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vivi200207鐵桿木蟲 (著名寫手)
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1、題目：Electronic, elastic, thermodynamic properties and structure disorder of γ-AlON solid solution from ab initio calculations，期刊名稱：Journal of Alloys and Compounds，2013年第548卷25期，作者：Wang Yuezhong 2、題目：Synthesis of AlON Powder by Aluminothermic Reduction and Its Thermodynamic Analysis 期刊名稱：RARE METAL MATERIALS AND ENGINEERING（稀有金屬材料與工程）2009年第38卷，增刊2，作者: Wang Yuezhong |
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ljfan_nudt
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ljfan_nudt
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詳細(xì)的第一篇，第二篇就不列出了 Electronic, elastic, thermodynamic properties and structure disorder of gamma-AlON solid solution from ab initio calculations Author(s): Wang, YZ (Wang, Yuezhong)[ 1,2,3 ] ; Lu, TC (Lu, Tiecheng)[ 1,2,4 ] ; Zhang, RS (Zhang, Rongshi)[ 3 ] ; Jiang, SL (Jiang, Shengli)[ 1,2 ] ; Qi, JQ (Qi, Jianqi)[ 1,2 ] ; Wang, Y (Wang, Ying)[ 1,2 ] ; Chen, QY (Chen, Qingyun)[ 1,2,5 ] ; Miao, NH (Miao, Naihua)[ 6 ] ; He, DW (He, Duanwei)[ 7 ] Source: JOURNAL OF ALLOYS AND COMPOUNDS Volume: 548 Pages: 228-234 DOI: 10.1016/j.jallcom.2012.09.002 Published: JAN 25 2013 Times Cited: 0 (from Web of Science) Cited References: 56 [ view related records ] Citation Map Abstract: Spinel aluminium oxynitride (gamma-AlON), as a kind of transparent ceramic material expectable, is studied using the ab initio density functional method, in terms of electronic, elastic, thermodynamic properties and structure disorder. The results show that gamma-AlON exhibits strong ionicity, as quantitatively expressed by (Al-O(2.43+))(15) (Al-T(2.41+))(8) (O1.64-)(27) (N2.27-)(5) from our reassessment of the ionic character. We summarize and speculate that the considered oxynitride single-crystals exhibit highly elastic anisotropy. The interpretation of the thermodynamic properties of gamma-AlON according to quasi-harmonic Debye model confirm the available experiments and are extended to a wider temperature/pressure range. This material holds high elastic strength under extreme environments, where dB/dT absolute value is less than 0.03 GPa/K, independent of the pressure. Finally, we study the O/N structure disorder character of gamma-AlON solid solution by investigating nine possible crystal structures. It is found that gamma-AlON should be partially disordered, and in fact, the O/N ordering has a significant effect on the properties. (C) 2012 Elsevier B.V. All rights reserved. Accession Number: WOS:000312107400033 Document Type: Article Language: English Author Keywords: Ab initio calculations; gamma-AlON; Ionicity; Elasticity; Thermodynamic properties; Structure disorder KeyWords Plus: ALUMINUM OXYNITRIDE SPINEL; OPTICAL-PROPERTIES; ELEMENTS; LOCALIZATION; CRYSTALLINE; CONSTANTS; PRESSURE; COVALENT; DENSITY; SYSTEMS Reprint Address: Lu, TC (reprint author) Sichuan Univ, Dept Phys, Minist Educ, Chengdu 610064, Peoples R China. Addresses: [ 1 ] Sichuan Univ, Dept Phys, Minist Educ, Chengdu 610064, Peoples R China [ 2 ] Sichuan Univ, Key Lab Radiat Phys & Technol, Minist Educ, Chengdu 610064, Peoples R China [ 3 ] Tianjin Jinhang Inst Tech Phys, Tianjin 300192, Peoples R China [ 4 ] Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China [ 5 ] SW Univ Sci & Technol, Natl Def Key Discipline Lab Nucl Waste & Environm, Mianyang 621010, Peoples R China [ 6 ] Univ Liege, B-4000 Sart Tilman Par Liege, Belgium [ 7 ] Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610064, Peoples R China E-mail Addresses: wyzphysics@163.com; lutiecheng@scu.edu.cn Publisher: ELSEVIER SCIENCE SA, PO BOX 564, 1001 LAUSANNE, SWITZERLAND Web of Science Categories: Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering Research Areas: Chemistry; Materials Science; Metallurgy & Metallurgical Engineering IDS Number: 051EG ISSN: 0925-8388 |
4樓2013-06-13 20:57:35
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