IMECH-IR  > 力学所知识产出(1956-2008)
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.
Source PublicationMechanics Research Communications
2008
Pages73-80
ISSN0093-6413
AbstractMolecular 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.
KeywordPhase Transformations Load Triaxiality Zinc Oxide Molecular Dynamics Density Functional Theory High-pressure Zno Phase Dynamics Systems Size
DOI10.1016/j.mechrescom.2007.09.004
Indexed BySCI ; EI
Language英语
WOS IDWOS:000253267800011
WOS KeywordHIGH-PRESSURE ; ZNO ; PHASE ; DYNAMICS ; SYSTEMS ; SIZE
WOS Research AreaMechanics
WOS SubjectMechanics
Citation statistics
Cited Times:13[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/26132
Collection力学所知识产出(1956-2008)
Corresponding AuthorZhou, 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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