Lattice Dynamical Investigation on the Diffusion of Hydrogen Isotopes in Mg2Ni

Authors

  • Lakshmi Balasubramanian  Department of Physics, Vivekanandha College of Arts & Sciences for Women, Namakkal- Tamilnadu - 637205, India.
  • Prakash Iruthayanathan  Department of Physics, St. Joseph’s College (Autonomous), Tiruchirappalli, 620 002, India
  • Antony Muthaiyan  Department of Physics, Arul Anandar College, Karumathur, Madurai, 625514, India
  • Lawrence Nallathambi  Department of Physics, St. Joseph’s College (Autonomous), Tiruchirappalli, 620 002, India

Keywords:

Mg2Ni, eigen values, eigen vectors, mean square displacement, diffusion parameters, hydrogen isotopes, green function techniques, scattering matrix formalism and reaction coordinates.

Abstract

Metals and alloys play a vital role in the storage of hydrogen and its isotopes. To store hydrogen is to store energy. The storage capacity of a metal/ alloy is determined mainly by the diffusion parameters namely the pre-exponential factor of diffusion constant and the activation energy. Not much work is done regarding diffusion parameters of hydrogen isotopes in Mg2Ni except the ab-initio calculation and green’s function approach. Hence in this theoretical investigation, the diffusion parameters of hydrogen isotopes in Mg2Ni are computed using a reaction coordinate approach incorporating a scattering matrix formalism and green function technique. Our results are compared with the existing theoretical results.

References

  1. Haussermann, U., Blomqvist, H. and Nor??us, D., ???Bonding and Stability of the Hydrogen Storage Material Mg2NiH4???. Inorganic Chemistry, 41, 2002, 3684-3692. http://dx.doi.org/10.1021/ic0201046
  2. Van Setten, M.J., De Wijs, G.A. and Brocks, G., ???Ab Initio Study of the Effects of Transition Metal Doping of Mg2NiH4???. Physical Review B, 76, 2007, Article ID: 075125. http://dx.doi.org/10.1103/PhysRevB.76.075125"
  3. Jezierski, A., Jurczyk, M. and Szajek, A., ???Electronic Structure of Mg2Ni1???xCux???. Actaphysicapolonica A, 115, 2009, 223-225.
  4. Zhang Yanghuan, Yang Tai, Shang Hongwei, Zhang Guofang, CAI Ying, Zhao Dongliang, Gaseous and Electrochemical Hydrogen Storage Kinetics of ????????????????????????As-quenched Nanocrystalline and Amorphous, Mg2Ni-type Alloys, 604, Vol.28, No.3, ZHANG Yanghuan et al. Gaseous and Electrochemical Hydrogen Storage.
  5. Antony, M., Lawrence, N. and Rayappan, J.B., ??????????????????????????J. Comput. Theor. Nanosci. 12, 2015, 413-417.
  6. Garcia, G.N., Abriata, J.P. and Sofo, J.O., Phys. Rev. B 59, 1999, 746.
  7. Wang, S.P., Guo, J.G. and Jiang, Y., J. Comput. Theor. Nanosci. 10, 2013, 250.
  8. Rui Yu, Pengcheng Zhai, Guodong Li and Lisheng Liu, J. Elect. Materials 41, 2012, 1465.
  9. Girifalcom, L.A. and Weizer, V.G., Phys. Rev. 114, 1959, 687.
  10. Maradudin, A.A., E.W. Montroll, C.H. Weiss and I.P. Ipatova, ???Theory of Lattice Dynamics in the Harmonic Approximation???, Academic Press, New York, 1971, 708.
  11. Balaguru, R.J.B., Lawrence, N. and Raj, S.A.C., Int. J. Mod. Phys. B 16, 2002, 4111.
  12. Disalvo, F.J., Moncton, D.E. and Waszczak, J.V., Phys. Rev. B 14, 1976, 4321.
  13. Cermak, J. and Kral, L., Acta Materialia 56, 2008, 2677.

International Journal of Scientific Research in Science and Technology

Downloads

Published

2017-12-15

Issue

Volume 3, Issue 11, November-December-2017

Section

Research Articles

License

Copyright (c) IJSRST

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

How to Cite

[1]
Lakshmi Balasubramanian, Prakash Iruthayanathan, Antony Muthaiyan, Lawrence Nallathambi "Lattice Dynamical Investigation on the Diffusion of Hydrogen Isotopes in Mg2Ni" International Journal of Scientific Research in Science and Technology(IJSRST), Online ISSN : 2395-602X, Print ISSN : 2395-6011,Volume 3, Issue 11, pp.73-78, November-December-2017.