Design, preparation and properties of biomedical Ti-Nb quaternary alloys with high strength and low modulus: Insights from first-principles calculations

doi:10.1016/j.jmrt.2024.10.190

IMR OpenIR

	Design, preparation and properties of biomedical Ti-Nb quaternary alloys with high strength and low modulus: Insights from first-principles calculations
	Chen, Huaihao 1,2; Hu, Shiwen 3; Liu, Zhuang 4; Zhong, Huaiyu 2; Cao, Yu 5; Shen, Yong 6; Wang, Lixin 7; Deng, Linhong 5
通讯作者	Deng, Linhong(dlh@cczu.edu.cn)
	2024-11-01
发表期刊	JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
ISSN	2238-7854
卷号	33 页码:5629-5642
摘要	In this paper, we designed and developed biomedical beta-type Ti-Nb quaternary alloy materials with high strength and low modulus. Building upon the d-electron alloy design method and the valence electron concentration e/a method, we use a Python program and thermodynamic theoretical parameters to determine a Ti-Nb quaternary alloy with the characteristics of a single-phase solid solution. Subsequently, we engage in theoretical and experimental investigations on the low modulus alloys identified through first-principles calculations. The results show that both Ti7Nb6Zr1Al2 and Ti11Nb2Ta2Al1 maintain a single beta phase before and after cold rolling, which is related to the strong electronic density of states of s and p orbitals at low energy levels in the crystal structure of the two alloys. Ti11Nb2Ta2Al1 has a strong charge distribution on the (001) crystal plane, which causes a large amount of internal stress under large deformation conditions to promote grain crushing and weaken the intensity of the (001)[1-10] texture in the ODF diagram of phi phi 2 = 45 degrees. The cold-rolled Ti11Nb2Ta2Al1 exhibits better corrosion resistance and biocompatibility than the cold-rolled Ti7Nb6Zr1Al2, and the good biocompatibility is related to the strong covalent bond between Al and Ta that inhibits the diffusion of Al ions. 90% cold-rolled Ti11Nb2Ta2Al1 stands out as an exceptionally promising orthopedic implant material due to its high elastic allowable strain (ReH/E), good corrosion resistance and biocompatibility.
关键词	First-principles High strength Low modulus Cold rolling Biocompatibility
资助者	National Natural Science Foundation of China
DOI	10.1016/j.jmrt.2024.10.190
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[31670950]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:001348837900001
出版者	ELSEVIER
引用统计	被引频次：1[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/321006/191247
专题	中国科学院金属研究所
通讯作者	Deng, Linhong
作者单位	1.Changzhou Univ, Sch Mat Sci & Engn, Changzhou 213164, Jiangsu, Peoples R China 2.Shazhou Profess Inst Technol, Coll Intelligent Mfg, Zhangjiagang 215600, Jiangsu, Peoples R China 3.Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Gansu, Peoples R China 4.Shenyang Univ Technol, Sch Mat Sci & Engn, Shenyang 110870, Liaoning, Peoples R China 5.Changzhou Univ, Sch Med & Hlth Engn, Changzhou 213164, Jiangsu, Peoples R China 6.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China 7.Sinopec Res Inst Petr Proc, Beijing 100083, Peoples R China
推荐引用方式 GB/T 7714	Chen, Huaihao,Hu, Shiwen,Liu, Zhuang,et al. Design, preparation and properties of biomedical Ti-Nb quaternary alloys with high strength and low modulus: Insights from first-principles calculations[J]. JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,2024,33:5629-5642.
APA	Chen, Huaihao.,Hu, Shiwen.,Liu, Zhuang.,Zhong, Huaiyu.,Cao, Yu.,...&Deng, Linhong.(2024).Design, preparation and properties of biomedical Ti-Nb quaternary alloys with high strength and low modulus: Insights from first-principles calculations.JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,33,5629-5642.
MLA	Chen, Huaihao,et al."Design, preparation and properties of biomedical Ti-Nb quaternary alloys with high strength and low modulus: Insights from first-principles calculations".JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T 33(2024):5629-5642.