On the calculation of the heats of formation for the MTi and M3Ti (M = Ni, Pd, Pt) alloys
✍ Scribed by P. Mikušík; Š. Pick
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 238 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0038-1098
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📜 SIMILAR VOLUMES
The electromc structure of NI-Co and Pd-Ag alloy surfxcs IS mvestIfated b) the CNDO/Z tght-bmdmg method In both MJoys, the VlllB and IB metal atoms iorm the mdepcndcnt d sub-bands. whtch tsquahtatwely conswent ulth the calcuhtlons by the coherrnt-potentul approumauon and wth photoermsslon spectrosco
The embedded atom method of Daw and Baskes was applied to the calculation of formation enthalpies and lattice parameters of Pd-Ni alloys. The functions for the pure components as developed by Daw and Baskes were used. The agreement with experimental values turned out to be somewhat disappointing.