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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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利用第一原理研究合金化对γ-TiAl,抗氧化性能的影响
DOI: 10.3724/SP.J.1037.2012.00694, PP. 385-390
Keywords: 第一原理,γ-TiAl,合金化,氧化能,相对稳定性,内氧化
Abstract:
利用第一原理平面波赝势方法,计算了含不同过渡族合金原子时Al2O3和TiO2的氧化能,据此分析了合金化对Al2O3和TiO2相对稳定性的影响.计算结果表明,几乎所有合金元素均增加Al2O3和TiO2的氧化能,使其稳定性下降.Al2O3和TiO2氧化能的差值表明,Nb,Mo,W,Re等显著降低Al2O3相对于TiO2的稳定性,因此,可抑制γ-TiAl中Al组分的内氧化,提高γ-TiAl的高温抗氧化性能.
| [1] | Clemens H, Kestler H. Adv Eng Mater, 2000; 2: 551
|
| [2] | Kim Y W. JOM, 1989; 41: 24
|
| [3] | Subramanian P R, Mendiratta M G, Dimiduk D M, Stucke M A. Mater Sci Eng, 1997; A239-240: 1
|
| [4] | Becker S, Rahmel A, Schorr M, Schutze M. Oxid Met, 1992; 38: 425
|
| [5] | Brady M, Brindley W, Smialek J, Locci I. JOM, 1996; 48: 46
|
| [6] | Niewolak L, Shemet V, Gil A, Singheiser L, Quadakkers J W. Adv Eng Mater, 2001; 3: 496
|
| [7] | Haanappel V A C, Sunderkotter J D, Stroosnijder M F. Intermetallics, 1999; 7: 529
|
| [8] | Nickel H, Zheng N X, Elschner A, Quadakkers W J. Mikrochim Acta, 1995; 119: 23
|
| [9] | Perkins R A, Chiang K T, Meier G H. Scr Metall, 1987; 21: 1505
|
| [10] | Shida Y, Anada H. Mater Trans JIM, 1994; 35: 623
|
| [11] | Shida Y, Anada H. Oxid Met, 1996; 45: 197
|
| [12] | Shida Y, Anada H. Corros Sci, 1993; 35: 945
|
| [13] | Wang F H, Tang Z L, Wu W T. Oxid Met, 1997; 48: 381
|
| [14] | Taniguchi S, Shibata T. Intermetallics, 1996; 4: S85
|
| [15] | Li H, Liu L M, Wang S Q, Ye H Q. Acta Metall Sin, 2006; 42: 897(李虹, 刘利明, 王绍青, 叶恒强. 金属学报, 2006; 42: 897)
|
| [16] | Li H, Wang S Q, Ye H Q. J Mater Sci Technol, 2009; 25: 569
|
| [17] | Liu S Y, Shang J X, Wang F H, Liu S Y, Yue Z, Xu H B. Phys Rev, 2009; 80B: 085414
|
| [18] | Liu S Y, Shang J X, Wang F H, Yue Z. Phys Rev, 2009; 79B: 075419
|
| [19] | Liu S Y, Shang J X, Wang F H, Yue Z.J Physics: Condens Matter, 2009; 21: 225005
|
| [20] | Luthra K L. Oxid Met, 1991; 36: 475
|
| [21] | Rahmel A, Spencer P J. Oxid Met, 1991; 35: 53
|
| [22] | Kresse G, Furthmuller J. Phys Rev, 1996; 54B: 11169
|
| [23] | Kresse G, Furthmuller J. Comput Mater Sci, 1996; 6: 15
|
| [24] | Blochl P E. Phys Rev, 1994; 50B: 17953
|
| [25] | Kresse G, Joubert D. Phys Rev, 1999; 59B: 1758
|
| [26] | Perdew J P, Burke K, Ernzerhof M. Phys Rev Lett, 1996; 77: 3865
|
| [27] | He J, Behera R K, Finnis M W, Li X, Dickey E C, Phillpot S R, Sinnott S B. Acta Mater, 2007; 55: 4325
|
| [28] | Li X, Finnis M W, He J, Behera R K, Phillpot S R, Sinnott S B, Dickey E C. Acta Mater, 2009; 57: 5882
|
| [29] | Abrahams S C, Bernstei J L. J Chem Phys, 1971; 55: 3206
|
| [30] | Matsunaga K, Tanaka T, Yamamoto T, Ikuhara Y. Phys Rev, 2003; 68B: 085110
|
| [31] | Boettger J C. Phys Rev, 1997; 55B: 750
|
| [32] | Damour H, Schiferl D, Denner W, Schulz H, Holzapfel W B. J Appl Phys, 1978; 49: 4411
|
| [33] | Li M S. High Temperature Corrosion of Metals. Beijing: Metallurgical Industry Press, 2001: 11(李美栓. 金属的高温腐蚀. 北京: 冶金工业出版社, 2001: 11)
|
| [34] | Wang L, Maxisch T, Ceder G. Phys Rev, 2006; 73B: 195107
|
| [35] | Martinez J I, Hansen H A, Rossmeisl J, Norskov J K. Phys Rev, 2009; 79B: 045120
|
| [36] | Sousa C, Illas F. Phys Rev, 1994; 50B: 13974
|
| [37] | Marquez A M, Plata J J, Ortega Y, Sanz J F.J Phys Chem, 2011; 115C: 16970
|
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