Investigations of Structural, Elastic, Electronic and Thermodynamic Properties of X2TiAl Alloys: A Computational Study
Yazarlar (3)
Doç. Dr. Selgin Al Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Nihat Arıkan Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Ahmet İYİGÖR Kırşehir Ahi Evran Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Zeitschrift Fur Naturforschung Section A Journal of Physical Sciences (Q3)
Dergi ISSN 0932-0784 Dergi Bilgileri (2018)
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 09-2018
Cilt / Sayı / Sayfa 73 / 9 / 859–867 DOI 10.1515/zna-2018-0207
Makale Linki http://www.degruyter.com/view/j/zna.2018.73.issue-9/zna-2018-0207/zna-2018-0207.xml
UAK Araştırma Alanları
Yoğun Madde Fiziği
Özet
Abstract
First-principle calculations have been adopted in order to reveal and deeply understand the structural, electronic, elastic, thermodynamic, and vibrational properties of full-Heusler X2TiAl (X = Au, Ru, and Zr) alloys in the L21 phase. The fundamental physical properties such as bulk modulus, its pressure derivative, anisotropy factor, shear modulus, Poisson’s ratio, Cauchy pressure, elastic constants, heat capacity, thermal expansion coefficient, and Young’s modulus are obtained and compared with the literature. Debye temperature and Grüneisen parameter are also evaluated over the temperature range of 0–1500 K. Electronic band structures and their partial density of states and phonon dispersion curves are presented for all alloys and used to interpret the electronic and mechanical properties and stabilities of alloys in the L21 phase.
Anahtar Kelimeler
DFT | Elastic Constant | Electronic Structure | First Principle | Phonon.
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Web of Science 40
Scopus 38
Google Scholar 48
Investigations of Structural, Elastic, Electronic and Thermodynamic Properties of X2TiAl Alloys: A Computational Study

Paylaş

İletişim
  • Kırşehir Ahi Evran Üniversitesi Bağbaşı Yerleşkesi, 40100, KIRŞEHİR \ TÜRKİYE
  • unis@ahievran.edu.tr
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