A first-principles study for the elastic and mechanical properties of Ti64, Ti6242 and Ti6246 alloys

Guler E., Guler M., Ugur G., UĞUR Ş.

EUROPEAN PHYSICAL JOURNAL B, cilt.94, sa.11, 2021 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 94 Sayı: 11
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1140/epjb/s10051-021-00230-8
  • Dergi Adı: EUROPEAN PHYSICAL JOURNAL B
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Compendex, INSPEC, zbMATH
  • Gazi Üniversitesi Adresli: Evet

Özet

First-principles density functional theory (DFT) study calculations were performed for various elastic and mechanical properties of Ti64, Ti6242 and Ti6246 alloys. Generalized gradient approximation and the Perdew-Burke-Ernzerhof scheme of DFT were employed to present calculations together with virtual crystal approximation. All of the investigated alloys were found to be in ductile mechanical behavior. Also, machinability indexes of the concerned alloys were calculated and compared. Further, computed Vickers hardness values were determined to be in the range of Ti6242>Ti64>Ti6246. Obtained results for several elastic parameters, in particular for shear modulus (G) and Young's modulus (E) compare well the former experimental findings.