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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
Source PublicationMATERIALS & DESIGN
ISSN0264-1275
Volume110Pages:80-89
AbstractThe 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.
description.department[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
KeywordPhase Stability Elastic Properties Titanium Alloys First-principles Calculations
Subject AreaMaterials Science, Multidisciplinary
Funding OrganizationChinese MoST [2014CB644001]; Nature and Science Foundation of China [51171187, 51271181]; Shandong Provincial Natural Science Foundation, China [ZR2014JL031]
Indexed Bysci
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/76179
Collection中国科学院金属研究所
Corresponding AuthorHu, QM (reprint author), Chinese Acad Sci, Inst Met Res, Wenhua Rd 72, Shenyang 110016, Peoples R China.
Recommended Citation
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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