采用赝势平面波方法和广义梯度近似对Ti-25at%Nb合金中不同晶体结构β、α"和ω相的弹性常数、内聚能以及电子结构进行了计算,并结合计算结果对β、α"和ω相的结构稳定性进行了讨论.计算结果表明,Ti-25at%Nb合金中β、α"和ω相均满足其结构弹性稳定性要求,其中α"相的结构稳定性最高,而β相的结构稳定性最低;计算结果同时表明,Ti-25at%Nb合金中ω相具有最高弹性模量,β相则具有最低弹性模量.
参考文献
| [1] | Saito T.;Furuta T.;Hwang JH.;Kuramoto S.;Nishino K.;Suzuki N.;Chen R.;Yamada A.;Ito K.;Seno Y.;Nonaka T.;Ikehata H.;Nagasako N. Iwamoto C.;Ikuhara Y.;Sakuma T. .Multifunctional alloys obtained via a dislocation-free plastic deformation mechanism[J].Science,2003(5618):464-467. |
| [2] | Miyazaki S;Kim H Y;Hosoda H .[J].Materials Science and Engineering A:Structural Materials Properties Microstructure and Processing,2006,438-440:18. |
| [3] | Kim H Y;Ikehara Y;Kim J I et al.[J].Acta Materialia,2006,54:2419. |
| [4] | Ping D H;Cui C Y;Yin F X et al.[J].Scripta Materialia,2006,54:1305. |
| [5] | Kim H Y;Sasaki T;Okutsu K et al.[J].Acta Materialia,2006,54:423. |
| [6] | Villars P.Pearson's Handbook of Crystallographic Data for Intermetallic Phases[M].Ohio:Materials Park,1991:2875. |
| [7] | Moffat D L;Larbalestier D C .[J].Metallurgical and Materials Transactions A:Physical Metallurgy and Materials Science,1988,19:1677. |
| [8] | Errandonea D;Meng Y;Somayazulu M;Hausermann D .Pressure-induced alpha ->omega transition in titanium metal: a systematic study of the effects of uniaxial stress[J].Physica, B. Condensed Matter,2005(1/4):116-125. |
| [9] | Lee Y T;Welsch Ca .[J].Materials Science and Engineering A:Structural Materials Properties Microstructure and Processing,1990,128:77. |
| [10] | Hao Y L;Niinomi M;Kuroda D et al.[J].Metallurgical and Materials Transactions A:Physical Metallurgy and Materials Science,2002,33:3137. |
| [11] | Lee N T S;Tan V B C;Lira K M .[J].Applied Physics Letters,2006,88:31913. |
| [12] | 彭平,韩绍昌,郑采星,刘让苏,金涛,胡壮麒.Ni基合金γ/γ'相界Ir合金化时结构特性的第一原理研究[J].稀有金属材料与工程,2005(06):854-858. |
| [13] | 庄厚龙,彭平,周惦武,刘金水.B2型Y基金属间化合物YX（X=Ag,Cu,In,Rh）延性预测[J].稀有金属材料与工程,2006(02):247-252. |
| [14] | Vanderbilt D .[J].Physical Review B:Condensed Matter,1990,41:7892. |
| [15] | Perdew J P;Burke K;Ernzerhof M .[J].Physical Review Letters,1996,77:3865. |
| [16] | Fischer T H;Almlof J .[J].Journal of Physical Chemistry,1992,96:9768. |
| [17] | Ikehata H;Nagasako N;Furuta T et al.[J].Physical Review B:Condensed Matter,2004,70:174 113. |
| [18] | Born M;Huang K.Dynamical Theory of Crystal Lattices[M].Oxford:clarendon Press,1954:141. |
| [19] | Anderson O L .[J].Journal of Physics and Chemistry of Solids,1963,24:909. |
| [20] | Hong T;Watson-Yang T J;Freeman A J et al.[J].Physical Review B,1990,41:12 462. |
| [21] | 姚强;邢辉;郭文渊 et al.[J].中国生物医学工程学报,2008,18(01):126. |
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