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cond-mat.mtrl-sci2008
Hydrogen Dissociation and Diffusion on Transition Metal(=Ti,Zr,V,Fe,Ru,Co,Rh,Ni,Pd,Cu,Ag)-doped Mg(0001) Surfaces
Monica Pozzo, Dario Alfe`
The kinetics of hydrogen absorption by magnesium bulk is affected by two main activated processes: the dissociation of the H molecule and the diffusion of atomic H into the bul…
cond-mat.mtrl-sci2001
The Ab Initio Melting Curve of Aluminium
Lidunka Vocadlo, Dario Alfe`
The melting curve of aluminium has been determined from 0 to ~150 GPa using first principles calculations of the free energies of both the solid and liquid. The calculations are ba…