Mechanical and thermophysical properties of 4d-transition metal mononitrides
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Shakti Yadav
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Ramanshu P. Singh
Abstract
The second and third order elastic constants (SOECs and TOECs) of 4d-transition metal mononitrides XN (X: Zr and Nb) have been computed in the temperature range 0 K–500 K using Coulomb and Born–Mayer potential up to second nearest neighbours. In order to investigate the mechanical stability of XN, the computed values of SOECs have been utilized to find out Young’s modulus, bulk modulus, shear modulus, Zener anisotropy and Poisson’s ratio. Furthermore, the SOECs are applied to compute the wave velocities for shear and longitudinal modes of propagation along ⟨100⟩, ⟨110⟩ and ⟨111⟩ crystallographic orientations in the temperature range 100 K–500 K. Temperature dependent Debye average velocity, ultrasonic Grüneisen parameters (UGPs) and Debye temperature have been evaluated. In present work the thermal conductivity of chosen materials has also been evaluated using Morelli-Slack’s approach. Specific heat and total internal thermal energy have been calculated in the temperature range 100 K–500 K on the basis of Debye theory. Thermal relaxation time, acoustic coupling constants and attenuation of ultrasonic waves due to thermo-elastic relaxation and phonon–phonon interaction mechanisms have been calculated in the temperature range 100 K–500 K. The obtained results of present investigation have been compared with available other similar type of materials.
Funding source: Council of Scientific and Industrial Research, India
Award Identifier / Grant number: 09/1014(0012)/2019-EMR-I
Acknowledgments
One of the authors (SY) is thankful to Council for Scientific and Industrial Research – Human Resource Development Group (CSIR – HRDG) for providing financial assistance in form of CSIR – Junior Research Fellowship (09/1014(0012)/2019-EMR-I).
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Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
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Research funding: None declared.
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Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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Articles in the same Issue
- Frontmatter
- General
- Fiber-optic Michelson interferometer for detecting coolant level and refractive index
- Dynamical Systems & Nonlinear Phenomena
- Qualitative analysis of an eco-epidemiological model with a role of prey and predator harvesting
- Similarity solution for one dimensional motion of a magnetized self-gravitating gas with variable density under the absorption of monochromatic radiation
- Dust–ion acoustic solitary waves in a collisionless magnetized five components plasma
- Hydrodynamics
- Pressure-exerted steady laminar flow of an incompressible fluid along a porous parallel-walled channel with an impermeable wall
- Solid State Physics & Materials Science
- Local structure and electron density distribution analysis of tin(II) sulfide using pair distribution function and maximum entropy method
- Mechanical and thermophysical properties of 4d-transition metal mononitrides
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Articles in the same Issue
- Frontmatter
- General
- Fiber-optic Michelson interferometer for detecting coolant level and refractive index
- Dynamical Systems & Nonlinear Phenomena
- Qualitative analysis of an eco-epidemiological model with a role of prey and predator harvesting
- Similarity solution for one dimensional motion of a magnetized self-gravitating gas with variable density under the absorption of monochromatic radiation
- Dust–ion acoustic solitary waves in a collisionless magnetized five components plasma
- Hydrodynamics
- Pressure-exerted steady laminar flow of an incompressible fluid along a porous parallel-walled channel with an impermeable wall
- Solid State Physics & Materials Science
- Local structure and electron density distribution analysis of tin(II) sulfide using pair distribution function and maximum entropy method
- Mechanical and thermophysical properties of 4d-transition metal mononitrides
- Photoluminescence properties of Eu3+ doped CaSr(WO4)2 phosphor by Li+ charge compensation
