Interstitial-boron solution strengthened WB3+x

IMR OpenIR

	Interstitial-boron solution strengthened WB3+x
	X. Y. Cheng; W. Zhang; X. Q. Chen; H. Y. Niu; P. T. Liu; K. Du; G. Liu; D. Z. Li; H. M. Cheng; H. Q. Ye; Y. Y. Li
	2013
发表期刊	Applied Physics Letters
ISSN	0003-6951
卷号	103 期号:17
摘要	By means of variable-composition evolutionary algorithm coupled with density functional theory and in combination with aberration-corrected high-resolution transmission electron microscopy experiments, we have studied and characterized the composition, structure, and hardness properties of WB3+x (x < 0.5). We provide robust evidence for the occurrence of stoichiometric WB3 and non-stoichiometric WB3+x, both crystallizing in the metastable hP16 (P6(3)/mmc) structure. No signs for the formation of the highly debated WB4 (both hP20 and hP10) phases were found. Our results rationalize the seemingly contradictory high-pressure experimental findings and suggest that the interstitial boron atom is located in the tungsten layer and vertically interconnect with four boron atoms, thus forming a typical three-center boron net with the upper and lower boron layers in a three-dimensional covalent network, which thereby strengthen the hardness. (C) 2013 AIP Publishing LLC.
部门归属	[cheng, xiyue ; zhang, wei ; chen, xing-qiu ; niu, haiyang ; liu, peitao ; du, kui ; liu, gang ; li, dianzhong ; cheng, hui-ming ; ye, hengqiang ; li, yiyi] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. [zhang, wei ; du, kui] tsinghua univ, beijing natl ctr electron microscopy, beijing 100084, peoples r china. ; chen, xq (reprint author), chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. ; xingqiu.chen@imr.ac.cn ; kuidu@imr.ac.cn
关键词	Superhard Rhenium Diboride Tungsten Tetraboride Metal Borides Pressure Principles Search Energy Hard
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/321006/71172
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	X. Y. Cheng,W. Zhang,X. Q. Chen,et al. Interstitial-boron solution strengthened WB3+x[J]. Applied Physics Letters,2013,103(17).
APA	X. Y. Cheng.,W. Zhang.,X. Q. Chen.,H. Y. Niu.,P. T. Liu.,...&Y. Y. Li.(2013).Interstitial-boron solution strengthened WB3+x.Applied Physics Letters,103(17).
MLA	X. Y. Cheng,et al."Interstitial-boron solution strengthened WB3+x".Applied Physics Letters 103.17(2013).