Investigation of zirconium nanowire by elastic, thermal and ultrasonic analysis

2020 ◽  
Vol 75 (12) ◽  
pp. 1077-1084
Author(s):  
Bhawan Jyoti ◽  
Shakti Pratap Singh ◽  
Mohit Gupta ◽  
Sudhanshu Tripathi ◽  
Devraj Singh ◽  
...  

AbstractThe elastic, thermal and ultrasonic properties of zirconium nanowire (Zr-NW) have been investigated at room temperature. The second and third order elastic constants (SOECs and TOECs) of Zr-NW have been figured out using the Lennard–Jones Potential model. SOECs have been used to find out the Young’s modulus, bulk modulus, shear modulus, Poisson’s ratio, Pugh’s ratio, Zener anisotropic factor and ultrasonic velocities. Further these associated parameters of Zr-NW have been utilized for the evaluation of the Grüneisen parameters, thermal conductivity, thermal relaxation time, acoustic coupling constants and ultrasonic attenuation. On the basis of the above analyzed properties of Zr-NW, some characteristics features of the chosen nanowire connected with ultrasonic and thermo-physical parameters have been discussed.

Open Physics ◽  
2009 ◽  
Vol 7 (1) ◽  
Author(s):  
Devraj Singh ◽  
Dharmendra Pandey ◽  
Pramod Yadawa

AbstractThe ultrasonic attenuation in thulium monochalcogenides TmX (X=S, Se and Te) has been studied theoretically with a modified Mason’s approach in the temperature and range 100 K to 300 K along 〈100〉, 〈110〉 〈111〉 crystallographic directions. The thulium monochalcogenides have attracted a lot of interest due to their complex physical and chemical characteristics. TmS, TmSe and TmTe are trivalent metal, mixed valence state, and divalent semiconductor, respectively. Coulomb and Born-Mayer potential is applied to evaluate the second- and third-order elastic constants. These elastic constants are used to compute ultrasonic parameters such as ultrasonic velocities, thermal relaxation time, and acoustic coupling constants that, in turn, are used to evaluate ultrasonic attenuation. A comparison of calculated ultrasonic parameters with available theoretical/experimental physical parameters gives information about classification of these materials.


2018 ◽  
Vol 96 (5) ◽  
pp. 513-518 ◽  
Author(s):  
Chinmayee Tripathy ◽  
Devraj Singh ◽  
Rita Paikaray

The temperature-dependent elastic and ultrasonic properties of curium monopnictides CmPn (Pn = N, P, As, Sb) have been explored in the present investigation. The second- and third-order elastic constants have been calculated using Coulomb and Born–Mayer potentials using lattice and hardness parameters. Mechanical parameters, such as Young’s modulus, bulk modulus, shear modulus, tetragonal modulus, anisotropic factor, and Poisson’s ratio, have been computed with second-order elastic constants. These materials fulfilled the requirement of the Born stability criterion. The toughness or fracture ratio is found to be more than 0.57 in CmPn, which indicates their brittle nature. In addition, the ultrasonic wave velocity, Debye average velocity, Debye temperature, thermal relaxation time, thermal conductivity, acoustic coupling constant, and ultrasonic attenuation have also been computed along ⟨100⟩, ⟨110⟩, ⟨111⟩ directions at room temperature. The results are discussed in correlation with other similar types of the materials.


2017 ◽  
Vol 72 (11) ◽  
pp. 977-983 ◽  
Author(s):  
Devraj Singh ◽  
Vyoma Bhalla ◽  
Jyoti Bala ◽  
Shikha Wadhwa

AbstractThe temperature-dependent mechanical and ultrasonic properties of barium, calcium, and lead polonides (BaPo, CaPo, and PbPo) were investigated in the temperature range 100–300 K. The second- and third-order elastic constants (SOECs and TOECs) were computed using Coulomb and Born-Mayer potential and these in turn have been used to estimate other secondary elastic properties such as strength, anisotropy, microhardness, etc. The theoretical approach followed the prediction that BaPo, CaPo, and PbPo are brittle in nature. PbPo is found to be the hardest amongst the chosen compounds. Further the SOECs and TOECs are applied to determine ultrasonic velocities, Debye temperature, and acoustic coupling constants along <100>, <110>, and <111> orientations at room temperature. Additionally thermal conductivity has been computed using Morelli and Slack’s approach along different crystallographic directions at room temperature. Finally ultrasonic attenuation due to phonon–phonon interaction and thermoelastic relaxation mechanisms has been computed for BaPo, CaPo, and PbPo. The behaviour of these compounds is similar to that of semi-metals with thermal relaxation time of the order 10−11 s. The present computation study is reasonably in agreement with the available theoretical data for the similar type of materials.


2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Ramanshu P. Singh ◽  
Shakti Yadav ◽  
Giridhar Mishra ◽  
Devraj Singh

Abstract The elastic and ultrasonic properties have been evaluated at room temperature between the pressure 0.6 and 10.4 GPa for hexagonal closed packed (hcp) hafnium (Hf) metal. The Lennard-Jones potential model has been used to compute the second and third order elastic constants for Hf. The elastic constants have been utilized to calculate the mechanical constants such as Young’s modulus, bulk modulus, shear modulus, Poisson’s ratio, and Zener anisotropy factor for finding the stability and durability of hcp hafnium metal within the chosen pressure range. The second order elastic constants were also used to compute the ultrasonic velocities along unique axis at different angles for the given pressure range. Further thermophysical properties such as specific heat per unit volume and energy density have been estimated at different pressures. Additionally, ultrasonic Grüneisen parameters and acoustic coupling constants have been found out at room temperature. Finally, the ultrasonic attenuation due to phonon–phonon interaction and thermoelastic mechanisms has been investigated for the chosen hafnium metal. The obtained results have been discussed in correlation with available findings for similar types of hcp metals.


2012 ◽  
Vol 9 (3) ◽  
pp. 1400-1406
Author(s):  
A. K. Gupta ◽  
S. Srivastava ◽  
K. B. Thapa

In this paper analysis of wave propagation of elastic wave in scandium antimonide semiconductor was investigated. In scandium antimonide semiconductor, NaCl structure was found. Ultrasonic properties like ultrasonic attenuation, sound velocities, acoustic coupling constants, and thermal relaxation time have been investigated in cubic scandium antimonide semiconductor. Second and third order elastic constant have been computed for the evaluation of above said ultrasonic properties. Second and third elastic constant was studied at the various temperatures. Longitudinal and shear velocity was calculated by using the elastic constant. Longitudinal and shear velocity increase with increase the temperature. Ultrasonic attenuation either from longitudinal or shear wave propagation in cubic materials increase with increase the temperature.


2014 ◽  
Vol 02 (03n04) ◽  
pp. 1450001
Author(s):  
PRAMOD KUMAR YADAWA

The ultrasonic properties like ultrasonic sound velocity in the hexagonal structured Cr2Nb compound have been studied along unique axis at room temperature. The second- and third-order elastic constants (SOECs and TOECs) have been calculated for this compound using Lennard–Jones potential. The velocities VLand VS1have minima and maxima respectively with 45° with unique axis of the crystal, while VS2increases with the angle from unique axis. Debye average sound velocities of Cr2Nb have been found to be increasing with the angle and has maximum at 55° with unique axis at room temperature. Hence, when a sound wave travels at 55° with unique axis of this material, then the average sound velocity is found to be maximum. The inconsistent behavior of angle dependent velocities is associated to the action of SOECs. The ultrasonic properties are discussed in correlation with elastic, thermal and electrical properties. It has been found that the thermal conductivity is the main contributor to the behavior of ultrasonic attenuation and the cause of attenuation is phonon–phonon interaction. The mechanical properties of Cr2Nb are better than other chromium-based alloys ( Cr2Ta , Cr2Zr and Cr2Hf ) at room temperature, because it has high ultrasonic velocity and low ultrasonic attenuation.


2011 ◽  
Vol 2011 ◽  
pp. 1-7
Author(s):  
Pramod Kumar Yadawa

The ultrasonic properties like ultrasonic attenuation, sound velocity in the hexagonal alloys have been studied along unique axis at room temperature. The second- and third-order elastic constants (SOEC & TOEC) have been calculated for these alloys using Lennard-Jones potential. The velocities and have minima and maxima, respectively, at 45° with unique axis of the crystal, while increases with the angle from unique axis. The inconsistent behaviour of angle-dependent velocities is associated to the action of second-order elastic constants. Debye average sound velocities of these alloys are increasing with the angle and has maximum at 55° with unique axis at room temperature. Hence, when a sound wave travels at 55° with unique axis of these alloys, then the average sound velocity is found to be maximum. The mechanical and ultrasonic properties of these alloys will be better than pure Zr and Sn due to their high SOEC and ultrasonic velocity and low ultrasonic attenuation. The comparison of calculated ultrasonic parameters with available theoretical/experimental physical parameters gives information about classification of these alloys.


2018 ◽  
Vol 32 (21) ◽  
pp. 1850248 ◽  
Author(s):  
Devraj Singh ◽  
Amit Kumar ◽  
Vyoma Bhalla ◽  
Ram Krishna Thakur

This paper describes the mechanical and thermophysical properties of actinide monocarbides AnCs (An=Np and Cm) as a function of temperature and crystallographic direction. The temperature-dependent second- and third-order elastic constant (SOECs and TOECs) have been computed first using Coulomb and Born–Mayer potential up to second nearest neighbor. SOECs have been applied to find out mechanical constant such as bulk modulus, shear modulus, tetragonal modulus, Poisson’s ratio and Zener anisotropy for the prediction of futuristic performance of the NpC and CmC. We also found the value of G/B [Formula: see text] 0.59 for the chosen materials, which indicates that NpC and CmC have brittle nature. The computed elastic constants are further applied directly to indirectly find out the ultrasonic velocity, Grüneisen parameters, pressure derivative, Debye temperature, micro-hardness, Breazeale’s nonlinearity parameter, thermal relaxation time and thermal conductivity. These evaluated parameters were finally used to compute ultrasonic attenuation of the NpC and CmC along [Formula: see text], [Formula: see text] and [Formula: see text] directions at room temperature. The behavior of the obtained results of this investigation has been compared with similar type of materials.


2016 ◽  
Vol 4 (1) ◽  
Author(s):  
Arvind Kumar Tiwari

Ultrasonic attenuation due to phonon-phonon interaction and thermo elastic mechanism have been evaluated in NbO along (110) direction in the temperature range 100-500K. The second and third order elastic constants are also evaluated for the evaluation of ultrasonic attenuation and other associated parameters. The ultrasonic attenuation due to phonon-phonon interaction is predominant over thermo elastic loss in this material. The results are discussed in correlation with thermo elastic properties of NbO.


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