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Journal

2012 | 10 | 1 | 86-95

Article title

On the thermodynamics of phase transitions in metal hydrides

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Content

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Languages of publication

EN

Abstracts

EN
Metal hydrides are solutions of hydrogen in a metal, where phase transitions may occur depending on temperature, pressure etc. We apply Le Chatelier’s principle of thermodynamics to a particular phase transition in TiHx, which can approximately be described as a second-order phase transition. We show that the fluctuations of the order parameter correspond to fluctuations both of the density of H+ ions and of the distance between adjacent H+ ions. Moreover, as the system approaches the transition and the correlation radius increases, we show -with the help of statistical mechanics-that the statistical weight of modes involving a large number of H+ ions (‘collective modes’) increases sharply, in spite of the fact that the Boltzmann factor of each collective mode is exponentially small. As a result, the interaction of the H+ ions with collective modes makes a tiny suprathermal fraction of the H+ population appear. Our results hold for similar transitions in metal deuterides, too. A violation of an -insofar undisputed-upper bound on hydrogen loading follows.

Publisher

Journal

Year

Volume

10

Issue

1

Pages

86-95

Physical description

Dates

published
1 - 2 - 2012
online
3 - 12 - 2011

Contributors

author
  • DICAT, Universita’ di Genova-1, via Montallegro, 16145, Genova, Italy

References

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  • [5] A. V. der Ven, Q. Xu, J. Bhattacharya, First-principles prediction of hydride phase stability and the thermodynamics of decohesion, In: B. Somerday, P. Sofronis, R. Jones (Eds.), Proceedings of the 2008 intl. hydrogen conference - effects of hydrogen on materials, Sept. 7–10, 2008, Jackson Lake Lodge, Grand Teton National Park, Wyoming, USA (ASM International, New York 2008)
  • [6] V. I. Ivaschenko, L. A. Ivashchenko, P. L. Srynskij, L. A. Grishnov, A. I. Stepny, In: B. Berenovsky, S. Y. Zaginaichenko, D. Vischur (Eds.), Carbon nanomaterials in clean energy hydrogen systems (Springer, Berlin, 2008)
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  • [10] B. J. Heuser, J. S. King, W. C. Chen, J. Alloy Compd. 292, 134 (1999) http://dx.doi.org/10.1016/S0925-8388(99)00256-X[Crossref]
  • [11] W. C. Chen, B. J. Heuser, J. S. King, J. Appl. Crystallogr. 33, 442 (2000) http://dx.doi.org/10.1107/S0021889899013667[Crossref]
  • [12] L. D. Landau, E. M. Lifschitz, Statistical physics (Oxford, Pergamon, 1958)
  • [13] L. D. Landau, E. M. Lifschitz, Theory of elasticity (Oxford, Pergamon, 1960)
  • [14] G. A. Korn, T. M. Korn Mathematical handbook for scientists and engineers (McGraw-Hill, New York, 1968)
  • [15] S. A. Semiletov, R. V. Baranova, Y. P. Khodyrev, R. socM. Imamov, Sov. Phys. Crystallogr. 25,6, 865 1980)
  • [16] R. V. Baranova, Yu. P. Khodyrev, R. M. Imamov, S.A. Semiletov, Sov. Phys. Crystallogr. 25, 736 (1980)

Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.-psjd-doi-10_2478_s11534-011-0094-4
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