The thermodynamic properties of solid solutions with body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) structures in the Al-TM (TM = Ti, Zr and Hf) systems are calculated from first-principles using cluster expansion (CE), Monte-Carlo simulation and supercell meth
Structural properties of the nanoscopic Al85Ti15 solid solution observed in the hydrogen-cycled NaAlH4 + 0.1TiCl3 system
✍ Scribed by M.P. Pitt; P.E. Vullum; M.H. Sørby; M.P. Sulic; C.M. Jensen; J.C. Walmsley; R. Holmestad; B.C. Hauback
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 676 KB
- Volume
- 56
- Category
- Article
- ISSN
- 1359-6454
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✦ Synopsis
The twice-hydrogen-cycled NaAlH 4 + xTiCl 3 (x < 0.15) system has been studied by high-resolution X-ray synchrotron diffraction and transmission electron microscopy. Intense low d-spacing shoulders are formed on Al reflections, indicating the formation of a face-centred cubic Al 85 Ti 15 solid solution of unit cell dimension 4.0356 A ˚. The Al 85 Ti 15 solid solution is found as isolated 4-25 nm nanocrystallites on the NaAlH 4 surface. The Al 85 Ti 15 phase is highly h1 1 0i{1 1 1} edge dislocated to $6 Â 10 16 m À2 . Local energy-dispersive spectroscopy shows an Al:Ti ratio consistent with an Al 85 Ti 15 composition, confirming an extended solubility of Ti in Al. Structural analysis indicates a quenched L1 2 superlattice obtained by Al and Ti sublattice swapping, yielding an equivalent A1 Fm 3m model to describe the Al 85 Ti 15 crystal structure.
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