Computer Simulation of Hydrogen Storage Materials

	Clean Technology 2008 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.
ISBN:	1-4200-8502-0
Pages:	724
Order:	Online/Mail/Fax Ordering Options
Indexes:	Keywords, Authors, Affiliations
Up

Join Us

Featured Events

ARPA-E Energy Innovation Summit
Washington DC, Feb. 27-29, 2012

Cleantech 2012
(joint with TechConnect World)
Santa Clara CA, June 19-21, 2012

"We've very much enjoyed being a member of CTSI. In addition to the many networking and conference opportunities, we've found the monthly newsletters to be the best consolidated source of clean technology industry information and updates on policy, grants and market intelligence."

- Patrick J. Piper, QM Power, Inc.

"Ener-G-Rotors is pleased to be a member of CTSI. CTSI has been very supportive of our efforts in clean technology, helping to connect us with key legislators, introducing us to contacts at the DOE, and providing opportunities to network with other clean technology companies."

- Michael Newell, Ener-G-Rotors, Inc.

"The Clean Technology and Sustainable Industries Organization brings together the world's most innovative companies to provide critical thinking and technology solutions to real-world challenges."

- Dr. Ray O Johnson, Senior Vice President and Chief Technology Officer, Lockheed Martin

Clean Technology 2008

Chapter 5: Fuel Cell & Hydrogen Technologies

Computer Simulation of Hydrogen Storage Materials