International Hydrogen Conference (IHC 2012): Hydrogen-Materials Interactions
81 Influence of Hydrogen on the Cohesive Energies of Al/Si and Al/Mg2Si Interfaces
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Estimation of hydrogen effects on lattice defects and strength of interfaces is important for understanding hydrogen embrittlement mechanisms and accurately evaluating the strength of materials in a hydrogen environment. In this study, we estimated the hydrogen-trap energies of Al/Si and Al/Mg2Si interfaces that are important for 6000-series aluminum alloys and calculated their cohesive energies under a practical hydrogen concentration by first-principles calculations. The hydrogen-trap energy of Al/Si interface is much stronger than various lattice defects in Al and the Al/Mg2Si interface. If we assume a nominal hydrogen concentration of 1.61 ppm at 300 K, the hydrogen...