论文

实用型数值回归法在三元铝合金互扩散系数计算中的应用*

  • 刘远荣 ,
  • 陈伟民 ,
  • 汤颖 ,
  • 杜勇 ,
  • 张利军
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  • 中南大学粉末冶金国家重点实验室, 长沙 410083

收稿日期: 2015-10-21

  网络出版日期: 2016-05-06

基金资助

* 国家自然科学基金项目51301208和51474239,湖南省自然科学基金项目2015JJ3146, 以及中南大学粉末冶金国家重点实验室项目资助

APPLICATION OF PRAGMATIC NUMERICAL INVERSE METHOD IN COMPUTATION OF INTERDIFFUSION COEFFICIENTS IN Al TERNARY ALLOYS

  • Yuanrong LIU ,
  • Weimin CHEN ,
  • Ying TANG ,
  • Yong DU ,
  • Lijun ZHANG
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  • State Key Lab of Powder Metallurgy, Central South University, Changsha 410083, China

Received date: 2015-10-21

  Online published: 2016-05-06

Supported by

Supported by National Natural Science Foundation of China (Nos.51301208 and 51474239), Natural Science Foundation of Hunan Province (No.2015JJ3146) and Project of State Key Laboratory of Powder Metallurgy, Central South University

摘要

制备了bcc结构Al-Fe-Mn和fcc结构Al-Cu-Ni三元铝合金单相固态半无限长和有限长 (或薄膜型) 扩散偶, 通过EPMA测得相应成分-距离曲线, 并采用实用型数值回归法计算了相应合金体系1273 K时随成分变化的互扩散系数, 所得结果均满足热力学稳定条件. 基于所测得互扩散系数及Fick第二定律, 重现了实验测定的成分-距离曲线, 证实了所获得互扩散系数的可靠性. 进一步分析结果表明, 该实用型数值回归法不仅可以高效准确地计算单相三元扩散偶随成分变化的互扩散系数, 还能很好地解决传统方法不能处理的情况, 如扩散通道上无交点的扩散偶和有限长 (或薄膜型) 扩散偶等.

本文引用格式

刘远荣 , 陈伟民 , 汤颖 , 杜勇 , 张利军 . 实用型数值回归法在三元铝合金互扩散系数计算中的应用*[J]. 金属学报, 2016 , 52(8) : 1009 -1016 . DOI: 10.11900/0412.1961.2015.00541

Abstract

Owing to excellent mechanical properties, Al alloys are widely used in aerospace, automotive and civil industry. In order to optimize the properties and performance of the currently used Al alloys and/or even design novel Al alloys, the quantitative description of the microstructure during alloys preparation is the key. In recent years, the phase-field simulation coupling with the CALPHAD thermodynamic and atomic mobility databases has become an effective way to quantitatively simulate the microstructure evolution. So far, the accurate thermodynamic database for Al alloys has been established. However, it is not the case for atomic mobility database for Al alloys. The major obstacle lies in the lack of reliable diffusion coefficients in ternary and higher-order Al alloys, and thus there is an urgent need to remedy this situation. In this work, several semi-infinite and finite (thin film) single-phase solid-state diffusion couples in bcc Al-Fe-Mn and fcc Al-Cu-Ni alloys were first prepared. The concentration profiles for all the diffusion couples were then measured by means of EPMA. After that, the pragmatic numerical inverse method, which has been recently developed for high-throughput determination of the interdiffusion coeffi cients in ternary system and validated in several systems, was employed to compute the composition-dependent interdiffusivities in the corresponding systems at 1273 K. In order to eliminate the possibility that different interdiffusivities at the same composition would be obtained from different sets of diffusion couples, only one set of adjustable parameters was used for one system. All the obtained interdiffusivities satisfy the thermodynamic constrains. On the basis of the determined interdiffusivities as well as Fick's second law, all the experimental concentration profiles were reproduced nicely via numerical simulation, which verifies the reliability of the determined interdiffusivities. The further analysis indicates that the pragmatic numerical inverse method can not only realize the determination of reliable composition-dependent interdiffusion coefficients in ternary diffusion couples, but also cover the cases which cannot be dealt with by the traditional Matano-Kirkaldy method, such as the diffusion couples without intersection along their diffusion paths, and the finite (thin film) diffusion couples. In addition, the comparison between the interdiffusivities from semi-infinite diffusion couples and those from finite (thin film) diffusion couples was made, and the probable reason for their difference was also pointed out. All the presently obtained interdiffusivities in bcc Al-Fe-Mn and fcc Al-Cu-Ni alloys will be utilized to develop the accurate atomic mobility databases in ternary Al-Fe-Mn and Al-Cu-Ni systems in the next step.

参考文献

[1] Zhang X M, Liu S D.Mater China, 2013; 32(1): 39
[1] (张新明, 刘胜胆. 中国材料进展, 2013; 32(1): 39)
[2] Zhang X M, Deng Y L, Zhang Y.Acta Metall Sin, 2015; 51: 257
[2] (张新明, 邓运来, 张勇. 金属学报, 2015; 51: 257)
[3] Cao D J, Ta N, Du Y, Zhang L J.Mater China, 2015; 34(1): 50
[3] (曹东甲, 塔娜, 杜勇, 张利军.中国材料进展, 2015; 34(1): 50)
[4] Wei M, Tang Y, Zhang L J, Sun W H, Du Y.Metall Mater Trans, 2015; 46A: 3182
[5] Zhang L J, Stratmann M, Du Y, Sundman B, Steinbach I.Acta Mater, 2015; 88: 156
[6] Du Y, Liu S, Zhang L, Xu H, Zhao D, Wang A, Zhou L.Calphad, 2011; 35: 427
[7] Du Y, Zhang L, Cui S, Zhao D, Liu D, Zhang W, Sun W, Jie W.Sci China Technol Sci, 2012; 55: 306
[8] Liu M, Zhang L J, Chen W M, Xin J H, Du Y, Xu H H.Calphad, 2013; 41: 108
[9] Chen J, Zhang C, Wang J, Chen W M, Tang Y, Zhang L J, Du Y.Calphad, 2015; 50: 118
[10] Li J, Chen W, Liu D, Sun W, Zhang L, Du Y, Xu H.J Phase Equilib Diffusion, 2013; 34: 484
[11] Li J, Liu T, Chen W, Wang S, Zhang L, Du Y, Xu H.J Min Metall B-Metall, 2014; 50: 93
[12] Kirkaldy J S, Lane J E, Masson G R.Can J Phys, 1963; 41: 2174
[13] Kirkaldy J S, Young D J.Diffusion in the Condensed State. London: Institute of Metals, 1987: 41
[14] Zhang L, Liu D, Zhang W, Wang S, Tang Y, Ta N, Wei M, Du Y.In: Marthinsen K, Holmedal B, Li Y eds., Material Science Forum, Zurich: Trans Tech Publications, 2014: 611
[15] Kaufman L, ?gren J.Scr Mater, 2014; 70: 3
[16] Olson G B, Kuehmann C J.Scr Mater, 2014; 70: 25
[17] Dayananda M A, Sohn Y H.Metall Mater Trans, 1999; 30A: 535
[18] Zhang D, Morral J E, Brody H D.Mater Sci Eng, 2007; A447: 217
[19] Jaques A V, LaCombe J C.J Phase Equilib Diff, 2012; 33: 181
[20] Paul A.Philos Mag, 2015; 93: 2297
[21] Cheng K, Chen W, Liu D, Zhang L, Du Y.Scr Mater, 2014; 76: 5
[22] Chen W M, Zhang L J, Du Y, Tang C Y, Huang B Y. Scr Mater, 2014; 90-91: 53
[23] Xu H X, Chen W M, Zhang L J, Du Y, Tang C Y.J Alloy Compd, 2015; 644: 687
[24] Liu M. Master Thesis Central South University Changsha, 2014
[24] (柳萌. 中南大学硕士学位论文, 长沙, 2014)
[25] Andersson J O, ?gren J.J Appl Phys, 1992; 72: 1350
[26] Manning J R.Metall Trans, 1970; 1B: 499
[27] Dayananda M A.Metall Trans, 1983; 14A: 1851
[28] Léchelle J, Noyau S, Aufore L, Arredondo A, Audubert F.Diffu Fundam Org, 2012; 17(2): 1
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