Energy Landscape of Zirconia Phase Transitions

The solid-phase transitions of zirconia are important phenomena for many industrial applications. Because of the lack of tools for resolving the atom displacement pattern, the transition kinetics has been disputed for over 60 years. Here, first-principles-based stochastic surface walking (SSW) pathw...

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Veröffentlicht in:	Journal of the American Chemical Society 2015-07, Vol.137 (25), p.8010-8013
Hauptverfasser:	Guan, Shu-Hui, Zhang, Xiao-Jie, Liu, Zhi-Pan
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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