 | Clean Technology 2008
Bio Energy, Renewables, Green Building, Smart Grid, Storage, and Water
Chapter 5: Fuel Cell & Hydrogen Technologies |
| | Computer Simulation of Hydrogen Storage Materials | | Authors: | M. Katagiri, H. Onodera, H. Ogawa | | Affilation: | National Institute for Materials Science, JP | | Pages: | 294 - 297 | | Keywords: | molecular dynamics, hydrogen, amorphization, soft ware | | Abstract: | We develope a new software to design the hydrogen storage materials. The energetic and dynamical behavior of the materials are studied. As an example, we illustrate the amorphization process of intermetallics by hydrogenation, i.e. hydrogen induced amorphization (HIA). It is found that the elastic instability leads to the amorphization.The amorphization process is animated. It can be seen that the the sublattice of expanded atoms becomes unstable at first and amorphization is caused by the instability. This fact is appricable to design the hydrogen storage materials. |  | This paper is available to CTSI members in PDF© format. | | ISBN: | 1-4200-8502-0 |
| Pages: | 724 |
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| Indexes: | Keywords, Authors, Affiliations |
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