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为体现固溶体合金中的溶质原子产生的化学短程序,文章提出了配位数为14的团簇在体心立方(bcc)点阵中的堆垛模式,并建立了基于bcc结构的团簇+连接原子结构模型,用团簇成分式[团簇](连接原子)x表述. 此模型中,与基体组元具有相对大的负混合焓的溶质原子占据团簇心部,其他原子作为连接或者替代团簇壳层基体原子. 1 ∶1结构模型[团簇](连接原子)1由于最大程度地保证了团簇与连接原子的近邻,构成了连接原子最有效的合金化方式. 在两个实用bcc固溶体合金体系中, 1 ∶1模型指导设计了低V含量的储氢合金 V1和低弹性模量高强度的 Nb1合金.
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关键词:
- 体心立方固溶体成分设计 /
- 团簇+连接原子结构模型 /
- Ti-Cr-V合金 /
- Ti-Zr-Mo-Nb合金
In the present work we propose the cluster-plus-glue-atom model for bcc solid solutions by establishing periodic packing geometries of CN14 basic clusters in bcc lattice to reflect the idealized chemical short-range order near solute atoms. The model is expressed by cluster formula (glue)x, where the cluster center is occupied by a solute having the largest negative enthalpy, mixed with the solvent, and other solute atoms serves as glues or substitute for the solvents in cluster shell. The 1 ∶1 cluster model (glue atom)1 is specially emphasized that guarantees to a maximum extent the glue-cluster nearest neighbors and hence forms a most efficient configuration. This 1 ∶1 model is conducible to the design of a low-V hydrogen-storage V1 alloy and a Nb1 alloy with low Youngs modulus combined with high strength.-
Keywords:
- composition design of BCC solid solutions /
- cluster-plus-glue-atom model /
- Ti-Cr-V alloys /
- Ti-Zr-Mo-Nb alloys
[1] Leyens C, Peters M (Translated by Chen Z H) 2005 Titanium and Titanium Alloys (Beijing: Chemical Techonology Press) pp32-48 [莱茵斯C、皮特尔斯M著 (陈振华译) 2005 钛与钛合金 (北京: 化学工业出版社) 第32-48页]
[2] Hao Y L, Li S J, Yang R 2007 U. S. Patent 20070137742
[3] [4] Okada M, Kuriiwa T, Tamura T, Takamura H, Kamegawa A 2002 J. Alloys Compd. 330 511
[5] [6] Abdel-Hady M, Hinoshita K, Morinaga M 2006 Scripta Mater. 55 477
[7] [8] [9] Bania P J In : Eylon D, Boyer R R, Koss D A(eds.) 1993 Beta Titanium Alloys in the 1990s Warrendale PA: TMS p6
[10] [11] Wei S Q, Yin S L, Liu W H, Liu F X, Gao S, Yang Y Z, Dong Y D, Hu T D 1994 Acta Phys. Sin. 43 1630 (in Chinese) [韦世强、殷士龙、刘文汉、刘方新、高 琛、杨元政、董远达、胡天斗 1994 物理学报 43 1630]
[12] [13] Yan W S, Fan J W, Li Y Z, Cui H B, Liu W H, Zhang X Y, Wei S Q 2001 Acta Phys. Sin. 50 758 (in Chinese) [闫文胜、范江玮、李玉芝、崔宏滨、刘文汉、张新夷、韦世强 2001 物理学报 50 758]
[14] [15] Zhang J, Wang Q, Wang Y M, Li C Y, Wen L S, Dong C 2010 J. Mater. Res. 25 328
[16] Dong C, Wang Q, Qiang J B, Wang Y M, Jiang N, Han G, Li Y H, Wu J, Xia J H 2007 J. Phys. D: Appl. Phys. 40 R273
[17] [18] [19] Wang Q, Qiang J B, Wang Y M, Xia J H, Lin Z, Zhang X F, Dong C 2006 Acta Phys. Sin. 55 378 (in Chinese) [王 清、羌建兵、王英敏、夏俊海、林 哲、张新房、董 闯 2006 物理学报 55 378]
[20] [21] Miracle D B, Sanders W S, Senkov O N 2003 Phil. Mag. 83 2409
[22] Singh J, Singh P, Rattan S K, Prakash S 1994 Phys. Rev. B 49 932
[23] [24] Takeuchi A, Inoue A 2005 Mater. Trans. 46 2817
[25] [26] Ma R T, Hao C P, Wang Q, Ren M F, Wang Y M, Dong C 2010 Acta Metall. Sin. 46 1034 (in Chinese) [马仁涛、郝传璞、王 清、任明法、王英敏、董 闯 2010 金属学报 46 1034]
[27] [28] [29] Xu L J, Chen Y Y, Liu Z G, Kong F T 2008 J. Alloys Compd. 453 320
[30] [31] Huang L J 2006 Ph. D Dissertation (Beijing Institute of Aeronautical Material) (in Chinese) [黄利军 2006 博士学位论文 (北京: 航空材料研究院) ]
[32] [33] Martins D Q, Osorio W R, Souza M E P, Caram R, Garcia A 2008 Electrochim. Acta 53 2809
[34] [35] Akiba E, Iba H 1998 Intermetallics 6 461
[36] [37] Kabutomori T, Takeda H, Wakisaka Y, Ohnishi K 1995 J. Alloys Compd. 231 528
[38] Yan Y G 2007 Ph. D. Dissertation (Chengdu: Sichuan University) (in Chinese) [严义刚 2007 博士学位论文 (成都: 四川大学) ]
[39] [40] Wang H B, Wang Q, Dong C, Yuan L, Xu F, Sun L X 2008 J. Phys.: Condens. Matter 20 114110
[41] [42] [43] Leyens C, Peters M (translated by Chen Z H) 2005 Titanium and Titanium Alloys (Beijing: Chemical Techonology Press) pp369 [莱茵斯C、皮特尔斯M著 (陈振华译) 2005 钛与钛合金 (北京: 化学工业出版社) 第369页]
[44] Yao Q, Xing H, Meng L J, Sun J 2008 Acta Metall. Sin. 44 19 (in Chinese) [姚 强、邢 辉、孟丽君、孙 坚 2008 金属学报 44 19]
[45] -
[1] Leyens C, Peters M (Translated by Chen Z H) 2005 Titanium and Titanium Alloys (Beijing: Chemical Techonology Press) pp32-48 [莱茵斯C、皮特尔斯M著 (陈振华译) 2005 钛与钛合金 (北京: 化学工业出版社) 第32-48页]
[2] Hao Y L, Li S J, Yang R 2007 U. S. Patent 20070137742
[3] [4] Okada M, Kuriiwa T, Tamura T, Takamura H, Kamegawa A 2002 J. Alloys Compd. 330 511
[5] [6] Abdel-Hady M, Hinoshita K, Morinaga M 2006 Scripta Mater. 55 477
[7] [8] [9] Bania P J In : Eylon D, Boyer R R, Koss D A(eds.) 1993 Beta Titanium Alloys in the 1990s Warrendale PA: TMS p6
[10] [11] Wei S Q, Yin S L, Liu W H, Liu F X, Gao S, Yang Y Z, Dong Y D, Hu T D 1994 Acta Phys. Sin. 43 1630 (in Chinese) [韦世强、殷士龙、刘文汉、刘方新、高 琛、杨元政、董远达、胡天斗 1994 物理学报 43 1630]
[12] [13] Yan W S, Fan J W, Li Y Z, Cui H B, Liu W H, Zhang X Y, Wei S Q 2001 Acta Phys. Sin. 50 758 (in Chinese) [闫文胜、范江玮、李玉芝、崔宏滨、刘文汉、张新夷、韦世强 2001 物理学报 50 758]
[14] [15] Zhang J, Wang Q, Wang Y M, Li C Y, Wen L S, Dong C 2010 J. Mater. Res. 25 328
[16] Dong C, Wang Q, Qiang J B, Wang Y M, Jiang N, Han G, Li Y H, Wu J, Xia J H 2007 J. Phys. D: Appl. Phys. 40 R273
[17] [18] [19] Wang Q, Qiang J B, Wang Y M, Xia J H, Lin Z, Zhang X F, Dong C 2006 Acta Phys. Sin. 55 378 (in Chinese) [王 清、羌建兵、王英敏、夏俊海、林 哲、张新房、董 闯 2006 物理学报 55 378]
[20] [21] Miracle D B, Sanders W S, Senkov O N 2003 Phil. Mag. 83 2409
[22] Singh J, Singh P, Rattan S K, Prakash S 1994 Phys. Rev. B 49 932
[23] [24] Takeuchi A, Inoue A 2005 Mater. Trans. 46 2817
[25] [26] Ma R T, Hao C P, Wang Q, Ren M F, Wang Y M, Dong C 2010 Acta Metall. Sin. 46 1034 (in Chinese) [马仁涛、郝传璞、王 清、任明法、王英敏、董 闯 2010 金属学报 46 1034]
[27] [28] [29] Xu L J, Chen Y Y, Liu Z G, Kong F T 2008 J. Alloys Compd. 453 320
[30] [31] Huang L J 2006 Ph. D Dissertation (Beijing Institute of Aeronautical Material) (in Chinese) [黄利军 2006 博士学位论文 (北京: 航空材料研究院) ]
[32] [33] Martins D Q, Osorio W R, Souza M E P, Caram R, Garcia A 2008 Electrochim. Acta 53 2809
[34] [35] Akiba E, Iba H 1998 Intermetallics 6 461
[36] [37] Kabutomori T, Takeda H, Wakisaka Y, Ohnishi K 1995 J. Alloys Compd. 231 528
[38] Yan Y G 2007 Ph. D. Dissertation (Chengdu: Sichuan University) (in Chinese) [严义刚 2007 博士学位论文 (成都: 四川大学) ]
[39] [40] Wang H B, Wang Q, Dong C, Yuan L, Xu F, Sun L X 2008 J. Phys.: Condens. Matter 20 114110
[41] [42] [43] Leyens C, Peters M (translated by Chen Z H) 2005 Titanium and Titanium Alloys (Beijing: Chemical Techonology Press) pp369 [莱茵斯C、皮特尔斯M著 (陈振华译) 2005 钛与钛合金 (北京: 化学工业出版社) 第369页]
[44] Yao Q, Xing H, Meng L J, Sun J 2008 Acta Metall. Sin. 44 19 (in Chinese) [姚 强、邢 辉、孟丽君、孙 坚 2008 金属学报 44 19]
[45]
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