Study of second phase in bioabsorbable magnesium alloys: Phase stability evaluation via Dmol(3) calculation

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	Study of second phase in bioabsorbable magnesium alloys: Phase stability evaluation via Dmol(3) calculation
	H. Z. Yang; C. Liu; P. Wan; L. L. Tan; K. Yang
	2013
发表期刊	Apl Materials
ISSN	2166-532X
卷号	1 期号:5
摘要	Thermodynamical stabilities of four conventional second phases as well as magnesium matrix in bioabsorbable magnesium alloys were investigated theoretically via computer calculation method. Model of individual phase and systems including phase and four water molecular (phase-4H(2)O) were established to simulate the in vitro and in vivo environment. Local orbital density functional theory approach was applied to calculate the total energy for the individual phase and phase-4H(2)O system. The results demonstrated that all the second phases possessed higher phase stability compared with magnesium matrix, but the phase stability was quite different for different types of second phases or second phase-4H(2)O systems. Furthermore, a schematic process of inflammation reaction caused by magnesium alloy implants was proposed for the further evaluation on biocompatibility of different second phases. (C) 2013 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
部门归属	[yang, huazhe ; liu, chen ; wan, peng ; tan, lili ; yang, ke] chinese acad sci, inst met res, shenyang 110016, peoples r china. [yang, huazhe] china med univ, dept biophys, shenyang 110001, peoples r china. [liu, chen] nanjing univ sci & technol, dept mat sci & engn, nanjing 210094, peoples r china. ; yang, k (reprint author), chinese acad sci, inst met res, shenyang 110016, peoples r china. ; kyang@imr.ac.cn
关键词	In-vitro Corrosion Mechanical-properties Vivo Corrosion Particles Behavior Biocompatibility Osteolysis Implant Calcium Stress
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/72595
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Z. Yang,C. Liu,P. Wan,et al. Study of second phase in bioabsorbable magnesium alloys: Phase stability evaluation via Dmol(3) calculation[J]. Apl Materials,2013,1(5).
APA	H. Z. Yang,C. Liu,P. Wan,L. L. Tan,&K. Yang.(2013).Study of second phase in bioabsorbable magnesium alloys: Phase stability evaluation via Dmol(3) calculation.Apl Materials,1(5).
MLA	H. Z. Yang,et al."Study of second phase in bioabsorbable magnesium alloys: Phase stability evaluation via Dmol(3) calculation".Apl Materials 1.5(2013).