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Hydrogen site occupancy in AB2 Laves phases

1986; Elsevier BV; Volume: 115; Issue: 1 Linguagem: Inglês

10.1016/0022-5088(86)90368-1

1878-2728

Douglas G. Ivey, Derek O. Northwood,

Fusion materials and technologies

Some of the shortcomings of the hydrogen site occupancy model for AB2-type Laves phases are demonstrated. The site occupancy model is based on enthalpy predictions of imaginary binary hidrides surrounding a particular tetrahedral interstice. However, it is shown that calculated enthalpies can be altered to yield virtually any desired, predicted occupancies and hence good agreement with evperimental data. Also, the model neglects other stability contributions and therefore does not present a true physical picture of hydrogen sorption in Laves phases.