First-principles study of deformation-induced phase transformations in Ti-Al intermetallics

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	First-principles study of deformation-induced phase transformations in Ti-Al intermetallics
	C. L. Chen; W. Lu; L. L. He; H. Q. Ye
	2009
发表期刊	Journal of Materials Research
ISSN	0884-2914
卷号	24 期号:5 页码:1662-1666
摘要	The structural phase stability and electronic properties of the Ti-Al intermetallic compounds were investigated by means of density-functional theory (DFT) calculations in a generalized gradient approximation. Through comparison of the calculated formation energies of the parent and product phases, an in-depth theoretical understanding of the deformation-induced gamma -> alpha(2) phase transitions observed previously in TiAl alloys was achieved. The fort-nation energy plays an important role in evaluating the feasibility of these phase transformations during plastic deformation of TiAl alloys. In addition, the density of states (DOS) was also calculated and used to analyze the stability of Ti-Al intermetallic compounds. The reasons for the absence of the deformation-induced (DI)-alpha(2) and DI-gamma (L1(2)) phases in underformed TiAl alloys were analyzed.
部门归属	[chen, c. l.; lu, w.; he, l. l.; ye, h. q.] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. [ye, h. q.] peking univ, electron microscope lab, beijing 100871, peoples r china.;he, ll (reprint author), chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china;llhe@imr.ac.cn
关键词	Gamma-titanium Aluminides Electronic-structure Shear Deformation Crystal-structure Alloy Stability Microstructure Exchange Energy Ti3al
URL	查看原文
WOS记录号	WOS:000267207800009
引用统计	被引频次：7[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/321006/31819
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	C. L. Chen,W. Lu,L. L. He,et al. First-principles study of deformation-induced phase transformations in Ti-Al intermetallics[J]. Journal of Materials Research,2009,24(5):1662-1666.
APA	C. L. Chen,W. Lu,L. L. He,&H. Q. Ye.(2009).First-principles study of deformation-induced phase transformations in Ti-Al intermetallics.Journal of Materials Research,24(5),1662-1666.
MLA	C. L. Chen,et al."First-principles study of deformation-induced phase transformations in Ti-Al intermetallics".Journal of Materials Research 24.5(2009):1662-1666.