Atomic-scale configurations of synchroshear-induced deformation twins in the ionic MnS crystal

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	Atomic-scale configurations of synchroshear-induced deformation twins in the ionic MnS crystal
	Y. T. Zhou; Y. B. Xue; D. Chen; Y. J. Wang; B. Zhang; X. L. Ma
	2014
发表期刊	Scientific Reports
ISSN	2045-2322
卷号	4
摘要	Deformation twinning was thought as impossible in ionic compounds with rock-salt structure due to the charge effect on {111} planes. Here we report the presence and formation mechanism of deformation {111} twins in the rock-salt manganese sulphide (MnS) inclusions embedded in a hot-rolled stainless steel. Based on the atomic-scale mapping under aberration-corrected scanning transmission electron microscopy, a dislocation-based mechanism involved two synchronized shear on adjacent atomic layers is proposed to describe the dislocation glide and consequently twinning formation. First-principles calculations of the energy barriers for twinning formation in MnS and comparing with that of PbS and MgO indicate the distinct dislocation glide scheme and deformation behaviors for the rock-salt compounds with different ionicities. This study may improve our understanding of the deformation mechanisms of rock-salt crystals and other ionic compounds.
部门归属	[zhou, y. t. ; xue, y. b. ; chen, d. ; wang, y. j. ; zhang, b. ; ma, x. l.] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. ; ma, xl (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, wenhua rd 72, shenyang 110016, peoples r china. ; xlma@imr.ac.cn
关键词	Total-energy Calculations Augmented-wave Method Electron-microscopy Stacking-faults Fcc Metals Basis-set Dislocations Slip Inclusions Nucleation
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语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/72984
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. T. Zhou,Y. B. Xue,D. Chen,et al. Atomic-scale configurations of synchroshear-induced deformation twins in the ionic MnS crystal[J]. Scientific Reports,2014,4.
APA	Y. T. Zhou,Y. B. Xue,D. Chen,Y. J. Wang,B. Zhang,&X. L. Ma.(2014).Atomic-scale configurations of synchroshear-induced deformation twins in the ionic MnS crystal.Scientific Reports,4.
MLA	Y. T. Zhou,et al."Atomic-scale configurations of synchroshear-induced deformation twins in the ionic MnS crystal".Scientific Reports 4(2014).