First principles estimation of bulk modulus and theoretical strength of titanium alloys

IMR OpenIR

	First principles estimation of bulk modulus and theoretical strength of titanium alloys
	Song, Y ; Yang, R ; Guo, ZX
通讯作者	Song, Y()
	2002-12-01
发表期刊	MATERIALS TRANSACTIONS
ISSN	1345-9678
卷号	43 期号:12 页码:3028-3031
摘要	Titanium 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.
关键词	bulk modulus theoretical strength titanium alloy biomedical application
收录类别	SCI
语种	英语
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000180681300018
出版者	JAPAN INST METALS
引用统计	被引频次：14[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/114412
专题	中国科学院金属研究所
通讯作者	Song, Y
作者单位	1.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
推荐引用方式 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.