合金化对β钛合金热膨胀系数的影响:第一性原理研究

被引:5
作者
罗湖斌
胡青苗
杨锐
机构
[1] 中国科学院金属研究所沈阳材料科学国家实验室
关键词
钛合金; 热膨胀; 准谐近似; 第一性原理; 德拜模型;
D O I
10.19476/j.ysxb.1004.0609.2010.s1.084
中图分类号
TG146.23 [];
学科分类号
080502 ;
摘要
使用德拜模型和准谐近似,结合第一性原理方法,考察Nb、Zr、Sn加入对beta钛合金热膨胀系数的影响。研究表明;Nb对beta钛合金的热膨胀系数有较大的影响,而Zr、Sn的加入对热膨胀系数影响很小;beta钛合金热膨胀系数的变化主要源于合金元素对体系体模量的影响;体模量升高,体系热膨胀系数降低;但当体模量随成分变化较小时(如Zr、Sn),其它因素如体积因素的共同作用将使体系的热膨胀系数变化趋于复杂。
引用
收藏
页码:399 / 403
页数:5
相关论文
共 15 条
[1]  
Coherent-potential model of substitutional disordered alloys. SOVEN P. Physical Review . 1967
[2]  
Collings,EW. Applied superconductivity, metallurgy, and physics of titanium alloys . 1986
[3]  
Coherent-Potential Approximation for a Nonoverlapping Muffin-Tin-Potential Model of Random Substitutional Alloys. B.L. Gyorffy. Physical Review B Condensed Matter and Materials Physics . 1972
[4]  
Calculated Thermal-Properties of Metals. VL Moruzzi,JF Janak,K Schwarz. Physical Review B Condensed Matter and Materials Physics . 1988
[5]  
Super-elastic titanium alloy with unstable plastic deformation. Y.L.Hao,S.J.Li,S.Y.Sun, et al. Applied Physics Letters . 2005
[6]  
Generalized gradient approximation made simple. Perdew JP,Burke K,Ernzerhof M. Physical Review . 1996
[7]  
A simplified method for calculating the Debye temperature from elastic constants. Anderson,OL. Journal of Physics . 1963
[8]  
The role of defects on thermophysical properties:thermal expansion of V,Nb,Ta,Mo and W. Wang K,Reeber Robert R. Journal of Materials Science . 1998
[9]  
Anisotropic lattice distortions in random alloys from first-pinciples theory. VITOS L,ABRIKOSOV I A,JOHANSSON B. Physical Review . 2001
[10]  
Computational quantum mechanics for materials engineers. VITOS L. . 2007