Ab initio study of phonon dispersion and elastic properties of L12 intermetallics Ti3Al and Y3Al
Yazarlar (9)
N. Arikan Kırşehir Ahi Evran Üniversitesi, Türkiye
M. Ersen
Kırşehir Ahi Evran Üniversitesi, Türkiye
Kırşehir Ahi Evran Üniversitesi, Türkiye
H. Y. Ocak Dumlupinar Üniversitesi, Türkiye
Prof. Dr. Ahmet İYİGÖR Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Abdullah CANDAN Kırşehir Ahi Evran Üniversitesi, Türkiye
Ş Uǧur Gazi Üniversitesi, Türkiye
G. Uǧur
Gazi Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
R. Khenata Université Mustapha Stambouli De Mascara, Cezayir
D. Varshney
Devi Ahilya Vishwavidyalaya, Indore, Hindistan
Devi Ahilya Vishwavidyalaya, Indore, Hindistan
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Modern Physics Letters B | ||
| Dergi ISSN | 0217-9849 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2013 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | 21-11-2013 |
| Cilt / Sayı / Sayfa | 27 / 30 / 1350224–0 | DOI | 10.1142/S0217984913502242 |
| Makale Linki | https://www.worldscientific.com/doi/abs/10.1142/S0217984913502242 | ||
| Özet |
| In this paper, the structural, elastic and phonon properties of Ti3Al and Y3Al in L12(Cu3Al) phase are studied by performing first-principles calculations within the generalized gradient approximation. The calculated lattice constants, static bulk moduli, first-order pressure derivative of bulk moduli and elastic constants for both compounds are reported. The phonon dispersion curves along several high-symmetry lines at the Brillouin zone, together with the corresponding phonon density of states, are determined using the first-principles linear-response approach of the density functional perturbation theory. Temperature variations of specific heat in the range of 0–500 K are obtained using the quasi-harmonic model. |
| Anahtar Kelimeler |
| Ab initio calculations | Density functional theory | Elastic constant | Ti 3Al intermetallic compound |
Science Direct
Ab initio study of phonon dispersion and elastic properties of L12 intermetallics Ti3Al and Y3Al
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 9 |
| Web of Science | 3 |