBRABOTKAMETALLOV MATERIAL SCIENCE Vol. 25 No. 4 2023 In situ crystal lattice analysis of nitride single-component and multilayer ZrN/CrN coatings in the process of thermal cycling Andrey Vorontsov 1, a, Andrey Filippov 1, b,*, Nikolay Shamarin 1, c, Evgeny Moskvichev 1, d, Olga Novitskaya 1, e, Evgeny Knyazhev 1, f, Yulia Denisova 2, g, Andrey Leonov 2, h, Vladimir Denisov 2, i 1 Institute of Strenght Physics and Materials Sciences SB RAS, 2/4 per. Academicheskii, Tomsk, 634055, Russian Federation 2 Institute of High Current Electronics SB RAS, 2/3 per. Academicheskii, Tomsk, 634055, Russian Federation a https://orcid.org/0000-0002-4334-7616, vav@ispms.ru; b https://orcid.org/0000-0003-0487-8382, andrey.v.filippov@yandex.ru; c https://orcid.org/0000-0002-4649-6465, shnn@ispms.ru; d https://orcid.org/0000-0002-9139-0846, em_tsu@mail.ru; e https://orcid.org/0000-0003-1043-4489, nos@ispms.tsc.ru; f https://orcid.org/0000-0002-1984-9720, zhenya4825@gmail.com; g https://orcid.org/0000-0002-3069-1434, yukolubaeva@mail.ru; h https://orcid.org/0000-0001-6645-3879, laa-91@yandex.ru; i https://orcid.org/0000-0002-5446-2337, volodyadenisov@yandex.ru Obrabotka metallov - Metal Working and Material Science Journal homepage: http://journals.nstu.ru/obrabotka_metallov Obrabotka metallov (tekhnologiya, oborudovanie, instrumenty) = Metal Working and Material Science. 2023 vol. 25 no. 4 pp. 202–215 ISSN: 1994-6309 (print) / 2541-819X (online) DOI: 10.17212/1994-6309-2023-25.4-202-215 ART I CLE I NFO Article history: Received: 20 September 2023 Revised: 26 September 2023 Accepted: 11 October 2023 Available online: 15 December 2023 Keywords: Coating Nitrides Phase composition RSA CTE Stresses Funding The work was carried out with the financial support of the Russian Federation represented by the Ministry of Science and Higher Education (project No. 075-15-2021-1348) within the framework of event No. 1.1.16. Acknowledgements Research were partially conducted at core facility “Structure, mechanical and physical properties of materials”. ABSTRACT Introduction. Thermal expansion is an important thermal and physical characteristic of materials, showing its expansion when heated. Knowing this property is important both from a scientific point of view and for practical applications. Materials with low thermal expansion are widely used in electronics, thermal barrier coatings and other applications. Mismatch in thermal expansion between different materials can lead to thermal stress on contact surfaces. The in-situ synchrotron X-ray diffraction method can detect this mismatch. Thermal stress requires an analysis of the coefficient of thermal expansion. Bulk expansion behavior is observed in thermally sprayed coatings. The CTE is important for designing and predicting coating performance under thermal stresses. Changes in the KTE can cause cracking and degradation of the coating. In-situ X-ray diffraction analysis helps to understand thermal expansion, crystallite size and stress and strain variation with temperature change. The aim of this work is to interpret and use in-situ high temperature X-ray diffraction as an effective tool to study the thermal mismatch behavior of a W-Co alloy substrate (8 % w/w Co, WC – matrix) with CrN, ZrN and CrZrN multilayer coatings and the characteristic differences between single component coatings and its combination in a multilayer coating. Research Methodology. In this work, specimens of chromium and zirconium nitride coatings deposited on W-Co hard alloy substrates were investigated. The fundamental method in this work is in-situ analysis using synchrotron radiation. The lattice parameter as a function of cycling temperature, the coefficient of thermal expansion during heating and cooling, and the thermal expansion mismatch between the substrate-coating pair and the coating layers in the multilayer coating were evaluated. Results and discussion. The lattice parameters and thermal expansion of the coatings are investigated. The lattice parameter of all coatings decreased during thermal cycling, indicating nitrogen evaporation. The multilayer coating has the least change in the parameter, possibly due to diffusion barriers. Lattice distortions do not differ between single and multilayer coatings. All coatings exhibit thermal expansion similar to the substrate. The multilayer coating creates conditions for compressive stresses in one phase and tensile stresses in the other phase, so the lifetime of multilayer coatings is expected to be high. For citation: VorontsovA.V., FilippovA.V., Shamarin N.N., Moskvichev E.N., Novitskaya O.S., Knyazhev E.O., DenisovaYu.A., LeonovA.A., Denisov V.V. In situ crystal lattice analysis of nitride single-component and multilayer ZrN/CrN coatings in the process of thermal cycling. Obrabotka metallov (tekhnologiya, oborudovanie, instrumenty) = Metal Working and Material Science, 2023, vol. 25, no. 4, pp. 202–215. DOI: 10.17212/1994-6309-2023-25.4-202-215. (In Russian). ______ * Corresponding author Vorontsov Andrey V., Ph.D. (Engineering), Junior researcher Institute of Strenght Physics and Materials Sciences SB RAS, 2/4 per. Academicheskii, 634055, Tomsk, Russian Federation Tel.: +7 (983) 239-34-17, e-mail: vav@ispms.ru

OBRABOTKAMETALLOV MATERIAL SCIENCE Vol. 25 No. 4 2023 Introduction Thermal expansion is an important thermal and physical property of materials, indicating the degree of materials’ extension upon heating. Knowledge of thermal expansion is of great interest not only from a scientific, but also from a practical point of view [1]. In assessing the potential uses of a material, thermal expansion becomes increasingly important in the production of parts and structures. Materials with low thermal expansion are widely used in electronic devices, thermal barrier coatings, precision equipment materials, thermal engine components, etc. [2]. In certain systems or composite materials, it is necessary to eliminate or even avoid thermal expansion mismatches between different materials, which can lead to the accumulation of thermal stress on the contact surfaces [3]. Thermal mismatch between the coating and substrate or between layers of a multilayer coating predominates during coating surfacing or heat treatment. Therefore, the resulting thermal stresses require a detailed analysis of the coefficient of thermal expansion (CTE) [4]. Oxide formation, residual stresses, and interfaces are characteristics of coatings caused by the thermal spraying process. Since volumetric expansion behavior is usually observed in thermally sprayed coatings, determining the correct CTE values is critical for designing and predicting coating characteristics under thermal loads [5]. Spray process parameters influence thermal expansion due to phase changes caused by oxidation, formation of compounds, etc. Thermal stresses arise from differences in CTE between the coating and substrate, and also arise as a result of the occurrence of a temperature gradient during the prolonged spraying process [6, 7]. It is also known that deformations due to thermal mismatch greatly affect the strength of component-coating bonding and the service life of thermal fatigue [8]. The coefficient of thermal expansion (CTE) quantitatively determines the expansion and contraction of a material due to temperature changes. The CTE of both the substrate and the coating strongly influences the adhesion strength of the coating. Significant changes in CTE can lead to deformation mismatch, causing cracks and degradation of the coating as a whole [9, 10]. The differences in thermal expansion coefficients at the interface result in a change in the local volume at the interface [11]. For example, in a coating on a Nibased superalloy, the deformation mismatch between the coating and the substrate creates internal stresses in the coating, leading to damage to the coating interface layers [6]. In-situ X-ray diffraction analysis is a reliable tool for assessing temperature-dependent properties of substrates and coatings. It helps to understand thermal expansion, crystallite size, grain growth, and changes in stress and strain with temperature variations [12, 13]. Based on the literature cited, it can be stated that volumetric expansion and lattice distortion can induce internal stresses in the parent material. Therefore, to detect material mismatch processes in terms of thermophysical parameters, the use of in-situ synchrotron X-ray diffraction is appropriate [14]. The full-width at half-maximum (FWHM) of X-ray reflections can reflect the evolution of internal stress under thermal loading [15, 16]. For example, changes in interplanar spacing due to thermal expansion are associated with a specific crystallographic orientation, while peak broadening occurs when lattice defects are present in a sufficiently large amount within the scattering volume, as well as in the presence of micro-stresses. As a result of thermal deformation mismatch, local residual stresses are generated, varying from grain to grain. The presence of grain-dependent lattice deformation along a crystallographic direction implies the existence of a distribution of interplanar distances (with a certain width Δdhkl) around a given “average” interplanar distance (dhkl) [17]. Sometimes, it is assumed that the intergranular stress state is constant and can, therefore, it can be ignored in the analysis. However, this assumption is often not valid [18]. The deformation of each grain depends on its orientation as well as the orientation of neighboring grains. If a grain is relatively “stiff” in a particular direction, the thermal stress in that direction induces plastic deformation in the “softer” surrounding grain. As a result, the deformation varies from grain to grain by an average magnitude, and the rate of stress decreases. The aim of this study is to interpret and utilize in-situ high-temperature X-ray diffraction as an effective tool for investigating the behavior of thermal mismatch between the substrate of VK8 alloy (92 % WC-8 % Co) and coatings of CrN, ZrN, and multilayer coating of CrZrN, as well as the characteristic

OBRABOTKAMETALLOV MATERIAL SCIENCE Vol. 25 No. 4 2023 differences between single-component coatings and its combination in the multilayer coating. The evaluation of the crystal lattice parameter in the coatings and substrate, as well as its change during thermal cycling, was performed. The combination of the obtained data from in situ synchrotron studies made it possible to estimate the lattice distortions and thermal expansion parameters, which in turn enabled the evaluation of stress existence during thermal cycling. In-situ high-temperature X-ray diffraction may potentially serve as a fast method for studying thermal mismatch caused by the thermal expansion of the substrate and coating, as well as a method for further optimization of the obtained coatings with minimal differences in the physical properties of the coating materials. Methods and materials In-situ synchrotron X-ray diffraction measurements at high X-ray energies were performed during cooling and heating on the VEPP-3 beamline at Novosibirsk, Russia. The X-ray beam had a size of 1×2 mm, a wavelength of 0.1 nm, and a photon energy of 12.4 keV. The specimens were initially heated from 30 °C to 550 °C and then cooled to 30 °C at a rate of 60 °C/min; in total, 3 heating-cooling cycles were performed. X-ray diffraction patterns were recorded at intervals of 30 °C. The interplanar distance (d) and the full-width at half-maximum (FWHM) of the diffraction peaks were obtained by fitting the diffraction reflections with a Gaussian distribution function. The lattice thermal expansion is determined by the change in strain of the d-space with temperature variation. The first derivative of the lattice thermal expansion curve, divided by the initial interplanar distance of the corresponding reflection plane, is defined as the lattice thermal expansion coefficient. The peak width includes instrumental broadening, specimen size variation, grain size broadening, and micro-stresses [15, 16]. In this experiment, instrumental broadening and grain size broadening are assumed to remain constant with temperature variation, so any changes in FWHM are attributed to the evolution of stresses. Results and discussion Fig. 1 shows the dynamic changes in the lattice parameter during thermal cycling. Here and throughout, the left part of the figure refers to homogeneous coatings and substrates with single-component coatings (suffix “mono”), while the right part of the figure represents the components of the multilayer coating and substrate with the applied multilayer coating (suffix “CrZirN 8 rpm”). The start of the thermal cycling process is indicated by a diamond, and the end of the process is denoted by a star. In all cases depicted in fig. 1, an increase in the lattice parameter (calculated from the (111) reflection) is observed during heating, followed by a decrease during cooling. However, it is found that the lattice parameter changes globally when comparing its value at the beginning and after the testing. This is demonstrated by the fitted straight line that extends throughout the testing period. The slope of this line indicates the extent of the lattice parameter change. When comparing the lattice parameter of the same phase for the ZrN mono specimen (Fig. 1a) and the CrZrN 8 rpm specimen (fig. 1b), the differences in the change of the lattice parameter are insignificant and follow a similar trend, even though the actual value of the lattice parameter in the ZrN component of the multilayer coating initially differed significantly and was smaller by 0.03 Å. When comparing the CrN phase in the CrN mono specimens and the CrZrN 8 rpm specimens, the rate of change (slope of the straight line) of the lattice parameter differs by an order of magnitude. This suggests that in the CrN mono specimen (fig. 1c), nitrogen depletion occurs to a greater extent during thermal cycling compared to the multilayer coating (fig. 1d) despite the initial difference in the lattice parameter of 0.125 Å. The lattice parameter, calculated from the (101) reflection, as well as its changes for the polycrystalline substrate, does not differ significantly, but will be considered later. The constructed hysteresis loops of the lattice parameter versus temperature during thermal cycling (fig. 2) provide insights not only into the differences in the magnitude of the lattice parameter but also reveal that the largest change (reduction) in the lattice parameter for all coatings occurs after the first

OBRABOTKAMETALLOV MATERIAL SCIENCE Vol. 25 No. 4 2023 heating cycle, as particularly evident in fig. 2, c (CrN mono specimen). However, the relationship between the lattice parameter and temperature within the cycle for the ZrN component of the multilayer coating (fig. 2, b) remains unclear. The intersecting fitted curves within the cycle in this case can be attributed to thermal stresses. Similar dependencies for the substrate material, the WC phase, were not observed, as the lattice parameter changes within the error range during the thermal cycling process. For the substrate, which has a hexagonal symmetry, only the reflection from the (101) plane is investigated for the same reason. The coefficient of thermal expansion (CTE) during thermal cycling is shown in fig. 3. Based on the logic of the thermal cycling process and the existence of extrema in the dependence, the graph in fig. 3 is presented as the absolute value of the ordinate axis. The single-component specimens presented in figs. 3, a, c, d demonstrate a cyclic CTE with good repeatability within the temperature range from 100 °C to 450 °C. For the ZrN mono and CrN mono coating materials, the average CTE is 18×10-6 °C-1. In contrast, for the Fig. 1. Dynamic pattern of the lattice parameter of the components of single-component coatings (a, c), multilayer coatings (b, d) and substrate (e, f) as a function of time (X-ray diffraction numbers). The straight line and the value of the slope of this straight line indicate the general change of the lattice parameter during thermal cycling a b c d e f

OBRABOTKAMETALLOV MATERIAL SCIENCE Vol. 25 No. 4 2023 Fig. 2. Dynamics of changes in the lattice parameter of the components of single-component coatings (a, c), multilayer coatings (b, d) and substrate (e, f) as a function of temperature during thermal cycling a b c d e f substrate material (WC), the CTE in the specified temperature range is 43.5×10-6 °C-1, which is 2.4 times higher than the CTE for the coating material. Deviations from a linear CTE are observed at temperatures below 100 °C and above 450 °C. This is particularly evident during the first heating of the ZrN mono and CrN mono coatings, indicated by red dots in figs. 3a and 3c. Additionally, the CTE behavior of the CrN mono coating shows a consistent decrease within the temperature range from 550 °C to 500 °C during cooling. When calculating the CTE for the multilayer coatings, it is found that linear sections of the CTE are almost absent. The CTE for the components of the multilayer coating and substrate is presented in figs. 3, b, d, e. Based on this data, it can be concluded that the multilayer coating led to an increase in the CTE magnitude, and the CTE of the substrate material also increased (figs. 3, b, d, e) compared to the singlecomponent coatings. In this case, the lowest CTE value is found for the ZrN phase, which is 26.3×10-6 °C-1 during heating and an average of 43.7×10-6 °C-1 during cooling. The CTE values for the CrN component

OBRABOTKAMETALLOV MATERIAL SCIENCE Vol. 25 No. 4 2023 Fig. 3. Thermal expansion coefficient during thermal cycling of components of singlecomponent coatings (a, c), multilayer coatings (b, d) and substrate (e, f) a b c d e f of the multilayer coating are in the range of 60 to 80×10-6 °C-1, while the CTE of the WC substrate phase is determined to be an average of 80×10-6 °C-1. Overall, there is a general increase in CTE for the multilayer coatings (figs. 3, b, d, e) compared to the CTE of the single-component coatings. The deformation presented here represents uniaxial strain calculated using equation ( ) , hkl in in d T d d - ε = where dhkl(T) is the interplanar distance measured at temperature T in the specimen for the diffraction reflection created by the lattice plane (hkl), and din represents the reference interplanar distance for that diffraction reflection.

OBRABOTKAMETALLOV MATERIAL SCIENCE Vol. 25 No. 4 2023 Figs. 4, a–d demonstrate the deformation change of the lattice for the investigated nitride coatings throughout the entire thermal cycling process, while the lattice deformation of the VK8 alloy substrate coating shows periodic behavior and linear dependence. Interestingly, the lattice deformation gradually increases with temperature up to 800 °C, which is usually uncommon. Stressed lattices typically relax at high temperatures. Fig. 5 illustrates the evolution of the FWHM (full-width at half-maximum) of selected reflection planes for the nitride coatings and substrate. It is evident that the FWHM dependencies of the crystalline planes differ between the specimens with single-component coatings (figs. 5, a, c, d) and the specimens with multilayer coatings (figs. 5, b, e). Distinguishing between heating and cooling cycles based on the FWHM data proved to be impossible for the CrN phase of both the single-component (fig. 5, c) and multilayer (fig. 5, d) coatings. In these cases, a b a d e f Fig. 4. Crystal lattice deformations as a function of temperature of the thermal cycling process of components of single-component coatings (a, c), multilayer coatings (b, d) and substrate (e, f)

OBRABOTKAMETALLOV MATERIAL SCIENCE Vol. 25 No. 4 2023 Fig. 5. FWHM evolution of selected reflection planes of nitride single-component coatings (a, c), multilayer coatings (b, d) and substrate (e, f) a b c d e f a general slope of the FWHM dependence with respect to the thermal cycling time is observed. In the case of the ZrN phase of the single-component (fig. 5, a) and multilayer (fig. 5, b) coatings, periodic increases and decreases in FWHM values are observed. Moreover, compared to the similar graph for the substrate, the periods of FWHM variation occur with a shift of half a period for the specimen with the multilayer coating (figs. 5, b, e). Conversely, for the specimen with the single-component coating (figs. 5, a, d), the periods of FWHM decrease and increase coincide. It should be noted that the FWHM (full-width at half-maximum) of the (111) plane for the nitride coatings generally remains almost unchanged before and after the thermal cycling process. The trend of

OBRABOTKAMETALLOV MATERIAL SCIENCE Vol. 25 No. 4 2023 the FWHM variation, where the peaks’ maxima and minima coincide at different temperatures, can be attributed to the occurrence of a low lattice thermal expansion coefficient in all directions of the specimen. Through the analysis of in-situ data presented above, we can understand the correlation between thermal expansion and internal stress. The FWHM of X-ray diffraction peaks is often used to measure internal stress caused by lattice defects [19]. In this study, the gradual increase in FWHM demonstrates the gradual increase in lattice distortions caused by interfaces between the substrate and coatings, as well as between individual layers of the multilayer coatings. As shown in figs. 3 and 5, the increase in FWHM coincided with a decrease in the thermal expansion coefficient, indicating that the accumulation of internal stress leads to volumetric expansion, which compensates for some of the lattice shrinkage of the original phase during cooling. It is worth noting that the FWHM values for the single-component coatings and its substrate decreased with increasing temperature (figs. 5, a, c, d). The reduction in peak broadening indicates the relaxation of residual stresses [13]. On the other hand, the FWHM increased with increasing temperature for the ZrN phase in the multilayer coating (fig. 5, b). Some studies attribute this effect to the presence of residual stresses coupled with an induced phase transformation [20]. Alternatively, under our thermal cycling conditions, the ZrN phase in the multilayer coating may experience compression from the second component of the multilayer coating, CrN, thereby inducing a stressed state. Additionally, nitrogen evaporation, which leads to changes in the chemical composition of the coating, can also affect the lattice parameter and create internal stresses [21]. The overall residual stress in the components includes internal stress, thermal stress, and external stress. During thermal processing, the change in each component of residual stress affects both the substrate and the coating layers due to differences in thermal expansion coefficients (CTE) and is attributed to the variation of thermal stress with temperature. Since the CTE of the ZrN and CrN phases in the single-component coatings was lower than that of the VK8 alloy substrate (figs. 3, a, c, d), an increase in tensile stress is observed in the ZrN and CrN layers upon heating [22]. However, the situation changes when analyzing the CTE of the present phases in the multilayer coating. As shown in figs. 3b, 3d, and 3e, the substrate and the CrN phase exhibit the highest CTE values (60–80×10-6 C-1), while the ZrN phase has the lowest CTE, with values of 30×10-6 C-1 during heating and 40×10-6 C-1 during cooling. Therefore, between the ZrN, CrN, and WC phases in the multilayer coating, conditions are created during heating that induce compressive stress in the CrN phase and tensile stress in the ZrN phase [23]. Conclusions This study investigated the behavior of thermal expansion and lattice parameter changes in relation to the development of internal stresses during thermal cycling. Based on the experimental data, the following conclusions can be drawn: 1. The lattice parameter of all coatings decreased during thermal cycling, indicating nitrogen evaporation and changes in the chemical composition of the coatings under thermal load. The multilayer coating showed the least variation in the lattice parameter, indicating the presence of diffusion barriers for nitrogen. 2. The analysis of the crystal lattice distortions of the coating components of the studied specimens did not reveal significant differences between single-component and multilayer coatings; 3. All studied coatings displayed thermal expansion comparable to that of the substrate. The slightly higher thermal expansion of the substrate in the single-component coatings resulted in tensile stresses at the interface. Between the ZrN and CrN phases of the multilayer coating and the WC phase of the substrate, conditions were created during heating that induced compressive stresses in the CrN phase and tensile stresses in the ZrN phase. As a result, it can be expected that the service life of multilayer coatings will be higher compared to single-component coatings.

OBRABOTKAMETALLOV MATERIAL SCIENCE Vol. 25 No. 4 2023 References 1. Krishnan R.S., Srinivasan R., Devanarayanan S. Theory of thermal expansion of crystals. Thermal expansion of crystals. Pergamon Press, 1979, ch. 3, pp. 54–104. DOI: 10.1016/B978-0-08-021405-4.50008-1. 2. Roy R., Agrawal D.K., McKinstry H.A. Very low thermal expansion coefficient materials. Annual Review of Material Science, 1989, vol. 19, pp. 59–81. DOI: 10.1146/annurev.ms.19.080189.000423. 3. Padture N.P., Gell M., Jordan E.H. Thermal barrier coatings for gas-turbine engine applications. Science, 2002, vol. 296, pp. 280–284. DOI: 10.1126/science.1068609. 4. Wang C., Yang J., Huang W., Zhang T., Yan D., Pu J., Chi B., Li J. Numerical simulation and analysis of thermal stress distributions for a planar solid oxide fuel cell stack with external manifold structure. International Journal of Hydrogen Energy, 2018, vol. 43, pp. 20900–20910. DOI: 10.1016/j.ijhydene.2018.08.076. 5. Bejarano M.L., Valarezo A., Lara-Curzio E., Sampath S. Dilation behavior of thermal spray coatings. Journal of Thermal Spray Technology, 2019, vol. 28, pp. 1851–1866. DOI: 10.1007/s11666-019-00927-4. 6. Tao S., Yang J., Shao F., Zhao H., Zhong X., Zhuang Y., Sheng J., Ni J., Li Q., Tao S. Atmospheric plasma sprayed thick thermal barrier coatings: Microstructure, thermal shock behaviors and failure mechanism. Engineering Failure Analysis, 2022, vol. 131. DOI: 10.1016/j.engfailanal.2021.105819. 7. Kustov S., Golyandin S., Sapozhnikov K., Vincent A., Maire E., Lormand G. Structural and transient internal friction due to thermal expansion mismatch between matrix and reinforcement in Al-SiC particulate composite. Materials Science and Engineering: A, 2001, vol. 313, pp. 218–226. DOI: 10.1016/S0921-5093(01)00971-6. 8. Khor K.A., Dong Z.L., Gu Y.W. Plasma sprayed functionally graded thermal barrier coatings. Materials Letters, 1999, vol. 38, pp. 437–444. DOI: 10.1016/S0167-577X(98)00203-1. 9. Öztürk B., Topcu A., Cora Ö.N. Influence of processing parameters on the porosity, thermal expansion, and oxidation behavior of consolidated Fe22Cr stainless steel powder. Powder Technology, 2021, vol. 382, pp. 199–207. DOI: 10.1016/j.powtec.2020.12.072. 10. Loghman-Estarki M.R., Shoja Razavi R., Edris H., Pourbafrany M., Jamali H., Ghasemi R. Life time of new SYSZ thermal barrier coatings produced by plasma spraying method under thermal shock test and high temperature treatment. Ceramics International, 2014, vol. 40, pp. 1405–1414. DOI: 10.1016/j.ceramint.2013.07.023. 11. Khan M.A., Anand A.V., Duraiselvam M., Rao K.S., Singh R.A., Jayalakshmi S. Thermal shock resistance and thermal insulation capability of laser-glazed functionally graded lanthanum magnesium hexaluminate/yttriastabilised zirconia thermal barrier coating. Materials (Basel), 2021, vol. 14. DOI: 10.3390/ma14143865. 12. Purushotham N., Parthasarathi N.L., Babu P.S., Sivakumar G., Rajasekaran B. Effect of thermal expansion on the high temperature wear resistance of Ni-20%Cr detonation spray coating on IN718 substrate. Surface and Coatings Technology, 2023, vol. 462. DOI: 10.1016/j.surfcoat.2023.129490. 13. Kaschel F.R., Vijayaraghavan R.K., Shmeliov A., McCarthy E.K., Canavan M., McNally P.J., Dowling D.P., Nicolosi V., Celikin M. Mechanism of stress relaxation and phase transformation in additively manufactured Ti-6Al-4V via in situ high temperature XRD and TEM analyses. Acta Materialia, 2020, vol. 188, pp. 720–732. DOI: 10.1016/j.actamat.2020.02.056. 14. Meng Q.-K., Xu J.-D., Li H., Zhao C.-H., Qi J.-Q., Wei F.-X., Sui Y.-W., Ma W. Phase transformations and mechanical properties of a Ti36Nb5Zr alloy subjected to thermomechanical treatments. Rare Metals, 2022, vol. 41, pp. 209–217. DOI: 10.1007/s12598-021-01744-x. 15. ShimanO.V., SkipponT., Tulk E., DaymondM.R. Strain evolution in Zr-2.5wt%Nb observedwith synchrotron X-ray diffraction. Materials Characterization, 2018, vol. 146, pp. 35–46. DOI: 10.1016/j.matchar.2018.09.022. 16. Qian L.H., Wang S.C., Zhao Y.H., Lu K. Microstrain effect on thermal properties of nanocrystalline Cu. Acta Materialia, 2002, vol. 50, pp. 3425–3434. DOI: 10.1016/S1359-6454(02)00155-6. 17. DaymondM.R. Internal stresses in deformed crystalline aggregates. Reviews inMineralogy and Geochemistry, 2006, vol. 63, pp. 427–458. DOI: 10.2138/rmg.2006.63.16. 18. Repper J., Hofmann M., Krempaszky C., Regener B., Berhuber E., Petry W., Werner E. Effect of macroscopic relaxation on residual stress analysis by diffraction methods. Journal of Applied Physics, 2012, vol. 112, p. 64906. DOI: 10.1063/1.4752877. 19. Fujita F.E. A statistical thermodynamic theory of pre-martensitic tweed structure. Materials Science and Engineering: A, 1990, vol. 127, pp. 243–248. DOI: 10.1016/0921-5093(90)90315-T. 20. Londoño-Restrepo S.M., Herrera-Lara M., Bernal-Alvarez L.R., Rivera-Muñoz E.M., Rodriguez-García M.E. In situ XRD study of the crystal size transition of hydroxyapatite from swine bone. Ceramics International, 2020, vol. 46, pp. 24454–24461. DOI: 10.1016/j.ceramint.2020.06.230.

OBRABOTKAMETALLOV MATERIAL SCIENCE Vol. 25 No. 4 2023 21. Youssef L., Kinfack Leoga A.J., Roualdes S., Bassil J., Zakhour M., Rouessac V., Ayral A., Nakhl M. Optimization of N-doped TiO2 multifunctional thin layers by low frequency PECVD process. Journal of the European Ceramic Society, 2017, vol. 37, pp. 5289–5303. DOI: 10.1016/j.jeurceramsoc.2017.05.010. 22. Daniel R., Holec D., Bartosik M., Keckes J., Mitterer C. Size effect of thermal expansion and thermal/ intrinsic stresses in nanostructured thin films: Experiment and model. Acta Materialia, 2011, vol. 59, pp. 6631–6645. DOI: 10.1016/j.actamat.2011.07.018. 23. Manjunath N., Santhy K., Rajasekaran B. The effect of strain induced phase transformation on the thermal expansion compatibility of plasma sprayed spinel coating on SOFC metallic interconnect – A study using in situ high temperature X-ray diffraction. International Journal of Hydrogen Energy, 2023, vol. 48 (81), pp. 31767–31768. DOI: 10.1016/j.ijhydene.2023.04.322. Conflicts of Interest The authors declare no conflict of interest.  2023 The Authors. Published by Novosibirsk State Technical University. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0).

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