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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
Yantai Univ, Sch Environm & Mat Engn, Qingquan Rd 30, Yantai 264005, Peoples R China..
Yantai Univ, Sch Environm & Mat Engn, Qingquan Rd 30, Yantai 264005, Peoples R China..
Yantai Univ, Sch Environm & Mat Engn, Qingquan Rd 30, Yantai 264005, Peoples R China.;Chinese Acad Sci, Inst Met Res, Wenhua Rd 72, Shenyang 110016, Peoples R China..
Chinese Acad Sci, Inst Met Res, Wenhua Rd 72, Shenyang 110016, Peoples R China.;Northeastern Univ, Sch Mat Sci & Engn, Wenhua Rd 3-11, Shenyang 110819, Peoples R China.;Shenyang Univ Technol, Sch Informat Sci & Engn, Shenliao West Rd 111, Shenyang 110870, Peoples R China..
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2016 (English)In: Materials & design, ISSN 0264-1275, E-ISSN 1873-4197, Vol. 110, 80-89 p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2016. Vol. 110, 80-89 p.
Keyword [en]
Phase stability, Elastic properties, Titanium alloys, First-principles calculations
National Category
Materials Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-307511DOI: 10.1016/j.matdes.2016.07.120ISI: 000385600800009OAI: oai:DiVA.org:uu-307511DiVA: diva2:1048208
Available from: 2016-11-21 Created: 2016-11-17 Last updated: 2016-11-21Bibliographically approved

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