Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion

IMR OpenIR

	Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion
	H. Y. Niu; X. Q. Chen; P. T. Liu; W. W. Xing; X. Y. Cheng; D. Z. Li; Y. Y. Li
	2012
发表期刊	Scientific Reports
ISSN	2045-2322
卷号	2
摘要	Traditional strengthening ways, such as strain, precipitation, and solid-solution, come into effect by pinning the motion of dislocation. Here, through first-principles calculations we report on an extra-electron induced covalent strengthening mechanism, which alters chemical bonding upon the introduction of extra-valence electrons in the matrix of parent materials. It is responsible for the brittle and high-strength properties of Al12W-type compounds featured by the typical fivefold icosahedral cages, which are common for quasicrystals and bulk metallic glasses (BMGs). In combination with this mechanism, we generalize ductile-to-brittle criterion in a universal hyperbolic form by integrating the classical Pettifor's Cauchy pressure with Pugh's modulus ratio for a wide variety of materials with cubic lattices. This study provides compelling evidence to correlate Pugh's modulus ratio with hardness of materials and may have implication for understanding the intrinsic brittleness of quasicrystals and BMGs.
部门归属	[niu, haiyang; chen, xing-qiu; liu, peitao; xing, weiwei; cheng, xiyue; li, dianzhong; li, yiyi] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, 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
关键词	Metallic-glass Supercooled Liquid Alloys Aluminium Phases
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60171
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Y. Niu,X. Q. Chen,P. T. Liu,et al. Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion[J]. Scientific Reports,2012,2.
APA	H. Y. Niu.,X. Q. Chen.,P. T. Liu.,W. W. Xing.,X. Y. Cheng.,...&Y. Y. Li.(2012).Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion.Scientific Reports,2.
MLA	H. Y. Niu,et al."Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion".Scientific Reports 2(2012).