INVESTIGATION ON EFFECTS OF ALLOYING ON OXIDATION RESISTANCE OFγ-TiAl BY USING  FIRST PRINCIPLE

doi:10.3724/SP.J.1037.2012.00694

Acta Metall Sin

2013, Vol. 29

Issue (4): 385-390 DOI: 10.3724/SP.J.1037.2012.00694

Current Issue | Archive | Adv Search

INVESTIGATION ON EFFECTS OF ALLOYING ON OXIDATION RESISTANCE OFγ_-TiAl BY USING FIRST PRINCIPLE

PING Faping, HU Qingmiao, YANG Ru

Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang

Cite this article:

PING Faping, HU Qingmiao, YANG Ru. INVESTIGATION ON EFFECTS OF ALLOYING ON OXIDATION RESISTANCE OFγ_-TiAl BY USING FIRST PRINCIPLE. Acta Metall Sin, 2013, 29(4): 385-390.

Download:

PDF(2549KB)
Export: BibTeX | EndNote (RIS)

Abstract

The oxidation energies of Al₂O₃ and TiO₂ containing different transition metal alloying elements were calculated by using a first_-principles plane_-wave pseudoptential method, the effect of alloying on the relative stabilities of Al₂O₃ and TiO₂ was also analyzed. The results showed that almost all the alloying elements increased the oxidation energies of Al₂O₃ and TiO₂, i.e., destabilized both Al₂O₃ and TiO₂. Comparing the oxidation energies of Al₂O₃ and TiO₂, it was foud that, W, Mo, Re, Nb, etc., decreased significantly the stabilities of Al₂O₃ relative to that of TiO₂, indicating that these alloying elements may hamper efficiently the inner oxidation of Al in the γ-TiAl matrix so as to increase the high_-temperature oxidation resistance of γ-TiAl.

Key words: first principle γ-TiAl, alloying oxidation energy relative stability internal oxidation

Received: 21 November 2012

	Service

	E-mail this article
	Add to citation manager
	E-mail Alert
	RSS
	（）
	Articles by authors
	PING Faping
	HU Qingmiao
	YANG Ru

URL:

https://www.ams.org.cn/EN/10.3724/SP.J.1037.2012.00694 OR https://www.ams.org.cn/EN/Y2013/V29/I4/385

[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

[1]	WANG Furong, ZHANG Yongmei, BAI Guoning, GUO Qingwei, ZHAO Yuhong. First Principles Calculation of Al-Doped Mg/Mg₂Sn Alloy Interface[J]. 金属学报, 2023, 59(6): 812-820.
[2]	LI Yamin, ZHANG Yaoyao, ZHAO Wang, ZHOU Shengrui, LIU Hongjun. First-Principles Study on the Effect of Cu on Nb Segregation in Inconel 718 Alloy[J]. 金属学报, 2022, 58(2): 241-249.
[3]	Jiangang NIU, Wei XIAO. The Lattice Instability Induced by Ti-Site Ni in B2 Austenite in TiNi Alloy[J]. 金属学报, 2019, 55(2): 267-273.
[4]	Gang ZHOU, Lihua YE, Hao WANG, Dongsheng XU, Changgong MENG, Rui YANG. A First-Principles Study on Basal/Prismatic Reorientation-Induced Twinning Path and Alloying Effect in Hexagonal Metals[J]. 金属学报, 2018, 54(4): 603-612.
[5]	Ronghua CUI, Xinyu WANG, Zhengchao DONG, Chonggui ZHONG. First Principles Study on Elastic and Thermodynamic Properties of Mg_1-_xZn_x Alloys[J]. 金属学报, 2017, 53(9): 1133-1139.
[6]	NIU Jiangang; WANG Baojun; WANG Cuibiao; TIAN Xiao. FIRST-PRINCIPLES CALCULATION OF ELECTRONIC STRUCTURE, BONDING CHARACTERISTIC AND BONDING STRENGTH OF TiN(111)/BN/TiN(111) INTERFACE[J]. 金属学报, 2009, 45(10): 1185-1189.
[7]	LIANG Shuhua; XU Lei; FANG Liang; FAN Zhikang. Microstructure and Antibacterial Properties of Cu--Contained Antibacterial Stainless Steel[J]. 金属学报, 2004, 40(3): 309-313 .
[8]	LI Tiefan; HU Wusheng; SHEN Jianian(State Key Laboratory of Corrosion Science; Institute of Corrosion and Prolection of Metals; Chinese Academy of Sciences; Shenyang 110015). HIGH TEMPERATURE OXIDATION PERFORMANCE OF SUPERALLOY M41[J]. 金属学报, 1995, 31(24): 527-534.
[9]	NING Yuantao;WEN Fei;ZHAO Huaizhi;DENG Deguo Kunming Institute of Precious Metals. INTERNAL OXIDATION OF Pd-Eu ALLOYS[J]. 金属学报, 1993, 29(9): 65-71.
[10]	NING Yuantao;LI Yongnian Kunming Institute of Precious Metals. INTERNAL OXIDATION BEHAVIOR OF Pd-40Ag-1M (M=Zr, Y) ALLOYS[J]. 金属学报, 1989, 25(1): 96-103.
[11]	YANG Rui;LI Dong;WAN Xiaojing Institute of Metal Research; Academia Sinica; Shenyang. PHASE BOUNDARY OF α_2 PRECIPITATION IN Ti-Al-La TERNARY SYSTEM[J]. 金属学报, 1988, 24(4): 288-290.

No Suggested Reading articles found!

Viewed

Full text

Abstract

Cited

Shared

Discussed