Effects of Si and Al on twin boundary energy of TiC

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	Effects of Si and Al on twin boundary energy of TiC; Effects of Si and Al on twin boundary energy of TiC
	R. Yu; L. L. He; H. Q. Ye
	2003 ; 2003
发表期刊	Acta Materialia ; Acta Materialia
ISSN	1359-6454 ; 1359-6454
卷号	51 期号:9 页码:2477-2484
摘要	Effects of aluminum and silicon on the twin boundary energy (TBE) of titanium carbide (TiC) have been investigated using transmission electron microscopy and first-principles calculations. The results demonstrate that Al is more effective relative to Si to reduce the twin boundary energy of TiC. By electronic structure analysis, the high TBE of pure TiC can be attributed to the energy penalty accompanying the formation of trigonal prismatic coordination of Ti atoms at twin boundaries. For the SUM doped TiC, the lower TBE's are partly due to the absence of the energy penalty accompanying the formation of trigonal prismatic coordination of Si/Al atoms, and are partly due to the stabilizing effect via the formation of pi bonding between carbon neighbors of Si/Al atoms. The pi bonding between carbon neighbors of Al is stronger than that of Si, providing an explanation for the larger twin-stabilizing effect of Al. (C) 2003 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.; Effects of aluminum and silicon on the twin boundary energy (TBE) of titanium carbide (TiC) have been investigated using transmission electron microscopy and first-principles calculations. The results demonstrate that Al is more effective relative to Si to reduce the twin boundary energy of TiC. By electronic structure analysis, the high TBE of pure TiC can be attributed to the energy penalty accompanying the formation of trigonal prismatic coordination of Ti atoms at twin boundaries. For the SUM doped TiC, the lower TBE's are partly due to the absence of the energy penalty accompanying the formation of trigonal prismatic coordination of Si/Al atoms, and are partly due to the stabilizing effect via the formation of pi bonding between carbon neighbors of Si/Al atoms. The pi bonding between carbon neighbors of Al is stronger than that of Si, providing an explanation for the larger twin-stabilizing effect of Al. (C) 2003 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.
部门归属	chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china.;yu, r (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china ; chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china.;yu, r (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china
关键词	Carbides Carbides Twinning Twinning Grain Boundary Energy Grain Boundary Energy Transmission Electron Transmission Electron Microscopy (Tem) Microscopy (Tem) Electronic Structure Electronic Structure Metal Substitutional Impurities Metal Substitutional Impurities Electronic-properties Electronic-properties Interstitial Interstitial Alloys Alloys Structural Defects Structural Defects Crystal Crystal
URL	查看原文 ; 查看原文
WOS记录号	WOS:000182928900004 ; WOS:000182928900004
引用统计	被引频次：92[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/321006/36138
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	R. Yu,L. L. He,H. Q. Ye. Effects of Si and Al on twin boundary energy of TiC, Effects of Si and Al on twin boundary energy of TiC[J]. Acta Materialia, Acta Materialia,2003, 2003,51, 51(9):2477-2484, 2477-2484.
APA	R. Yu,L. L. He,&H. Q. Ye.(2003).Effects of Si and Al on twin boundary energy of TiC.Acta Materialia,51(9),2477-2484.
MLA	R. Yu,et al."Effects of Si and Al on twin boundary energy of TiC".Acta Materialia 51.9(2003):2477-2484.