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In order to reveal the physical nature of high temperature oxidation of Nb alloy in electron level, the density of states, the atomic embedded energy, the atomic affinity energy and other electronic structure parameters of Nb alloy are calculated by using the recursive method. The high-temperature oxidation mechanism of Nb alloy is investigated. The results show that the diffusion rate and the solid solubility of oxygen are high in the Nb alloy, so oxygen can easily react with Nb to form oxides, which makes the oxidation resistance of Nb alloy poor at high temperatures. The calculated results of atomic embedded energy show that the stabilities of alloying elements (Ti, Si, Cr) are lower in the matrix than in the surface of Nb alloy, so they diffuse easily in to the surface of Nb alloy to form a surface layer enrichment with Ti, Si, Cr. Alloying elements Nb, Ti, Si, Cr have negative affinity energies to oxygen in alloy surface layer, thereby forming the corresponding oxide film, which has a protective effect for Nb alloy.
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Keywords:
- recursion method /
- high temperature oxidation /
- Nb alloy
[1] Subramanian P R, Mendiratta M G, Dimiduk D M 1996 JOM 48 33
[2] Qu S Y, Wang R M, Han Y F 2002 Mater. Rev. 16 31(in Chinese) [曲士昱、王荣明、韩雅芳 2002材料导报 16 31]
[3] Sims C T 1984 High Temp. Technol. 2 185
[4] Sheftel E N, Bannykh O A 1993 Int. J Refract. Met. Hard Mater. 12 303
[5] Haydock R 1980 Solid State Physics 35 (New York:Academic Press) p216
[6] Slater J C, Koster G F 1954 Phys. Rev. 94 14986
[7] Harrison W A 1980 Electronic Structure and the Properties of Solids (San Francisco: Freeman) p551
[8] Lu L, Bai B, Zhou J S 2004 Rare Metal Mat. Eng. 33 839 (in Chinese) [陆 雷、白 彬、邹觉生 2004 稀有金属材料与工程 33 839]
[9] Liu G L 2008 Acta Phys. Sin . 57 434 (in Chinese) [刘贵立 2008 物理学报 57 434]
[10] Li D, Yi D Q, Zhang X, Yang J 2006 Mater. Sci. Eng. Powder Metall. 11 149 (in Chinese) [李 丹、易丹青、张 霞、杨 洁2006 粉末冶金材料科学与工程 11 149]
[11] Guo J M, Guo X P, Song S G 2008 Acta Metal. Sin. 44 574 (in Chinese) [郭金明、郭喜平、宋曙光 2008 金属学报 44 574]
[12] Murakami T, Sasaki S, Ichikawa K 2001 Intermetallics 9 629
[13] Zhai J K 1994 Metal High temperature corrosion (Beijing: Beijing University of Aerospace Press)P4 (in Chinese) [翟金坤 1994 金属高温腐蚀 (北京:北京航空航天大学出版社)第4页]
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[1] Subramanian P R, Mendiratta M G, Dimiduk D M 1996 JOM 48 33
[2] Qu S Y, Wang R M, Han Y F 2002 Mater. Rev. 16 31(in Chinese) [曲士昱、王荣明、韩雅芳 2002材料导报 16 31]
[3] Sims C T 1984 High Temp. Technol. 2 185
[4] Sheftel E N, Bannykh O A 1993 Int. J Refract. Met. Hard Mater. 12 303
[5] Haydock R 1980 Solid State Physics 35 (New York:Academic Press) p216
[6] Slater J C, Koster G F 1954 Phys. Rev. 94 14986
[7] Harrison W A 1980 Electronic Structure and the Properties of Solids (San Francisco: Freeman) p551
[8] Lu L, Bai B, Zhou J S 2004 Rare Metal Mat. Eng. 33 839 (in Chinese) [陆 雷、白 彬、邹觉生 2004 稀有金属材料与工程 33 839]
[9] Liu G L 2008 Acta Phys. Sin . 57 434 (in Chinese) [刘贵立 2008 物理学报 57 434]
[10] Li D, Yi D Q, Zhang X, Yang J 2006 Mater. Sci. Eng. Powder Metall. 11 149 (in Chinese) [李 丹、易丹青、张 霞、杨 洁2006 粉末冶金材料科学与工程 11 149]
[11] Guo J M, Guo X P, Song S G 2008 Acta Metal. Sin. 44 574 (in Chinese) [郭金明、郭喜平、宋曙光 2008 金属学报 44 574]
[12] Murakami T, Sasaki S, Ichikawa K 2001 Intermetallics 9 629
[13] Zhai J K 1994 Metal High temperature corrosion (Beijing: Beijing University of Aerospace Press)P4 (in Chinese) [翟金坤 1994 金属高温腐蚀 (北京:北京航空航天大学出版社)第4页]
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