Influence of impurities on phase stability of martensites in titanium

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	Influence of impurities on phase stability of martensites in titanium
	J. H. Dai; Y. Song; R. Yang
	2012
发表期刊	Philosophical Magazine
ISSN	1478-6435
卷号	92 期号:18 页码:2272-2285
摘要	The influence of H, C, N and O impurities on the phase stability of titanium was studied by first principles total energy calculations. The occupation energies of the impurities were estimated to identify their site preferences. All impurities considered prefer to occupy the octahedral site except for H, which tends to occupy the tetrahedral site in the beta phase. Electronic structures were analyzed to clarify the intrinsic influence mechanisms of impurity on the stability of martensitic phases. It was found that the density of states around the Fermi energy, which was affected dramatically by impurity, and the bonding interactions between impurity and titanium were connected to the phase stability of Ti. Elastic constants of impurity-containing systems were estimated from curves of energy against strain to evaluate the mechanical stability of these systems. It was shown that the alpha '' phase can not be stabilized by impurities considered here, while the alpha' phase (regardless of the impurities) and H- and C-containing beta phase are thermodynamically stable and also satisfy the mechanical stability criteria.
部门归属	[dai, j. h.; song, y.] harbin inst technol weihai, sch mat sci & engn, weihai 264209, peoples r china. [yang, r.] chinese acad sci, inst met res, shenyang 110016, peoples r china.;song, y (reprint author), harbin inst technol weihai, sch mat sci & engn, 2 w wenhua rd, weihai 264209, peoples r china.;sy@hitwh.edu.cn
关键词	Phase Stability Impurity Titanium First Principles Calculation Plastic-deformation Mechanism Hydrogen Embrittlement Alpha-titanium Alloy Hydride Carbon Microstructure Oxygen Ti Superelasticity
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/59923
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	J. H. Dai,Y. Song,R. Yang. Influence of impurities on phase stability of martensites in titanium[J]. Philosophical Magazine,2012,92(18):2272-2285.
APA	J. H. Dai,Y. Song,&R. Yang.(2012).Influence of impurities on phase stability of martensites in titanium.Philosophical Magazine,92(18),2272-2285.
MLA	J. H. Dai,et al."Influence of impurities on phase stability of martensites in titanium".Philosophical Magazine 92.18(2012):2272-2285.