详细分析了二元铝-稀土金属间化合物的形成焓的Miedema计算值和文献报道数据的误差分布.结果表明,计算值相比于文献中实验数据普遍呈现负偏差.为此,计算研究中需要针对铝-稀土元素重要的影响因子--稀土原子与铝原子的半径比来修正热力学计算模型.对铝-稀土金属间化合物的系列计算结果及其误差分析说明,修正的Miedema模型计算值更加接近实验值,误差由原来的36%缩小到目前的5%.并利用MTDATA热力学计算软件部分验算计算结果,证明依据新模型的热力学计算预测更加准确可靠.用新模型计算了常见的铝-稀土金属间化合物的形成焓,同时也计算了Al-Er,Al-Tb,Al-Gd 等研究数据缺乏的铝-稀土金属间化合物的形成焓.
The error distribution between Miedema-calculated values and reference-reported values for formation enthalpies of binary Al-RE intermetallics was analyzed and it is known that the calculated results are commonly negative compared with those in references. Therefore, an important influencing factor, radius ratio of RE atom to aluminum atom should be considered to modify the thermodynamic calculation model in the study. The calculation results of the modified model are more closed to the reported experiment results and the error was found to be reduced from 33.6% to 5%. The enthalpies of some common intermetallics of aluminum and rare earth were also checked by MTDATA for comparison. All that proved the modified calculating model are much more accurate and reliable. The common formation enthalpies of intermetallics of aluminum and rare earth as well as Al-Er, Al-Tb, Al-Gd, which are studied less, are calculated by the modified Miedema model.
参考文献
| [1] | Keith E;Knipling David C Dunand;David N Seidman .[J].Zeitschrift Fur Metallkunde,2006,97:246. |
| [2] | 付静波,聂祚仁,杨军军,金头男,邹景霞,左铁镛.含铒先进铝合金[J].稀有金属,2005(04):558-562. |
| [3] | Vijaya Singh;K. Satya Prasad;Amol A. Gokhale .Effect of minor Sc additions on structure, age hardening and tensile properties of aluminium alloy AA8090 plate[J].Scripta materialia,2004(6):903-908. |
| [4] | 张作贵,刘相法,边秀房,马家骥.AlTiB中间合金中的化合物形态[J].中国有色金属学报,1999(04):736-739. |
| [5] | Esmaeili S;Lloyd D J .[J].ACTA MATERIALIA,2005,53:5257. |
| [6] | 李绍禄,潘青林,陈显明.Sc和Ti复合微合金化对Al-Mg合金对AL-MG合金组织与性能的影响[J].兵器材料科学与工程,2003(01):11-15. |
| [7] | 杨军军,徐国富,聂祚仁,尹志民.微量Er对高强铝合金组织与性能的影响[J].特种铸造及有色合金,2006(07):393-396. |
| [8] | 路贵民 .[J].有色金属,1999,51(02):76. |
| [9] | 余胜文,王为,徐赫,刘丽,聂祚仁.Al-Mg-Sc合金中热力学平衡相的计算[J].中国有色金属学报,2006(03):505-510. |
| [10] | 余胜文,王为,杨军军,邹景霞,聂祚仁.Al-5Mg-Er合金中Al3Er相的析出及其热力学计算分析[J].中国稀土学报,2006(04):470-474. |
| [11] | Xing-Qiu Chen;W. Wolf;R. Podloucky .Comment on "Enthalpies of formation of binary Laves phases" [Intermetallics, 10 (2002) 579-595][J].Intermetallics,2004(1):59-62. |
| [12] | Niessen A K;deBoer F R;Boon B et al.[J].Caphad,1983,17:51. |
| [13] | de Boer F R;Boom R;Mattens W C M.Cohesion in Metals,Transition Metal Alloys[M].Amsterdam:North-Holland Publishing Company,1988:42. |
| [14] | Villars P;Calvert L D.Pearson's Handbook of Crystal-lograohic Data for Intermetallic Phases[M].Materials Park,OH:ASM International,1991 |
| [15] | Sommer F;Keita M;Krull H G et al.[J].Journal of the Less-Common Metals,1988,137:267. |
| [16] | Colinet C;Pasturel A;Buschow K H J .[J].Journal of Chemical Thermodynamics,1985,17:1133. |
| [17] | Jung W G;Kleppa O J;Topor L .[J].Journal of Alloys and Compounds,1991,171:309. |
| [18] | Saccone A;Cacciamani G et al.[J].Intermetallics,1998,6:201. |
| [19] | Colinet C .[J].Journal of Alloys and Compounds,1995,225:409. |
| [20] | Gabriella Borzone;Mnna Maria Cardinale;Nadia Parodi .[J].Journal of Alloys and Compounds,1997,247:141. |
| [21] | Colinet C;Pasturel A;Hicter P .[J].Physica B,1985,128:5. |
| [22] | Sommer F;Keit M .[J].Journal of the Less-Common Metals,1987,136:95. |
| [23] | Borzone G;Cacciamani G;Ferro R .[J].Metallurgical and Materials Transactions A:Physical Metallurgy and Materials Science,1991,22:2119. |
| [24] | Meschel S V;Kleppa O J;Faulkner J S;Jordan R G.Experimental and Theoretical Perspectives[M].Kluwer,Dordrecht,1994:103. |
| [25] | Borzone G;Cacciamani G;Ferro R .[J].Zeitschrift fur Metallkunde,1993,84:635. |
| [26] | Pyagai I N;Vakhodov A V .[J].METALL,1990,5:50. |
| [27] | Borzone G;Cardinale A M;SAccone A et al.[J].Journal of Alloys and Compounds,1995,220:122. |
| [28] | Pyagai I N;Vakhodov A V.[J].Russian Metallurgy,1990(05):50. |
| [29] | Caccianani G;Riani P;Borzone G .[J].INTERMETALLICS,1999,7:101. |
| [30] | 宁远涛;周新铭 .[J].金属学报,1992,28(03):96. |
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