First-principles study of structural stabilities, electronic and elastic properties of BaF2 under high pressure (English)
- New search for: Yang, X.
- New search for: Hao, A.
- New search for: Wang, X.
- New search for: Liu, X.
- New search for: Zhu, Y.
- New search for: Yang, X.
- New search for: Hao, A.
- New search for: Wang, X.
- New search for: Liu, X.
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In:
COMPUTATIONAL MATERIALS SCIENCE
;
49
, 3
;
530-534
;
2010
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ISSN:
- Article (Journal) / Print
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Title:First-principles study of structural stabilities, electronic and elastic properties of BaF2 under high pressure
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Contributors:
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Published in:COMPUTATIONAL MATERIALS SCIENCE ; 49, 3 ; 530-534
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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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Table of contents – Volume 49, Issue 3
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.
- 445
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Improved calculation of vibrational mode lifetimes in anharmonic solids – Part II: Numerical resultsDickel, Doyl / Daw, Murray S. et al. | 2010
- 450
-
Optical absorption and electron energy loss spectra of single-walled carbon nanotubesMovlarooy, T. / Kompany, A. / Hosseini, S.M. / Shahtahmasebi, N. et al. | 2010
- 457
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Structural, elastic and electronic properties of new antiperovskite-like ternary nitrides AlNNi3, GaNNi3 and InNNi3 as predicted from first principlesBannikov, V.V. / Shein, I.R. / Ivanovskii, A.L. et al. | 2010
- 462
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Dimensional analysis of the thermomechanical problem arising during through-hardening of cylindrical steel componentsŞimşir, Caner / Lübben, Thomas / Hoffmann, Franz / Zoch, Hans-Werner et al. | 2010
- 473
-
Yield-point phenomenon in constitutive models of cyclic plasticityŽerovnik, Andrej / Kunc, Robert / Prebil, Ivan et al. | 2010
- 483
-
A computational tool for the life prediction of GFRP laminates under irregular complex stress states: Influence of the fatigue failure criterionVassilopoulos, Anastasios P. / Sarfaraz, Roohollah / Manshadi, Behzad D. / Keller, Thomas et al. | 2010
- 492
-
Variational formulation and finite element analysis for nonlocal elastic nanobeams and nanoplatesPhadikar, J.K. / Pradhan, S.C. et al. | 2010
- 500
-
A two-stage multi-fidelity optimization procedure for honeycomb-type cellular materialsSun, Guangyong / Li, Guangyao / Stone, Michael / Li, Qing et al. | 2010
- 512
-
Numerical simulation of recrystallization in BCC metalsMontaño-Zuñiga, Ixchel M. / Sepulveda-Cervantes, Gabriel / Lopez-Hirata, Victor M. / Rivas-Lopez, Diego I. / Gonzalez-Velazquez, Jorge L. et al. | 2010
- 518
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Effects of initial axial stress on waves propagating in carbon nanotubes using a generalized nonlocal modelSong, J. / Shen, J. / Li, X.F. et al. | 2010
- 524
-
Structural phase transition, electronic and elastic properties of SrSe under pressure from first-principles calculationsShi, Liwei / Duan, Yifeng / Yang, Xianqing / Qin, Lixia et al. | 2010
- 530
-
First-principles study of structural stabilities, electronic and elastic properties of BaF2 under high pressureYang, Xiaocui / Hao, Aimin / Wang, Xiaoming / Liu, Xin / Zhu, Yan et al. | 2010
- 535
-
Determination of welding stress and distortion in discontinuous welding by means of numerical simulation and comparison with experimental measurementsZeng, Zhi / Wang, Lijun / Du, Pingan / Li, Xunbo et al. | 2010
- 544
-
Computational modeling of the transverse-isotropic elastic properties of single-walled carbon nanotubesMontazeri, A. / Sadeghi, M. / Naghdabadi, R. / Rafii-Tabar, H. et al. | 2010
- 552
-
Structural identification, electronic and optical properties of ZnSnO3: First principle calculationsGou, Huiyang / Gao, Faming / Zhang, Jingwu et al. | 2010
- 556
-
Evolutionary design of generalized GMDH-type neural network for prediction of concrete compressive strength using UPVMadandoust, R. / Ghavidel, R. / Nariman-zadeh, N. et al. | 2010
- 568
-
Computing mechanical response variability of polycrystalline microstructures through dimensionality reduction techniquesLi, Zheng / Wen, Bin / Zabaras, Nicholas et al. | 2010
- 582
-
Onset of failure in argon by the effect of a shockwave: A molecular dynamics studyLoyola, Claudia / Davis, Sergio / Peralta, Joaquín / Gutiérrez, Gonzalo et al. | 2010
- 588
-
Silicon/graphene core/shell nanowires produced by self-scrollingXia, Dan / Xue, Qingzhong / Xie, Jie / Chen, Huijuan / Lv, Cheng et al. | 2010
- 593
-
The stress–strain behavior of WC-Co hardmetalsGolovchan, V.T. / Litoshenko, N.V. et al. | 2010
- 598
-
Effect of the crack position in the cement mantle on the fracture behavior of the total hip prosthesisFlitti, A. / Ouinas, D. / Bouiadjra, B. Bachir / Benderdouche, N. et al. | 2010
- 603
-
Finite element modeling of residual stress around holes in the thermal barrier coatingsJiang, Y. / Xu, B.S. / Wang, H.D. / Lu, Y.H. et al. | 2010
- 609
-
Evaluation and prediction of wear response of pine wood dust filled epoxy composites using neural computationKranthi, Ganguluri / Satapathy, Alok et al. | 2010
- 615
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Prediction of cooling rate dependent ordering in metallic glass transition using a two-state modelHao, S.G. / Wang, C.Z. / Li, Maozhi / Napolitano, R.E. / Mendelev, M.I. / Ho, K.M. et al. | 2010
- 619
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Axial vibration of carbon nanotube heterojunctions using nonlocal elasticityFiliz, Seckin / Aydogdu, Metin et al. | 2010
- 628
-
A combined Johnson–Cook and Zerilli–Armstrong model for hot compressed typical high-strength alloy steelLin, Y.C. / Chen, Xiao-Min et al. | 2010
- 634
-
A new method of constructing physics-based nano-crystalline atomic structures for molecular dynamics simulationPark, Na-Young / Lee, Seung-Cheol / Cha, Pil-Ryung et al. | 2010
- 641
-
Molecular dynamics simulation of porous layer-induced stress in Fe single crystalLi, D. / Meng, F.Y. / Ma, X.Q. / Qiao, L.J. / Chu, W.Y. et al. | 2010
- 645
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A virtual experimental approach to estimate composite mechanical properties: Modeling with an explicit finite element methodZhang, Boming / Yang, Zhong / Sun, Xinyang / Tang, Zhanwen et al. | 2010
- 652
-
Computational investigation of van der Pauw structures for MEMS pressure sensorsMian, Ahsan / Law, Jesse et al. | 2010
- 663
-
FFT-based methods for the mechanics of composites: A general variational frameworkBrisard, S. / Dormieux, L. et al. | 2010
- 672
-
A hybrid multiscale computational framework of crystal plasticity at submicron scalesGao, Y. / Liu, Z.L. / You, X.C. / Zhuang, Z. et al. | 2010
- 682
-
Properties of the bare, passivated and doped germanium nanowire: A density-functional theory studyPang, Qing / Zhang, Jian-Min / Zhang, Yan / Ji, Vincent / Xu, Ke-Wei et al. | 2010
- 691
-
General trends in the structural, electronic and elastic properties of the M3AlC2 phases (M=transition metal): A first-principle studyHe, Xiaodong / Bai, Yuelei / Zhu, Chuncheng / Sun, Yue / Li, Mingwei / Barsoum, M.W. et al. | 2010
- 699
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The effect of Stone-Wales defect orientations on the electronic properties of single-walled carbon nanotubesAzadi, Sam / Moradian, Rostam / Shafaee, Atoosa Mousavi et al. | 2010
- IFC
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IFC| 2010