Theoretical study on the electronic properties and stabilities of low-index surfaces of WC polymorphs (English)
- New search for: Li, Y.
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- New search for: Li, Y.
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In:
COMPUTATIONAL MATERIALS SCIENCE
;
50
, 3
;
939-948
;
2011
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ISSN:
- Article (Journal) / Print
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Title:Theoretical study on the electronic properties and stabilities of low-index surfaces of WC polymorphs
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Contributors:
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Published in:COMPUTATIONAL MATERIALS SCIENCE ; 50, 3 ; 939-948
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Publisher:
- New search for: Elsevier Science B.V., Amsterdam.
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Publication date:2011-01-01
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Size:10 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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© Metadata Copyright the British Library Board and other contributors. All rights reserved.
Table of contents – Volume 50, 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.
- 811
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Kinetic modeling of high temperature oxidation of Ni-base alloysChatterjee, A. / Srikanth, S. / Sanyal, S. / Krishna, L. / Anand, K. / Subramanian, P.R. et al. | 2010
- 820
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The location of atomic hydrogen in NiTi alloy: A first principles studyMoitra, Amitava / Solanki, Kiran N. / Horstemeyer, M.F. et al. | 2010
- 824
-
Nanotubes of layered iron-based superconductors: Simulations of atomic structure and electronic propertiesShein, I.R. / Enyashin, A.N. / Ivanovskii, A.L. et al. | 2010
- 828
-
Dynamical analysis of carbon nanotubes conveying water considering carbon–water bond potential energy and nonlocal effectsHashemnia, K. / Farid, M. / Emdad, H. et al. | 2010
- 835
-
Density functional study of the phase diagram and thermodynamic properties of ZrHu, Cui-E. / Zeng, Zhao-Yi / Zhang, Lin / Chen, Xiang-Rong / Cai, Ling-Cang et al. | 2010
- 841
-
Magnetic moments and exchange interaction in Sm(Co,Fe)5 from first-principlesLiu, X.B. / Altounian, Z. et al. | 2010
- 847
-
Electronic properties of the Mg2Si thermoelectric material investigated by linear-response density-functional theoryBoulet, P. / Verstraete, M.J. / Crocombette, J.-P. / Briki, M. / Record, M.-C. et al. | 2010
- 852
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High-pressure structural phase transitions and mechanical properties of calcite rockAyoub, A. / Zaoui, A. / Berghout, A. et al. | 2010
- 858
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Modeling progressive delamination of laminated composites by discrete element methodYang, Dongmin / Ye, Jianqiao / Tan, Yuanqiang / Sheng, Yong et al. | 2010
- 865
-
Silicene nanoribbons: Molecular-dynamics simulationsInce, Alper / Erkoc, Sakir et al. | 2010
- 871
-
Quantifying the effects of strains on the conductivity and porosity of LiFePO4 based Li-ion composite cathodes using a multi-scale approachAwarke, Ali / Lauer, Sven / Wittler, Michael / Pischinger, Stefan et al. | 2010
- 880
-
Ab initio investigation of Al/Mo2B interfacial adhesionSi Abdelkader, H. / Faraoun, H.I. et al. | 2010
- 886
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Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSbReshak, Ali H. / Ouahrani, T. / Khenata, R. / Otero-de-la-Roza, A. / Luaña, V. / Baltache, H. et al. | 2010
- 893
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Simplified marching cubes: An efficient discretization scheme for simulations of deposition/ablation in complex mediaVignoles, Gerard L. / Donias, Marc / Mulat, Christianne / Germain, Christian / Delesse, Jean-François et al. | 2010
- 903
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Molecular dynamics evaluation of strain rate and size effects on mechanical properties of FCC nickel nanowiresHuang, Dan / Zhang, Qing / Qiao, Pizhong et al. | 2010
- 911
-
3D coupled thermo-mechanical FE analysis of roll size effects on the radial–axial ring rolling processZhou, G. / Hua, L. / Qian, D.S. et al. | 2010
- 925
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Effect of Cr precipitates and He bubbles on the strength of 〈110〉 tilt grain boundaries in BCC Fe: An atomistic studyTerentyev, D. / He, X. et al. | 2010
- 934
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Investigating the effect of chirality on structural parameters of chiral single-walled carbon nanotubes by molecular dynamics simulationMashreghi, A. / Moshksar, M.M. et al. | 2010
- 939
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Theoretical study on the electronic properties and stabilities of low-index surfaces of WC polymorphsLi, Yefei / Gao, Yimin / Xiao, Bing / Min, Ting / Fan, Zijian / Ma, Shengqiang / Yi, Dawei et al. | 2010
- 949
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Phase-field simulation of irradiated metalsMillett, Paul C. / El-Azab, Anter / Rokkam, Srujan / Tonks, Michael / Wolf, Dieter et al. | 2010
- 949
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Phase-field simulation of irradiated metals:Part I: Void kineticsMillett, P. C. / El-Azab, A. / Rokkam, S. / Tonks, M. / Wolf, D. et al. | 2011
- 960
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Phase-field simulation of irradiated metals:Part II: Gas bubble kineticsMillett, P. C. / El-Azab, A. / Wolf, D. et al. | 2011
- 971
-
Molecular dynamics study of effects of intertube spacing on sliding behaviors of multi-walled carbon nanotubeSong, Hai-Yang / Zha, Xin-Wei et al. | 2010
- 975
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Axisymmetric yielding of functionally graded spherical vessel under thermo-mechanical loadingSadeghian, Mojtaba / Toussi, Hamid Ekhteraei et al. | 2010
- 982
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Density functional investigation of Fen clusters (n ≤6) with Cr substitutions: UB3LYP/LanL2DZ calculationNakazawa, T. / Igarashi, T. / Tsuru, T. / Kaji, Y. et al. | 2010
- 982
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Density functional investigation of Fen clusters (n<=6) with Cr substitutions: UB3LYP/LanL2DZ calculationNakazawa, T. / Igarashi, T. / Tsuru, T. / Kaji, Y. et al. | 2011
- 991
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Energetic and magnetic properties of chitosan with embedded Co clustersTereshchuk, Polina L. et al. | 2010
- 998
-
Lamb shift of interactive electron-hole pairs in spherical semiconductor Quantum DotsBillaud, B. / Truong, T.-T. et al. | 2010
- 1009
-
Prediction of the mechanical properties of forged Ti–10V–2Fe–3Al titanium alloy using FNNHan, Y.F. / Zeng, W.D. / Shu, Y. / Zhou, Y.G. / Yu, H.Q. et al. | 2010
- 1016
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Truncated pore network model for the methane and hydrogen adsorption in disordered nanoporous carbonsRamírez Vélez, Alejandro et al. | 2010
- 1022
-
Nonlocal beam model for nonlinear analysis of carbon nanotubes on elastomeric substratesShen, Hui-Shen / Zhang, Chen-Li et al. | 2010
- 1030
-
Morphological instabilities in thin films: Evolution mapsZaeem, Mohsen Asle / Mesarovic, Sinisa Dj. et al. | 2010
- 1037
-
First-principles study of the electronic, optical and bonding properties in dolomiteHossain, F.M. / Dlugogorski, B.Z. / Kennedy, E.M. / Belova, I.V. / Murch, G.E. et al. | 2010
- 1043
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A study on large amplitude vibration of multilayered graphene sheetsJomehzadeh, E. / Saidi, A.R. et al. | 2010
- 1052
-
Buckling analysis of single walled carbon nanotube on Winkler foundation using nonlocal elasticity theory and DTMPradhan, S.C. / Reddy, G.K. et al. | 2010
- 1057
-
Structural, elastic, and lattice dynamical properties of YB2 compoundOzisik, H. / Deligoz, E. / Colakoglu, K. / Ciftci, Y.O. et al. | 2010
- 1064
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Optimization of chemical composition for TC11 titanium alloy based on artificial neural network and genetic algorithmSun, Y. / Zeng, W.D. / Han, Y.F. / Ma, X. / Zhao, Y.Q. et al. | 2010
- 1070
-
Structural and lattice dynamical properties of Zintl NaIn and NaTl compoundsOzisik, H.B. / Colakoglu, K. / Surucu, G. / Ozisik, H. et al. | 2010
- 1077
-
First principles calculations of structural, electronic, optical and thermodynamic properties of PbS, SrS and their ternary alloys Pb1− xSrxSLabidi, S. / Labidi, M. / Meradji, H. / Ghemid, S. / El Haj Hassan, F. et al. | 2010
- 1083
-
Hyperelastic finite element model for single wall carbon nanotubes in tensionSaavedra Flores, E.I. / Adhikari, S. / Friswell, M.I. / Scarpa, F. et al. | 2010
- 1088
-
Solubility of carbon in a-iron under volumetric strain and close to the 5(310)[001] grain boundary: Comparison of DFT and empirical potential methodsHristova, E. / Janisch, R. / Drautz, R. / Hartmaier, A. et al. | 2011
- 1088
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Solubility of carbon in α-iron under volumetric strain and close to the Σ5(310)[001] grain boundary: Comparison of DFT and empirical potential methodsHristova, Elisaveta / Janisch, Rebecca / Drautz, Ralf / Hartmaier, Alexander et al. | 2010
- 1097
-
Effect of negative pressure on superconducting transition temperature of MgB2Zhang, Chengguo / Zhang, X. et al. | 2010
- 1102
-
Numerical modeling and simulation of a diffusion-controlled liquid–solid phase change in polycrystalline solidsGhoneim, A. / Ojo, O.A. et al. | 2010
- 1114
-
Parameter determination of Chaboche kinematic hardening model using a multi objective Genetic AlgorithmMahmoudi, A.H. / Pezeshki-Najafabadi, S.M. / Badnava, H. et al. | 2010
- 1123
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A new microstructural model based on dislocation generation and consumption mechanisms through severe plastic deformationHosseini, E. / Kazeminezhad, M. et al. | 2010
- 1136
-
Cyclic plastic behavior analysis based on the micromorphic mixed hardening plasticity modelZhang, Z.H. / Zhuang, Z. / Gao, Y. / Liu, Z.L. / Nie, J.F. et al. | 2010
- 1145
-
Crack growth calculations in solder joints based on microstructural phenomena with X-FEMMenk, Alexander / Bordas, Stéphane P.A. et al. | 2010
- 1157
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Pearson random walk algorithms for fiber-scale modeling of Chemical Vapor InfiltrationVignoles, G.L. / Ros, W. / Mulat, C. / Coindreau, O. / Germain, C. et al. | 2010
- 1169
-
Ab-initio study of phase transitions in NaNO2 crystals based on band structure calculationsAndriyevsky, Bohdan et al. | 2010
- 1175
-
A first principles study on the full-Heusler compound Mn2CuSbWei, Xiao-Ping / Deng, Jian-Bo / Chu, Shi-Bing / Mao, Ge-Yong / Hu, Lei-Bo / Yang, Ming-Kun / Hu, Xian-Ru et al. | 2010
- 1179
-
Ab initio study of electronic, magnetic and optical properties of CuWO4 tungstateLalić, M.V. / Popović, Z.S. / Vukajlović, F.R. et al. | 2010
- 1187
-
Simulation of impact energy in functionally graded steelsNazari, Ali / Aghazadeh Mohandesi, Jamshid / Vishkasogheh, Mehdi Hamid / Abedi, Mohammad et al. | 2010
- 1197
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Efficient supercell design for surface and interface calculations of hexagonal phases: α-Al2O3 case studySigumonrong, Darwin P. / Music, Denis / Schneider, Jochen M. et al. | 2010
- 1197
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Efficient supercell design for surface and interface calculations of hexagonal phases: a-Al2O3 case studySigumonrong, D. P. / Music, D. / Schneider, J. M. et al. | 2011
- 1202
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A large strain computational multi-scale model for the dissipative behaviour of wood cell-wallSaavedra Flores, E.I. / de Souza Neto, E.A. / Pearce, C. et al. | 2010
- 1212
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Electronic structure and surface properties of cubic perovskite oxide BaMnO3Gökoğlu, Gökhan / Yıldırım, Hasan et al. | 2010
- 1217
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Erratum: Ring statistics analysis of topological networks: New approach and application to amorphous GeS2 and SiO2 systems. [Comput. Mater. Sci. 49 (2010) 70–83]Roux, Sébastien Le / Jund, Philippe et al. | 2010
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IFC| 2010