Katagiri M., Onodera H., Ogawa H.
National Institute for Materials Science, JP
Keywords: computer simulation, diffusion, hydrogen, metal, molecular dynamics
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.
Journal: TechConnect Briefs
Volume: Technical Proceedings of the 2008 Clean Technology Conference and Trade Show
Published: June 1, 2008
Pages: 306 - 309
Industry sector: Energy & Sustainability
Topic: Fuel cells & Hydrogen
ISBN: 1-4200-8502-0