The critical role of Si doping in enhancing the stability of M6C carbides

IMR OpenIR

	The critical role of Si doping in enhancing the stability of M6C carbides
	Jiang, Li; Ye, Xiang-Xi; Wang, Zhi-Qiang; Yu, Cun; Dong, Jia-Sheng; Xie, RuoBing; Li, Zhi-Jun; Yan, Long; Sham, Tsun-Kong; Zhou, Xing-Tai; Li, Ai-Ming; Li, ZJ; Yan, L (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Thorium Molten Salts Reactor Ctr, Shanghai 201800, Peoples R China.
	2017-12-25
发表期刊	ELSEVIER SCIENCE SA
ISSN	0925-8388
卷号	728 页码:917-926
摘要	M6C carbides are one of the most common second phases in high speed steels and superalloys, and also an alternative catalytic materials for energy applications. Although the influences of Si doping on the stability of M6C carbides have been frequently observed in different alloys, the atomic-scale mechanism of which remains poorly understood. Here we obtain the Ni3Mo3C-type M6C carbides in GH3535 alloys and evaluate the dependence of their structure and composition on Si contents. Combining high-energy synchrotron X-ray diffraction and first-principle calculations, Si atoms are found to preferentially occupy Ni (16d) sites in Ni3Mo3C structure. The electronic structures and Si K-edge x-ray absorption near edge structures demonstrate the band hybridization and charge transfer between Si atoms and the nearest-neighbor Ni (32e) and Mo (48f) atoms in Si-doped Ni3Mo3C structures, which is responsible for the stability of M6C carbides. (C) 2017 Elsevier B.V. All rights reserved.; M6C carbides are one of the most common second phases in high speed steels and superalloys, and also an alternative catalytic materials for energy applications. Although the influences of Si doping on the stability of M6C carbides have been frequently observed in different alloys, the atomic-scale mechanism of which remains poorly understood. Here we obtain the Ni3Mo3C-type M6C carbides in GH3535 alloys and evaluate the dependence of their structure and composition on Si contents. Combining high-energy synchrotron X-ray diffraction and first-principle calculations, Si atoms are found to preferentially occupy Ni (16d) sites in Ni3Mo3C structure. The electronic structures and Si K-edge x-ray absorption near edge structures demonstrate the band hybridization and charge transfer between Si atoms and the nearest-neighbor Ni (32e) and Mo (48f) atoms in Si-doped Ni3Mo3C structures, which is responsible for the stability of M6C carbides. (C) 2017 Elsevier B.V. All rights reserved.
部门归属	[jiang, li ; ye, xiang-xi ; yu, cun ; xie, ruobing ; li, zhi-jun ; yan, long ; zhou, xing-tai] chinese acad sci, shanghai inst appl phys, thorium molten salts reactor ctr, shanghai 201800, peoples r china ; [wang, zhi-qiang ; sham, tsun-kong] univ western ontario, dept chem, london, on n6a 3k7, canada ; [dong, jia-sheng] chinese acad sci, inst met res, shenyang 110016, liaoning, peoples r china ; [li, ai-ming] fushun special steel co ltd, fushun 113006, peoples r china
关键词	Si Doping M6c Carbides Stability Si K-edge Xanes First-principles Calculations
学科领域	Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
资助者	National key research and development program of China [2016YFB0700404]; National Natural Science Foundation of China [51501216, 51371188, 51671122, 51671154, 51601213]; Strategic Priority Research Program of the Chinese Academy of Sciences [XDA02004210]; Talent development fund of shanghai [201650]; CFI; NSERC; CHIR; NRC; University of Saskatchewan
收录类别	SCI
语种	英语
WOS记录号	WOS:000412818600107
引用统计	被引频次：47[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/321006/78928
专题	中国科学院金属研究所
通讯作者	Li, ZJ; Yan, L (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Thorium Molten Salts Reactor Ctr, Shanghai 201800, Peoples R China.
推荐引用方式 GB/T 7714	Jiang, Li,Ye, Xiang-Xi,Wang, Zhi-Qiang,et al. The critical role of Si doping in enhancing the stability of M6C carbides[J]. ELSEVIER SCIENCE SA,2017,728:917-926.
APA	Jiang, Li.,Ye, Xiang-Xi.,Wang, Zhi-Qiang.,Yu, Cun.,Dong, Jia-Sheng.,...&Yan, L .(2017).The critical role of Si doping in enhancing the stability of M6C carbides.ELSEVIER SCIENCE SA,728,917-926.
MLA	Jiang, Li,et al."The critical role of Si doping in enhancing the stability of M6C carbides".ELSEVIER SCIENCE SA 728(2017):917-926.