Abstract Book

21-23 SEPTEMBER 2018

KIRŞEHİR/TURKEY

INTERNATIONAL CONGRESS ONTHE WORLD OF TECHNOLOGY ANDADVANCED MATERIALS

8WITAM

i

21 – 23 September 2018 Kırşehir/Turkey

INTERNATIONAL CONGRESS ON THE WORLD OF

TECHNOLOGY AND ADVANCED MATERIALS

Abstract Book

Editors

Mustafa KURT - Gökay UĞUR

Şule UĞUR - Mustafa ÖZDURAN

i

WITAM – 2018

https://witam2018.ahievran.edu.tr

SCIENTIFIC COMMITTEE

Abdelouahad Chala, Biskra University (Algeria)

Abdullah Yıldız, Ankara Yıldırım Beyazıt University (Turkey)

Ahmet Ataç, Manisa Celal Bayar University (Turkey)

Aissa Belgacem-Bouzida, Batna 1 University (Algeria)

Ali Yiğit, Çankırı Karatekin University (Turkey)

Bahadır Boyacıoğlu, Ankara University (Turkey)

Bayram Tali, Adıyaman University (Turkey)

Bernard Legendre, University of Paris XI (France)

Beyza Sarıkavak-Lişesivdin Gazi University (Turkey)

Djamel Bradai, USTHB (Algeria)

Djamel Rached, S.Belabes University (Algeria)

El Djemai Belbacha, Batna 1 University (Algeria)

Emre Güler, Hitit University (Turkey)

Fahrettin Göktaş, Ankara Yıldırım Beyazıt University (Turkey)

Fatma Karipcin, Nevşehir Hacı Bektaş Veli University (Turkey)

Fethi Soyalp, Van Yüzüncü Yıl University (Turkey)

Fouad El Haj Hassan, Lebanese University (Lebanon)

Fouzia Adjaj, Batna 1 University (Algeria)

Gowtha N. Sundaraganesan, Annamalai University (India)

Gökay Uğur, Gazi University (Turkey)

Hakan Güngüneş, Hitit University (Turkey)

Hakim Baaziz, Msila University (Algeria)

Hamza Yaşar Ocak, Kütahya Dumlupınar University (Turkey)

Harun Çiftçi, Kırşehir Ahi Evran Üniversitesi (Turkey)

Hüseyin Ünver, Ankara University (Turkey)

Hüseyin Murat Tütüncü Sakarya University (Turkey)

Jena-Marc Fiorani, Nancy University France

Lakhdar Bechiri, Annaba University (Algeria)

Levent Urtekin, Kırşehir Ahi Evran University (Turkey)

Mamoun Medraj, Concordia University (Canada)

Melek Güler, Hitit University (Turkey)

Mohamed Chahdi, Batna 1 University (Algeria)

Murat Koca, Adıyaman University (Turkey)

Mustafa Kurt, Kırşehir Ahi Evran University (Turkey)

Mustafa Özduran, Kırşehir Ahi Evran University (Turkey)

Nezihe Çalışkan, Gazi University (Turkey)

Nihat Arıkan, Kırşehir Ahi Evran University (Turkey)

Nourredine Bouaouadja, Sétif University (Algeria)

Rıdvan Karapınar, Burdur Mehmet Akif Ersoy University (Turkey)

Saffet Nezir, Kırıkkale University (Turkey)

Salih Akbudak, Adıyaman University (Turkey)

Souraya Goumri-Said, Alfaisal University (Saudi Arabia)

Şemsettin Altındal, Gazi University (Turkey)

Şenay Yurdakul, Gazi University (Turkey)

Şule Uğur, Gazi University (Turkey)

Yassine Djaballah, Batna 1 University (Algeria)

Zakaria Boumerzoug, Biskra University (Algeria)

Zeynel Yalçın, Yıldız Teknik University (Turkey)

Ziya Merdan, Gazi University (Turkey)

Zoulikha Charifi, Msila University (Algeria))

O8

WITAM – 2018 https://witam2018.ahievran.edu.tr

Mechanical, Vibrational and Thermodynamical Properties of

Ti2SiB MAX Phase

Ayşenur Gencer1,2, Gökhan Sürücü1,3,4

1Middle East Technical University, Physics Department, 06800, Ankara

2 Karamanoğlu Mehmetbey University, Physics Department, 70100, Karaman 3 Ahi Evran University, Electric and Energy Department, 40100, Kırşehir

4 Gazi University, Photonic Application and Research Center, 06500, Ankara

Abstract:

MAX phases with M(n+1)AXn formula have good damage tolerance, good corrosion resistance,

high strength and stiffness at high temperatures because of their metallic, ionic and covalent

bonding [1,2]. X atom of the MAX phases is generally Carbon and/or Nitrogen atoms. There

are a few studies where the X atom is Boron in the literature. Borides of MAX phases could

have many technological applications due to the high neutron cross section and the stability of

Boron. In this study, mechanical, vibrational and thermal properties of Ti2SiB have been

investigated using Density Functional Theory(DFT). The Vienna Ab initio Simulation Package

(VASP) [3] has been employed with Perdew-Burke-Ernzerhof (PBE) parametrization of the

generalized gradient approximation (GGA) [4]. The elastic constants have been calculated

using stress-strain method with the well-optimized structure, and then the mechanical properties

have been obtained using these elastic constants (Cij). Moreover, Phonopy software [5] has been

used for the vibrational and thermal properties calculation. The calculation results will be

presented in this study.

Figure 1. The crystal structure of theTi2SiB.

This work was supported by the Ahi Evran University Research Project Unit under Project No

PYO-KMY.4001.15.001.

References

1. M. Radovic and M.W. Barsoum, Am. Ceram. Soc. Bull. 92 (2013), pp. 20–27.

2. Z.M. Sun, Int. Mater. Rev. 56 (2011), pp. 143–166.

3. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6 (1996), pp. 15–50.

4. J.P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett. 77 (1996), pp. 3865–3868.

5. A. Togo and I. Tanaka, Scr. Mater. 108 (2015), pp. 1–5.