{"title":"Theoretical Investigation on Thermophysical, Mechanical, and Ultrasonic Properties of NbN Layers Deposited on MgO(001) Substrates at High Temperature","authors":"A. K. Prajapati, V. Chaurasiya, P. K. Yadawa","doi":"10.1134/s0018151x23060019","DOIUrl":null,"url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>In the present paper, we calculated the elastic, mechanical, and thermophysical properties of NbN/MgO(001) layers in the temperature range 600–900°C using higher order elastic constants. With two fundamental factors, nearest-neighbour distance as well as hardness parameter, the second and third order elastic constants are estimated using the Born–Mayer potential approaches. The computed values of second order elastic constant are used to calculate Young modulus, thermal conductivity, Zener anisotropy, bulk modulus, thermal energy density, shear modulus as well as Poisson ratio in order to assess the thermal and mechanical properties of NbN/MgO(001) layers. Additionally, the second order elastic constant is also used to calculate the wave velocities for shear and longitudinal modes of propagation along crystalline orientations [100], [110], [111]. Temperature dependent Debye average velocity, hardness, and ultrasonic Grüneisen parameters are evaluated. The fracture/toughness <i>B</i>/<i>G</i> ratio in the current investigation is more than 1.75, indicating that the NbN/MgO(001) nanostructured layer is ductile in nature in this temperature range. The selected materials are fully satisfying the Born mechanical stability requirement. The time required for thermal relaxation is calculated and how ultrasonic waves are attenuated by thermo-elastic relaxation and phonon–phonon interaction mechanisms. The findings with other well-known physical features are helpful for industrial applications.</p>","PeriodicalId":13163,"journal":{"name":"High Temperature","volume":null,"pages":null},"PeriodicalIF":1.0000,"publicationDate":"2024-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"High Temperature","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1134/s0018151x23060019","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, APPLIED","Score":null,"Total":0}
引用次数: 0
Abstract
In the present paper, we calculated the elastic, mechanical, and thermophysical properties of NbN/MgO(001) layers in the temperature range 600–900°C using higher order elastic constants. With two fundamental factors, nearest-neighbour distance as well as hardness parameter, the second and third order elastic constants are estimated using the Born–Mayer potential approaches. The computed values of second order elastic constant are used to calculate Young modulus, thermal conductivity, Zener anisotropy, bulk modulus, thermal energy density, shear modulus as well as Poisson ratio in order to assess the thermal and mechanical properties of NbN/MgO(001) layers. Additionally, the second order elastic constant is also used to calculate the wave velocities for shear and longitudinal modes of propagation along crystalline orientations [100], [110], [111]. Temperature dependent Debye average velocity, hardness, and ultrasonic Grüneisen parameters are evaluated. The fracture/toughness B/G ratio in the current investigation is more than 1.75, indicating that the NbN/MgO(001) nanostructured layer is ductile in nature in this temperature range. The selected materials are fully satisfying the Born mechanical stability requirement. The time required for thermal relaxation is calculated and how ultrasonic waves are attenuated by thermo-elastic relaxation and phonon–phonon interaction mechanisms. The findings with other well-known physical features are helpful for industrial applications.
期刊介绍：
High Temperature is an international peer reviewed journal that publishes original papers and reviews written by theoretical and experimental researchers. The journal deals with properties and processes in low-temperature plasma; thermophysical properties of substances including pure materials, mixtures and alloys; the properties in the vicinity of the critical point, equations of state; phase equilibrium; heat and mass transfer phenomena, in particular, by forced and free convections; processes of boiling and condensation, radiation, and complex heat transfer; experimental methods and apparatuses; high-temperature facilities for power engineering applications, etc. The journal reflects the current trends in thermophysical research. It presents the results of present-day experimental and theoretical studies in the processes of complex heat transfer, thermal, gas dynamic processes, and processes of heat and mass transfer, as well as the latest advances in the theoretical description of the properties of high-temperature media.
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