First-principles study on the structural stabilities, electronic and elastic properties for zirconium under pressure (English)
- New search for: Zhang, S.
- New search for: Zhu, Y.
- New search for: Zhang, X.
- New search for: Qi, L.
- New search for: Liu, R.
- New search for: Zhang, S.
- New search for: Zhu, Y.
- New search for: Zhang, X.
- New search for: Qi, L.
- New search for: Liu, R.
In:
COMPUTATIONAL MATERIALS SCIENCE
;
50
, 1
;
179-183
;
2010
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ISSN:
- Article (Journal) / Print
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Title:First-principles study on the structural stabilities, electronic and elastic properties for zirconium under pressure
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Contributors:
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Published in:COMPUTATIONAL MATERIALS SCIENCE ; 50, 1 ; 179-183
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Publisher:
- New search for: Elsevier Science B.V., Amsterdam.
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Publication date:2010-01-01
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Size:5 pages
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ISSN:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 620.1 / 510
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Classification:
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Source:
© Metadata Copyright the British Library Board and other contributors. All rights reserved.
Table of contents – Volume 50, Issue 1
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Publisher’s note| 2010
- 2
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Influence of doped rare earth elements on electronic properties of the R0.25Ca0.75MnO3 systemsLinh, Nguyen Hoang / Trang, Nguyen Thuy / Cuong, Nguyen Tien / Thao, Pham Huong / Cong, Bach Thanh et al. | 2010
- 6
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Kinetic Monte Carlo simulation of surfactant-mediated Cu thin-film growthZheng, Xiaoping / Zhang, Peifeng et al. | 2010
- 10
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Molecular dynamics simulation of mechanical properties of Ni–Al nanowiresAlavi, A. / Mirabbaszadeh, K. / Nayebi, P. / Zaminpayma, E. et al. | 2010
- 15
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Effect of Ni-substitution on Ni2MnGe Heusler alloys: Ab initio studyPugaczowa-Michalska, M. et al. | 2010
- 20
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Numerical analysis of delamination buckling and growth in slender laminated composite using cohesive element methodWang, R.G. / Zhang, L. / Zhang, J. / Liu, W.B. / He, X.D. et al. | 2010
- 32
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Modelling mixed columnar-equiaxed solidification with melt convection and grain sedimentation – Part I: Model descriptionWu, M. / Fjeld, A. / Ludwig, A. et al. | 2010
- 43
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Modelling mixed columnar-equiaxed solidification with melt convection and grain sedimentation – Part II: Illustrative modelling results and parameter studiesWu, M. / Ludwig, A. / Fjeld, A. et al. | 2010
- 59
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Effect of annealing on viscoplasticity of polymer blends: Experiments and modelingDrozdov, A.D. / Christiansen, J.deC. / Klitkou, R. / Potarniche, C.G. et al. | 2010
- 65
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FE analysis of coupled thermo-mechanical behaviors in radial–axial rolling of alloy steel large ringZhou, G. / Hua, L. / Lan, J. / Qian, D.S. et al. | 2010
- 77
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A new data reduction method for pulse diffusivity measurements on coated samplesChen, Liguo / Limarga, Andi M. / Clarke, David R. et al. | 2010
- 83
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Crack propagation in viscoelastic structures: Theoretical and numerical analysesNguyen, Sy Tuan / Dormieux, L. / Le Pape, Y. / Sanahuja, J. et al. | 2010
- 92
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Modelling of the microstructure: From classical cellular automata approach to the frontal oneSvyetlichnyy, D.S. et al. | 2010
- 98
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First principles study of interface structure and electronic property of Au/SrTiO3(001)Zhao, K.L. / Chen, D. / Li, D.X. et al. | 2010
- 105
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Structural, electronic, elastic properties and stabilities of hexagonal ZrNiAl alloy and its hydride ZrNiAlH0.67 under pressureKong, B. / Chen, X.-R. / Cai, L.-C. / Ji, G.-F. et al. | 2010
- 114
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First-principles study of the structural, elastic and electronic properties of HfTaO3NLiu, Qi-Jun / Liu, Zheng-Tang / Feng, Li-Ping / Tian, Hao et al. | 2010
- 118
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A phase-field model for electrode reactions with Butler–Volmer kineticsOkajima, Yoshinao / Shibuta, Yasushi / Suzuki, Toshio et al. | 2010
- 125
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A critical analysis of plastic flow behaviour in axisymmetric isothermal and Gleeble compression testingBennett, C.J. / Leen, S.B. / Williams, E.J. / Shipway, P.H. / Hyde, T.H. et al. | 2010
- 138
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Effective conductivity by stochastic reduced order models (SROMs)Grigoriu, Mircea et al. | 2010
- 147
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A modified Johnson–Cook constitutive model for Mg–Gd–Y alloy extended to a wide range of temperaturesHou, Qing Yu / Wang, Jing Tao et al. | 2010
- 153
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First-principle studies on the conductive behaviors of Ga, N single-doped and Ga–N codoped ZnOLi, P. / Deng, Sh.H. / Zhang, L. / Li, Y.B. / Zhang, X.Y. / Xu, J.R. et al. | 2010
- 158
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Numerical study on dynamic characteristics of micromachined ionic polymer metal composite devices based on molecular-scale modelingFeng, Guo-Hua et al. | 2010
- 167
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A characterization for the flow behavior of 42CrMo steelQuan, Guozheng / Tong, Ying / Luo, Gang / Zhou, Jie et al. | 2010
- 172
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A two-scale model for predicting elastic properties of porous titanium formed with space-holdersNiu, Wenjuan / Gill, Simon / Dong, Hongbiao / Bai, Chenguang et al. | 2010
- 179
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First-principles study on the structural stabilities, electronic and elastic properties for zirconium under pressureZhang, Suhong / Zhu, Yan / Zhang, Xinyu / Zhang, Shiliang / Qi, Li / Liu, Riping et al. | 2010
- 184
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Finite element analysis of an inelastic interface in ultrasonic welded metal/fibre-reinforced polymer jointsKonchakova, N. / Balle, F. / Barth, F.J. / Mueller, R. / Eifler, D. / Steinmann, P. et al. | 2010
- 191
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A DFT study of polyanion substitution into the Li-ion battery cathode material Li2FeSiO4Liivat, Anti / Thomas, John O. et al. | 2010
- 191
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A DFT study of Formula Not Shown polyanion substitution into the Li-ion battery cathode material Li2FeSiO4Liivat, A. / Thomas, J. O. et al. | 2010
- 191
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A DFT study of polyanion substitution into the Li-ion battery cathode material Li2FeSiO4Liivat, Anti et al. | 2010
- 198
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First-principles study of the stability and the electronic structure of NiO/MgO interfaceHuang, H.M. / Luo, S.J. / Yao, K.L. et al. | 2010
- 203
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Structural phase transition, electronic and elastic properties in TlX (X=N, P, As) compounds: Pressure-induced effectsShi, Liwei / Duan, Yifeng / Qin, Lixia et al. | 2010
- 211
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Effects of pores on shear bands in metallic glasses: A molecular dynamics studyWang, Jiangting / Hodgson, Peter D. / Zhang, Jingde / Yan, Wenyi / Yang, Chunhui et al. | 2010
- 218
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Performance simulation and quantitative analysis of cement-based materials subjected to leachingBernard, Fabrice / Kamali-Bernard, Siham et al. | 2010
- 227
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Constitutive descriptions for hot compressed 2124-T851 aluminum alloy over a wide range of temperature and strain rateLin, Y.C. / Xia, Yu-Chi / Chen, Xiao-Min / Chen, Ming-Song et al. | 2010
- 234
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Configuration effect on coalescence of voids in single-crystal copper under shock loadingDeng, Xiaoliang / Zhu, Wenjun / Zhang, Yalin / He, Hongliang / Jing, Fuqian et al. | 2010
- 239
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Vibration analysis of orthotropic graphene sheets embedded in Pasternak elastic medium using nonlocal elasticity theory and differential quadrature methodPradhan, S.C. / Kumar, A. et al. | 2010
- 246
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Effect of residual stresses on the strength and fracture energy of the brittle film: Multiple cracking analysisZhang, X.C. / Liu, C.J. / Xuan, F.Z. / Wang, Z.D. / Tu, S.T. et al. | 2010
- 253
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Buckling behavior of carbon nanotube-based intramolecular junctions under compression: Molecular dynamics simulation and finite element analysisKang, Zhan / Li, Ming / Tang, Qiqin et al. | 2010
- 260
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Sedimentation speed of a free dendrite growing in an undercooled meltMirihanage, Wajira U. / Browne, David J. et al. | 2010
- IFC
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IFC| 2010