Structural Stability of Hydrogen Storage Materials

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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.

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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