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:
306 - 309
Keywords:
hydrogen, metal, diffusion, molecular dynamics, computer simulation
Abstract:
Elastic instability by hydrogenation and hydrogen diffusion are studied by molecular dynamics method. The bulk modulus instability causes the anorphization by hydrogenation. The atomic relaxation reduces the pressure fluctuation terms i n the elastic constant, and it leads to the bulk modulus instability. The hydrogen diffusion in metals is also studied. The phase transition of the diffusion is discussed.
Structural Stability of Hydrogen Storage Materials
ISBN:
1-4200-8502-0
Pages:
724