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.

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International Journal of Scientific Research in Science and Technology

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Published

2017-12-15

Issue

Volume 3, Issue 11, November-December-2017

Section

Research Articles

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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.