Technical Proceedings of the 2008 Clean Technology Conference and Trade Show

Clean Technology 2008

Chapter 5: Fuel Cell & Hydrogen Technologies

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.
Computer Simulation of Hydrogen Storage Materials
ISBN:
1-4200-8502-0
Pages:
724