American International Journal of Research in Formal, Applied & Natural Sciences

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1 American International Journal of Research in Formal, Applied & Natural Sciences Available online at ISSN (Print): , ISSN (Online): , ISSN (CD-ROM): AIJRFANS is a refereed, indexed, peer-reviewed, multidisciplinary and open access journal published by International Association of Scientific Innovation and Research (IASIR), USA (An Association Unifying the Sciences, Engineering, and Applied Research) Thermoelastic Properties of ZnxNi1-xO Nanocomposites under High Temperature Deepak Kumar Sharma *, Jagdhar Mandal University Department of Physics T.M. Bhagalpur University Bhagalpur , Bihar, INDIA Abstract:We have used the integral form of the equation of state (IFEOS) to study the thermal expansion properties of Zn xni 1-xO nanocomposites at high temperatures.the thermoelastic properties viz., the thermal expansivity, relative bulk modulus and volume thermal expansion of the given nanocomposites have been calculated taking Anderson Gruneisen parameter to be temperature dependent. This method confirms the usefulness of the above EOS in determining the temperature dependence of the thermoelastic properties of pure nanomaterials as well as its nanocomposites. Keywords: Nanocomposites, Zn xni 1-xO, thermal expansion coefficient, equation of state, bulk modulus I. Introduction Nanocomposites are composites of more than one Gibbsian solid phase in the nanometre scale and can be amorphous, semicrystalline or crystalline or combinations thereof and can be tailored to exhibit superior properties when compared to nanocrystalline monophasic materials [1]. The nanocomposites of mixed metal oxides help us to design better systems with unique material characteristics by changing some chemical, electronic and magnetic properties [2]. ZnO and NiO binary oxides films belong to a wide class of II VI materials and are of current interest because of their electrical specific optical, electrical, mechanical, properties, low material cost and low deposition temperature. They can be used for the optoelectronic devices, spintronics, photovoltaics [3-6]. ZnO owing to its wide band gap of 3.37 ev, large bond length and large exciton binding energy of 60 mev is an attractive material for optoelectronic applications.its non-centrosymmetric crystallographic phase makes it piezoelectric and suitable for use in electromagnetic coupled sensors and actuators [7]. The 3d-electrons of Ni in NiO due to the coulombic repulsion are localized in space and the ultraviolet transparent conductivity and low resistivity of NiO makes it suitable for use in UV detectors, LED s, in chemical sensors and dye sensitized solar cells etc. [8]. Zn xni 1-xO nickel zinc mixed oxide being a ternary oxide has either the cubic symmetry (NiO) or the hexagonal wurtzite symmetry (ZnO). These mixture oxides belong to ceramics family and have potential applications in microelectronic, nanoelectronic devices, and gas sensors. The magnetic nature of ZnNiO can be used for magneto optic effects [9-12]. Synthesis of NiO/ZnO mixture nanostructures have been reported by Kovalenko et al. [25]. The effect of temperature on the thermo-elastic constants of the nanomaterials have been studied extensively both theoretically and experimentally. The earlier theoretical attempts have been based on interionic potential models with some weaknesses in their approach, due to the various approximations involved and heavy computational work [13-15]. In the present study a straightforward method [16] for the evaluation of thermo-elastic properties at different temperatures has been discussed by assuming Anderson Gruneisen parameter to be temperature dependent even at high temperatures, with better results [17]. Investigation of the thermal properties of nanocrystalline composites of Al and its nanoparticles at room and high temperature have been reported by Liu et al.[18]. ]. Although there are many experimental work that has been carried out to study the structural, optical and magnetic properties of the Zn xni 1-xO nanocomposites [8,19,20] but there is a lack of theoretical study on their thermal properties. By using the integral form of (EOS) by Gupta et al. we have investigated the thermo-elastic properties such as the thermal expansivity, relative bulk modulus, and volume thermal expansion of Zn xni 1-xO nanocomposites (x = 0, 0.2, 0.4, 0.6, 0.8, and 1.0). II. Theory The product of thermal expansion coefficient (α) and bulk modulus (K T) remains constant under the effect of temperature, i.e. αk T =constant (1) AIJRFANS ; 2019, AIJRFANS All Rights Reserved Page 23

2 On differentiating Eq. (1) with respect to T, at constant pressure we get The Anderson Gruneisen parameter [13] (δ T) is given as Substituting the value of Eq. (3) in Eq. (4) we get Where (α) the coefficient of volume thermal expansion is defined as The temperature dependence is given by the following empirical relationship Where X= (T/T 0) and T 0 is the reference temperature and ( ) is the Anderson Gruneisen parameter δ T at T = T 0 and (k) is the new dimensionless thermoelastic parameter and can be expressed as Substituting Eq. (7) in Eq. (5) we get Integration of Eq. (9) gives the volume thermal expansion coefficient (α T) as Assuming the empirical temperature dependence of δ T then Eq. (4) at P = 0 may also be written as Using Eq. (7) and Eq. (11) we get Integrating Eq. (12) we get AIJRFANS ; 2019, AIJRFANS All Rights Reserved Page 24

3 Where C is the integrating constant and can be calculated by initial conditions T = T 0 and K= K 0 and thus the final expression for bulk modulus (K T) is The expression for volume thermal expansion can be obtained using Eq. (4), and Eq. (6) as Substituting Eq. (12) in Eq. (15) On integrating Eq. (16) we get the final expression for (V/V 0) as Where, A= {α 0δ T 0 /T 0 k (k+1)} and Eq. (17) is the Singh and Gupta [16] equation of state and we have computed the values of thermal expansivity (α T), relative bulk modulus (K T /K 0) and volume thermal expansion (V/V 0) at different temperatures and atmospheric pressure using equations (10), (14) and (17) respectively. III. Results and Discussions The values of Anderson Gruneisen parameter ( ) volume thermal expansion coefficient (α 0 ) and the thermoelastic parameter k have been calculated using Vegard s law [22] for Zn xni 1-xO nanocomposites (x = 0.2, 0.4, 0.6, and 0.8, ) and are shown in Table 1 along with the corresponding input values of n-nio and n-zno nanomaterials (Zn xni 1-xO ; x = 0 and 1) respectively [23, 24].The temperature range has been taken from 400K to 1300K. The calculated values are given in Table 1 and plotted with temperature. Graphically these values are shown in figures 1-3. Table 1 Volume thermal expansivity, Anderson Gruneisen parameter, thermoelastic parameter (k) Zn xni 1-xO α 0 (10-5 K -1 ) k x= x= x= x= x= x= The figures 1, 2 and 3 show the variation of the thermal expansivity, relative bulk modulus and volume thermal expansion with temperature respectively. The graphs for and present an increasing trend with increase in temperature whereas decreases with temperature increase and this behavior is consistent with the observed behavior for pure nanomaterials and nanocomposites [18, 24]. The points of intersection in fig. 1 and fig. 3 may be interpreted that the sample Zn xni 1-xO is a mixture of two phases: a ZnO based wurtzite phase and NiO based cubic phase and at higher temperatures ZnO completely dissolves in NiO and a single phase solid solution is generated as confirmed by [25].Thus the curve intersections gives us an overview of the possible phase transition behavior of the given nanocomposites. IV. Conclusion In summary, we have calculated the thermoelastic properties of Zn xni 1-xO nanocomposites using the given equation of state (IFEOS) due to its simple approach as it has been successfully done for the various classes of nanomaterials and its bulk materials. We have also examined the suitability of the given method and the corresponding changes AIJRFANS ; 2019, AIJRFANS All Rights Reserved Page 25

4 in the thermoelastic properties with temperature in understanding the phase transition behavior of the given nanocomposites.. V. Acknowledgements We thank Dr. Kamal Prasad, Professor, T.M. Bhagalpur University who provided insight and expertise that greatly assisted this work. VI. References [1] S. Komarneni, J. Mater. Chem., 1992, 2(12), [2] Zn xni 1-xO, Mixed-Metal xides by AES Surf. Sci. Spectra 14, 68(2007) [3] H. Sato, T. Mirami, S. Takata, T. Yamada, Thin Solid Films 236 (1993) 27. [4] J.H. Lee, K.H. Ko, B.O. Park, J. Cryst. Growth 247 (2003) 125. [5] E. Fortunato, P. Barquinha, R. Martins, Adv. Mater. 24 (2012) [6] R. Martins, P. Barquinha, L. Pereira, I. Ferreira, E. Fortunato, Appl. Phys. A Mater. Sci.Process. 89 (2007) 37. [7] S. C. Minne, S. R. Manalis, and C. F. Quate, Appl. Phys. Lett. 67, 3918 (1995). [8] V Sushmitha, V Maragatham, P Deepak Raj, M Sridharan IOP Conf. Series: Mat.Sci. and Engg. 310 (2018) [9] Q. Zhi, F. Yongming, B. Yu, P. Deng, L. Xing, X. Xue, Sensors Actuators B Chem. 222 (2016) 78. [10] C. Liu, B. Wang, T. Liu, P. Sun, Y. Gao, F. Liu, G. Lu, Sensors Actuators B Chem. 235(2016) 294. [11] B. Yin, H. Zhang, Q. Yu, Y. Chang, J. Lei, D. Yang, Y. Luo, Z. Yu, L. Hu, Nano Energy 21 (2016) 106. [12] T.A. Dar, A. Agrawal, P. Sen, J. Nano Electron. Phys. 5 (2013) [13] O.L. Anderson, D.G. Isaak, H. Oda, Rev. Geophys. And Space Phys., 30, pp , [14] Born M. and Huang K. Dynamical theory of crystal lattice (Oxford: Oxford University Press) [15] Bedi S. S., Singh M. and Singh J. Solid State Commun. 89 (1994), 265. [16] Singh K. Y. and Gupta B. R. K. Physica B 334 (2003), 266. [17] Prasad A., Singh M. and Gupta B. R. K. Indian J. Phys. 76A (2002), 291. [18] Y. Q. Liu, H. T. Cong, H. M. Cheng, AlN nanoparticles reinforced nanocrystaline Al matrix composites: fabrication and mechanical properties, J. Mater. Sci.Eng.A 505, 151, 2009 [19] ZnxNi1-xO Mixed-Metal Oxides by XPS and Auger Surf. Sci. Spectra 14, 79 (2007) [20] R. Dridi, M. BenAmor, N. Mahdhi, A. Amlouk, K. Boubaker, M. Amlouk, J. Non. Cryst. Solids, 449, 1 (2016) [21] Shanker J. and Kumar M. Phys. Stat. Sol. B 179 (1993), 351. [22] A.R. Denton, N.W. Ashcroft, Phys. Rev. A 43 (1991) [23] R. Seelaboyina, N. Phatak, R.P. Gulve, H.P. Leirmann, S.K. Saxena, Thermal Conduct. 27 (2005) 647. [24] Chandra J., Kandpal D. and Gupta B. R. K, High Temp. High Pressures, 37(2008), 325. [25] A. A. Kovalenko, A. N. Baranov and G. N. Panin, Russ. J. Inorg. Chem. 53 (2008) Fig. 1. Thermal expansion coefficient (α T) vs. temperature for Zn xni 1-xO AIJRFANS ; 2019, AIJRFANS All Rights Reserved Page 26

5 Fig. 2. Relative bulk modulus (K T/K 0) vs. temperature for Zn xni 1-xO Fig. 3. Volume thermal expansion (V/V 0 ) vs. temperature for Zn xni 1-xO AIJRFANS ; 2019, AIJRFANS All Rights Reserved Page 27