caa a22 4500 463222415 CHVBK 20180405153216.0 cr unu---uuuuu 170326e20071001xx s 000 0 eng 10.1007/s10853-007-1715-6 doi (NATIONALLICENCE)springer-10.1007/s10853-007-1715-6 Influence of interstitial impurities on the valence electron structures and phase transformation behavior in intermediate Ti-Al alloys [Elektronische Daten] [Wen Zhi, Wen Li, Hani Gupta] Development of intermetallic compounds in Ti-Al alloys for high-temperature structural applications has long been impeded due to their embrittlement. To overcome the embritttlement, it is necessary to understand thoroughly its chemical bonding nature and the resultant phase transformation behavior. In this study, based on the Empirical Electron Theory of Solids and Molecules (EET), effects of interstitial impurities on the valence electron structures and phase transformations in the intermediate Ti-Al alloys were investigated. It was demonstrated that for such alloy systems, because interstitial impurities can enhance the hybridization states of Ti and Al atoms, the valence electron structures of various phases became considerably anisotropic. As a result, some phase transformations at high temperatures was hindered, leading to the occurrence of complex metastable phases at the room temperature. Such theoretical calculations clarified some unclear results from experimental observations in the literature. Springer Science+Business Media, LLC, 2007 Zhi Wen Department of Physics, Changchun University, 130022, Changchun, P.R. China aut Li Wen Key Laboratory of Low Dimensional Materials and Application Technology (Ministry of Education), Xiangtan University, 411105, Xiangtan, Hunan, China aut Gupta Hani Department of Mechanical Engineering, University of Alberta, T6G 2G8, Edmonton, AB, Canada aut Journal of Materials Science Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 42/19(2007-10-01), 8139-8143 0022-2461 42:19<8139 2007 42 10853 https://doi.org/10.1007/s10853-007-1715-6 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10853-007-1715-6 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Zhi Wen Department of Physics, Changchun University, 130022, Changchun, P.R. China aut NATIONALLICENCE 700 1- Li Wen Key Laboratory of Low Dimensional Materials and Application Technology (Ministry of Education), Xiangtan University, 411105, Xiangtan, Hunan, China aut NATIONALLICENCE 700 1- Gupta Hani Department of Mechanical Engineering, University of Alberta, T6G 2G8, Edmonton, AB, Canada aut NATIONALLICENCE 773 0- Journal of Materials Science Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 42/19(2007-10-01), 8139-8143 0022-2461 42:19<8139 2007 42 10853 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer