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

E. Güler, M. Güler, G. Uğur and Ş. Uğur
Additional contact information
E. Güler: Ankara Hacı Bayram Veli University
M. Güler: Ankara Hacı Bayram Veli University
G. Uğur: Gazi University
Ş. Uğur: Gazi University

The European Physical Journal B: Condensed Matter and Complex Systems, 2021, vol. 94, issue 11, 1-7

Abstract: Abstract 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.

Date: 2021
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DOI: 10.1140/epjb/s10051-021-00230-8

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