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First principles estimation of bulk modulus and theoretical strength of titanium alloys
Song, Y; Yang, R; Guo, ZX
Corresponding AuthorSong, Y()
2002-12-01
Source PublicationMATERIALS TRANSACTIONS
ISSN1345-9678
Volume43Issue:12Pages:3028-3031
AbstractTitanium alloys are favorable implant materials for medical applications, due to their desirable mechanical properties and biochemical compatibility. However, current bio-titanium alloys were formulated principally by trial and error, which by no means represents the optimum. Here a theoretical investigation of the influence of alloying elements and interstitial elements on the bulk modulus and theoretical strength of alpha-titanium was presented. The bulk modulus and theoretical strength were estimated from the binding energy against the unit cell volume curves calculated by means of first principles discrete variational cluster method. The results of the calculation suggested that the 3d elements Cr, Mn, Fe, and Co, as well as all the interstitial elements considered in this study (H, B, C, N and O), are capable of enhancing the relative admissible strain of alpha-titanium.
Keywordbulk modulus theoretical strength titanium alloy biomedical application
Indexed BySCI
Language英语
WOS Research AreaMaterials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectMaterials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000180681300018
PublisherJAPAN INST METALS
Citation statistics
Cited Times:11[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/114412
Collection中国科学院金属研究所
Corresponding AuthorSong, Y
Affiliation1.Univ London Queen Mary & Westfield Coll, Dept Mat, London E1 4NS, England
2.Chinese Acad Sci, Met Res Inst, Titanium Alloy Lab, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Song, Y,Yang, R,Guo, ZX. First principles estimation of bulk modulus and theoretical strength of titanium alloys[J]. MATERIALS TRANSACTIONS,2002,43(12):3028-3031.
APA Song, Y,Yang, R,&Guo, ZX.(2002).First principles estimation of bulk modulus and theoretical strength of titanium alloys.MATERIALS TRANSACTIONS,43(12),3028-3031.
MLA Song, Y,et al."First principles estimation of bulk modulus and theoretical strength of titanium alloys".MATERIALS TRANSACTIONS 43.12(2002):3028-3031.
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