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First-principles study of phase stability and elastic properties of binary Ti-xTM (TM = V,Cr,Nb,Mo) and ternary Ti-15TH-yAl alloys
Zhang, SZ; Cui, H; Li, MM; Yu, H; Vitos, L; Yang, R; Hu, QM; Hu, QM (reprint author), Chinese Acad Sci, Inst Met Res, Wenhua Rd 72, Shenyang 110016, Peoples R China.
2016-11-15
发表期刊MATERIALS & DESIGN
ISSN0264-1275
卷号110页码:80-89
摘要The phase stability and elastic property of binary Ti-chi TM (TM=V, Cr, Nb, Mo) and ternary Ti-15TH-yAl alloys are investigated systematically by using a first-principles method. The coherent potential approximation is employed to describe the random distribution of the alloying atoms in the alloys. We show that the transition metal (TM) elements V, Cr, Nb, Mo increase the elastic stability of the beta phase but decreases that of the a phase. The polycrystalline bulk modulus of the a phase increases with the concentration of the TM alloying elements whereas the Young's modulus and shear modulus are weakened. For the beta phase, all the polycrystalline elastic moduli hardens with the addition of the TM alloying elements. The influence of the simple metal (SM) element Al on the elastic properties is much weaker than the TM ones. The TM alloying elements increase the stability of the beta relative to the alpha and omega phases. Al stabilizes significantly the beta phase over the omega phase. Our calculations suggest that the d electron density dominates the elastic modulus but not the relative phase stability. The interaction between the TM and SM alloying elements in titanium alloys matters to the relative stability. (C) 2016 Elsevier Ltd. All rights reserved.
部门归属[zhang, shang-zhou ; cui, hao ; li, ming-man] yantai univ, sch environm & mat engn, qingquan rd 30, yantai 264005, peoples r china ; [li, ming-man ; yu, hui ; yang, rui ; hu, qing-miao] chinese acad sci, inst met res, wenhua rd 72, shenyang 110016, peoples r china ; [yu, hui] northeastern univ, sch mat sci & engn, wenhua rd 3-11, shenyang 110819, peoples r china ; [yu, hui] shenyang univ technol, sch informat sci & engn, shenliao west rd 111, shenyang 110870, peoples r china ; [vitos, levente] royal inst technol, dept mat sci & engn, se-10044 stockholm, sweden ; [vitos, levente] uppsala univ, dept phys, pob 516, se-75120 uppsala, sweden ; [vitos, levente] res inst solid state phys & opt, pob 49, h-1525 budapest, hungary
关键词Phase Stability Elastic Properties Titanium Alloys First-principles Calculations
学科领域Materials Science, Multidisciplinary
资助者Chinese MoST [2014CB644001]; Nature and Science Foundation of China [51171187, 51271181]; Shandong Provincial Natural Science Foundation, China [ZR2014JL031]
收录类别sci
语种英语
文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/76179
专题中国科学院金属研究所
通讯作者Hu, QM (reprint author), Chinese Acad Sci, Inst Met Res, Wenhua Rd 72, Shenyang 110016, Peoples R China.
推荐引用方式
GB/T 7714
Zhang, SZ,Cui, H,Li, MM,et al. First-principles study of phase stability and elastic properties of binary Ti-xTM (TM = V,Cr,Nb,Mo) and ternary Ti-15TH-yAl alloys[J]. MATERIALS & DESIGN,2016,110:80-89.
APA Zhang, SZ.,Cui, H.,Li, MM.,Yu, H.,Vitos, L.,...&Hu, QM .(2016).First-principles study of phase stability and elastic properties of binary Ti-xTM (TM = V,Cr,Nb,Mo) and ternary Ti-15TH-yAl alloys.MATERIALS & DESIGN,110,80-89.
MLA Zhang, SZ,et al."First-principles study of phase stability and elastic properties of binary Ti-xTM (TM = V,Cr,Nb,Mo) and ternary Ti-15TH-yAl alloys".MATERIALS & DESIGN 110(2016):80-89.
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