Formation of Cotunnite Phase in ZrO2 under Uniaxial Stress A First Principles Study
   
Yazarlar (2)
Prof. Dr. Hülya ÖZTÜRK Kırşehir Ahi Evran Üniversitesi, Türkiye
Murat Durandurdu
Kırşehir Ahi Evran Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of the American Ceramic Society
Dergi ISSN 0002-7820 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SSCI
Makale Dili İngilizce Basım Tarihi 03-2011
Cilt / Sayı / Sayfa 94 / 3 / 932–937 DOI 10.1111/j.1551-2916.2010.04167.x
Makale Linki http://doi.wiley.com/10.1111/j.1551-2916.2010.04167.x
Özet
Using a constant pressure ab initio technique, we study the response of ZrO2 to uniaxial stresses and find two different phase transformations; the application of uniaxial stress along the [010] and [100] directions yields a direct phase transformation from the baddeleyite structure to the P21/m and Pnma structures, respectively. Conversely, we observe structural failure of ZrO2 when it is compressed along the [001] axis. © 2010 The American Ceramic Society.
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