Year 2019, Volume 23 , Issue 4, Pages 501 - 508 2019-08-01

Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys

Selgin Al [1] , Nihat Arıkan [2]


The mechanical, electronic and vibrational properties of Ir-based refractory superalloys (Ir3Hf and Ir3Nb) in the L12 structure were studied in the framework of ab initio calculations. The obtained equilibrium lattice constants and bulk modulus were reported and compared with the existing data. The elastic constants of alloys were determined using energy strain method. The results were utilised to evaluate mechanical stability of alloys in the crystal structure of L12.  Both alloys were found to be mechanically stable based on the Pugh’s criteria. Subsequently, electronic band structures and partial and total densities of states have been obtained for Ir3Hf and Ir3Nb. The band structures of alloys demonstrated metallic behaviour whilst the conductivity was mostly governed by Ir 5d states. Moreover, phonon distribution curves of both alloys were obtained by employing the linear response technique within the density functional theory. Both alloys are found to be dynamically stable based on phonon modes evaluation.

DFT, band structure, phonon modes, stability, superalloys
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Primary Language en
Subjects Physics, Applied
Published Date August 2019
Journal Section Research Articles
Authors

Orcid: 0000-0003-2496-1300
Author: Selgin Al (Primary Author)
Institution: AHİ EVRAN ÜNİVERSİTESİ
Country: Turkey


Orcid: 0000-0000-0000-0000
Author: Nihat Arıkan
Institution: AHİ EVRAN ÜNİVERSİTESİ
Country: Turkey


Dates

Application Date : October 17, 2018
Acceptance Date : February 13, 2019
Publication Date : August 1, 2019

Bibtex @research article { saufenbilder471663, journal = {Sakarya University Journal of Science}, issn = {1301-4048}, eissn = {2147-835X}, address = {}, publisher = {Sakarya University}, year = {2019}, volume = {23}, pages = {501 - 508}, doi = {10.16984/saufenbilder.471663}, title = {Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys}, key = {cite}, author = {Al, Selgin and Arıkan, Nihat} }
APA Al, S , Arıkan, N . (2019). Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys. Sakarya University Journal of Science , 23 (4) , 501-508 . DOI: 10.16984/saufenbilder.471663
MLA Al, S , Arıkan, N . "Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys". Sakarya University Journal of Science 23 (2019 ): 501-508 <http://www.saujs.sakarya.edu.tr/en/issue/43328/471663>
Chicago Al, S , Arıkan, N . "Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys". Sakarya University Journal of Science 23 (2019 ): 501-508
RIS TY - JOUR T1 - Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys AU - Selgin Al , Nihat Arıkan Y1 - 2019 PY - 2019 N1 - doi: 10.16984/saufenbilder.471663 DO - 10.16984/saufenbilder.471663 T2 - Sakarya University Journal of Science JF - Journal JO - JOR SP - 501 EP - 508 VL - 23 IS - 4 SN - 1301-4048-2147-835X M3 - doi: 10.16984/saufenbilder.471663 UR - https://doi.org/10.16984/saufenbilder.471663 Y2 - 2019 ER -
EndNote %0 Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys %A Selgin Al , Nihat Arıkan %T Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys %D 2019 %J Sakarya University Journal of Science %P 1301-4048-2147-835X %V 23 %N 4 %R doi: 10.16984/saufenbilder.471663 %U 10.16984/saufenbilder.471663
ISNAD Al, Selgin , Arıkan, Nihat . "Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys". Sakarya University Journal of Science 23 / 4 (August 2019): 501-508 . https://doi.org/10.16984/saufenbilder.471663
AMA Al S , Arıkan N . Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys. SAUJS. 2019; 23(4): 501-508.
Vancouver Al S , Arıkan N . Elastic, Electronic and Vibrational Properties of Ir-based Refractory Superalloys. Sakarya University Journal of Science. 2019; 23(4): 508-501.