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| Effect Of Load Triaxiality On Polymorphic Transitions In Zinc Oxide | |
Kulkarni AJ; Saxasamak K; Wang J ; Ke FJ(柯孚久); Limpijumnong S; Zhou M; Zhou, M (reprint author), Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA.
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| Source Publication | Mechanics Research Communications
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| 2008 | |
| Pages | 73-80 |
| ISSN | 0093-6413 |
| Abstract | Molecular dynamics (MD) simulations and first-principles calculations are carried out to analyze the stability of both newly discovered and previously known phases of ZnO under loading of various triaxialities. The analysis focuses on a graphite-like phase (FIX) and a body-centered-tetragonal phase (BCT-4) that were observed recently in [0 1 (1) over bar 0]- and [0 0 0 1]-oriented nanowires respectively under uniaxial tensile loading as well as the natural state of wurtzite (WZ) and the rocksalt (RS) phase which exists under hydrostatic pressure loading. Equilibrium critical stresses for the transformations are obtained. The WZ -> HX transformation is found to be energetically favorable above a critical tensile stress of 10 GPa in [0 1 (1) over tilde 0] nanowires. The BCT-4 phase can be stabilized at tensile stresses above 7 GPa in [0 0 0 1] nanowires. The RS phase is stable at hydrostatic pressures above 8.2 GPa. The identification and characterization of these phase transformations reveal a more extensive polymorphism of ZnO than previously known. A crystalline structure-load triaxiality map is developed to summarize the new understanding. (c) 2007 Elsevier Ltd. All rights reserved. |
| Keyword | Phase Transformations Load Triaxiality Zinc Oxide Molecular Dynamics Density Functional Theory High-pressure Zno Phase Dynamics Systems Size |
| DOI | 10.1016/j.mechrescom.2007.09.004 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000253267800011 |
| WOS Keyword | HIGH-PRESSURE ; ZNO ; PHASE ; DYNAMICS ; SYSTEMS ; SIZE |
| WOS Research Area | Mechanics |
| WOS Subject | Mechanics |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/26132 |
| Collection | 力学所知识产出(1956-2008) |
| Corresponding Author | Zhou, M (reprint author), Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. |
| Recommended Citation GB/T 7714 | Kulkarni AJ,Saxasamak K,Wang J,et al. Effect Of Load Triaxiality On Polymorphic Transitions In Zinc Oxide[J]. Mechanics Research Communications,2008:73-80. |
| APA | Kulkarni AJ.,Saxasamak K.,Wang J.,柯孚久.,Limpijumnong S.,...&Zhou, M .(2008).Effect Of Load Triaxiality On Polymorphic Transitions In Zinc Oxide.Mechanics Research Communications,73-80. |
| MLA | Kulkarni AJ,et al."Effect Of Load Triaxiality On Polymorphic Transitions In Zinc Oxide".Mechanics Research Communications (2008):73-80. |
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