Structural stabilities, electronic and optical properties of CaF2 under high pressure: A first-principles study (English)
- New search for: Cui, S.
- New search for: Feng, W.
- New search for: Hu, H.
- New search for: Feng, Z.
- New search for: Wang, Y.
- New search for: Cui, S.
- New search for: Feng, W.
- New search for: Hu, H.
- New search for: Feng, Z.
- New search for: Wang, Y.
In:
COMPUTATIONAL MATERIALS SCIENCE
;
47
, 1
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41-45
;
2009
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ISSN:
- Article (Journal) / Print
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Title:Structural stabilities, electronic and optical properties of CaF2 under high pressure: A first-principles study
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Contributors:
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Published in:COMPUTATIONAL MATERIALS SCIENCE ; 47, 1 ; 41-45
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Publisher:
- New search for: Elsevier Science B.V., Amsterdam.
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Publication date:2009-01-01
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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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Table of contents – Volume 47, 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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Nanoindentation of model diamond nanocomposites: Hierarchical molecular dynamics and finite-element simulationsPearson, James D. / Gao, Guangtu / Zikry, Mohammed A. / Harrison, Judith A. et al. | 2009
- 12
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The equivalent plastic strain-dependent Yld2000-2d yield function and the experimental verificationWang, Haibo / Wan, Min / Wu, Xiangdong / Yan, Yu et al. | 2009
- 23
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Numerical study of Soret and Dufour effects on heat and mass transfer from natural convection flow over a vertical porous medium with variable wall heat fluxesTsai, R. / Huang, J.S. et al. | 2009
- 31
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Roles of sodium induced defects in CuInSe2 by first principles calculationSun, Xianzhong / Jiang, Fangdan / Feng, Jiayou et al. | 2009
- 35
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First-principles calculations of structural, electronic and elastic properties of Ca2MgSi2O7Yang, Yang / Lu, Hao / Yu, Chun / Chen, Jun-Mei et al. | 2009
- 41
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Structural stabilities, electronic and optical properties of CaF2 under high pressure: A first-principles studyCui, Shouxin / Feng, Wenxia / Hu, Haiquan / Feng, Zhenbao / Wang, Yuanxu et al. | 2009
- 46
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Analysis of workability behavior of Al–SiC P/M composites using backpropagation neural network model and statistical techniqueSivasankaran, S. / Narayanasamy, R. / Ramesh, T. / Prabhakar, M. et al. | 2009
- 60
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Numerical modelling of fracture of particulate composites using SPH methodChen, Yongqiang / Kulasegaram, Sivakumar et al. | 2009
- 71
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Effective diffusivity of lead free solder alloysLi, Shidong / Basaran, Cemal et al. | 2009
- 79
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Vibrational analysis of carbon nanotubes and graphene sheets using molecular structural mechanics approachHashemnia, K. / Farid, M. / Vatankhah, R. et al. | 2009
- 86
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Prediction of mechanical properties in magnesia based refractory materials using ANNKoksal, N. Sinan et al. | 2009
- 93
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Numerical study for the effects of thermophoresis and variable thermal conductivity on heat and mass transfer over an accelerating surface with heat sourceSeddeek, M.A. / Odda, S.N. / Abdelmeguid, M.S. et al. | 2009
- 99
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Electronic and optical properties of orthorhombic LiInS2 and LiInSe2: A density functional theory investigationMa, Tian-hui / Yang, Chun-hui / Xie, Ying / Sun, Liang / Lv, Wei-qiang / Wang, Rui / Zhu, Chong-qiang / Wang, Meng et al. | 2009
- 106
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Modeling the oxidation behavior of hot pressed nanocrystalline Cr–33Nb alloysJajarmi, P. / Valipour, S. et al. | 2009
- 111
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NO adsorption effects on various functional molecular nanowiresNguyen, Tien Quang / Aspera, Susan Menez / Nakanishi, Hiroshi / Kasai, Hideaki et al. | 2009
- 121
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Diffusion and formation energies of adatoms and vacancies on magnesium surfacesJohansen, Christopher G. / Huang, Hanchen / Lu, Toh-Ming et al. | 2009
- 128
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An improved technique for the solution of edge crack problem for finite plateChen, Y.Z. / Lin, X.Y. / Wang, Z.X. et al. | 2009
- 135
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Semi-empirical atomistic study of point defect properties in BCC transition metalsOlsson, Pär A.T. et al. | 2009
- 146
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FEA comparison of high and low pressure tube hydroforming of TRIP steelNikhare, C. / Weiss, M. / Hodgson, P.D. et al. | 2009
- 153
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Influence of precipitations on elastic–plastic properties of Al alloysParashkevova, L. / Bontcheva, N. et al. | 2009
- 162
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Molecular dynamics investigations of structural changes accompanying with freezing a molten Cu135 cluster on coolingZhang, Lin / Xu, Song-Ning / Zhang, Cai-Bei / Qi, Yang et al. | 2009
- 168
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Vibration analysis of multi-walled carbon nanotubes using a spring–mass based finite element modelGeorgantzinos, S.K. / Anifantis, N.K. et al. | 2009
- 178
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Effect of tensile cracking on diffusivity of mortar: 3D numerical modellingKamali-Bernard, S. / Bernard, F. et al. | 2009
- 186
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Cohesive bonding interface model for the effective properties of randomly structured compositesGuessasma, S. / Benseddiq, N. et al. | 2009
- 193
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Dynamics and pattern formation in thermally induced phase separation of polymer–solvent systemAsai, Suresh / Majumdar, Saptarshi / Gupta, Abhishek / Kargupta, Kajari / Ganguly, Saibal et al. | 2009
- 206
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Elastic properties of lamellar Ti–Al alloysGasik, Michael M. et al. | 2009
- 213
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Characterisation and simulation of the creep behaviour of Nicrofer 6025HT wire material at 650 degrees CBeiss, P. / El-Magd, E. / Stuhrmann, J. et al. | 2009
- 213
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Characterisation and simulation of the creep behaviour of Nicrofer 6025HT wire material at 650°CBeiss, P. / El-Magd, E. / Stuhrmann, J. et al. | 2009
- 213
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Characterisation and simulation of the creep behaviour of Nicrofer 6025HT wire material at 650degreeCBeiss, P. / El-Magd, E. / Stuhrmann, J. et al. | 2009
- 220
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Thermal-conductivity and tensile-properties of BN, SiC and Ge nanotubesShen, HaiJun et al. | 2009
- 225
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Effect of interfacial debonding on the failure behavior in a fiber-reinforced composite subjected to transverse tensionRomanowicz, Marek et al. | 2009
- 232
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Solute diffusion in the γ′ phase of Ni based alloysGong, Xiu-Fang / Yang, Gong Xian / Fu, You Heng / Ming, Chen / Xie, Yi Qun / Zhuang, Jun / Ning, Xi-Jing et al. | 2009
- 232
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Solute diffusion in the gprime phase of Ni based alloysGong, X. F. / Yang, G. X. / Fu, Y. H. / Ming, C. / Xie, Y. Q. / Zhuang, J. / Ning, X. J. et al. | 2009
- 237
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Density-functional tight-binding for beginnersKoskinen, Pekka / Mäkinen, Ville et al. | 2009
- 254
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Effects of alloying elements on elastic properties of Ni by first-principles calculationsKim, DongEung / Shang, Shun-Li / Liu, Zi-Kui et al. | 2009
- 261
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Artificial immune system for optimal design of composite hydrogen storage vesselLiu, Pengfei / Xu, Ping / Zheng, Jinyang et al. | 2009
- 268
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Small scale effect on the buckling of single-layered graphene sheets under biaxial compression via nonlocal continuum mechanicsPradhan, S.C. / Murmu, T. et al. | 2009
- 275
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Wedge indentation of elastic–plastic layered substrates: Designing against contact-induced plasticityZisis, Th. / Giannakopoulos, A.E. et al. | 2009
- 286
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Rapid implementation of material models within finite element analysisSands, C.M. et al. | 2009
- IFC
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IFC| 2009