| Yazarlar |
Rabia Benhafid
|
|
Aisa Belgacem Bouzida
|
|
Yassine Djaballah
|
Abdullah CANDAN
Kırşehir Ahi Evran Üniversitesi, Türkiye |
Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi, Türkiye |
|
Gökay Uğur
Gazi Üniversitesi, Türkiye |
| Özet |
| The phase diagrams of Al-Ba and Ba-Ge systems are optimized by coupling the CALPHAD approach and first-principles calculations. The binary intermetallic compounds were treated as stoichiometric phases. The total energies of nine intermetallic compounds: Al4Ba, Al13Ba7, Al5Ba3, Al5Ba4, Ba2Ge, Ba5Ge3, BaGe, -Ba3Ge4 and BaGe2 were calculated by first-principles calculation using density functional theory approximation as implemented in the VASP (Vienna Ab-initio Simulation Package) code and used in the CALPHAD approach to assess the two systems. The liquid solutions are described by the Redlich-Kister polynomial model. A set of thermodynamic parameters were obtained for the Al-Ba and Ba-Ge systems. The calculated phase diagrams and thermodynamic properties are in good agreement with most of the accuracy available data. |
| Anahtar Kelimeler |
| Al-Ba alloys | Ba-Ge alloys | CALPHAD | first-principles calculation | phase diagram | thermodynamics |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION |
| Dergi ISSN | 1547-7037 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q3 |
| Makale Dili | İngilizce |
| Basım Tarihi | 04-2019 |
| Cilt No | 40 |
| Sayı | 2 |
| Sayfalar | 195 / 205 |
| Doi Numarası | 10.1007/s11669-019-00714-2 |
| Makale Linki | http://link.springer.com/10.1007/s11669-019-00714-2 |
| Atıf Sayıları | |
| WoS | 4 |
| SCOPUS | 4 |
| Google Scholar | 7 |
