Computational materials science
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.
Table of contents
- 2535
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A projected Newton algorithm for simulation of multi-variant textured polycrystalline shape memory alloysMahnken, Rolf / Wilmanns, Stefan et al. | 2011
- 2549
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Optical properties of α, β and ω structure of Titanium: Ab initio approachJafari, Mahmoud / Hajiyani, Hamid reza et al. | 2011
- 2549
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Optical properties of a, b and structure of Titanium: Ab initio approachJafari, M. / Hajiyani, H. r. et al. | 2011
- 2554
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Interplay between fracture and diffusion behaviors: Modeling and phase field computationYang, Fan / Liu, Bin / Fang, Dai-ning et al. | 2011
- 2561
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On the opening of a class of fatigue cracks due to thermo-mechanical fatigue testing of thermal barrier coatingsHernandez, M.T. / Cojocaru, D. / Bartsch, M. et al. | 2011
- 2573
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A novel integrated model combining Cellular Automata and Phase Field methods for microstructure evolution during solidification of multi-component and multi-phase alloysTan, Wenda / Bailey, Neil S. / Shin, Yung C. et al. | 2011
- 2586
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The energetic and structural properties of bcc NiCu, FeCu alloys: A first-principles studyXie, Yao-Ping / Zhao, Shi-Jin et al. | 2011
- 2592
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A transient finite element analysis of thermoelastic effects during inertia friction weldingBennett, C.J. / Hyde, T.H. / Shipway, P.H. et al. | 2011
- 2599
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On a representative atomistic volume for a grain embedded in a polycrystalGubanov, A. / Vinogradov, O. et al. | 2011
- 2604
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Influence of size effect on the springback of sheet metal foils in micro-bendingLiu, J.G. / Fu, M.W. / Lu, J. et al. | 2011
- 2615
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Computational estimation of elastic properties of spark plasma sintered TaC by meshfree and finite element methodsBakshi, Srinivasa R. / Bhargava, Akanksha / Mohammadizadeh, Seyedreza et al. | 2011
- 2621
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Crack Tip Opening Displacement in atomistic modeling of fracture of siliconThaulow, Christian / Schieffer, Stella V. / Vatne, Inga R. et al. | 2011
- 2628
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B3LYP investigation of response properties of alkali halides on external static electric fieldsPraveen, C.S. / Kokalj, A. / Valant, M. et al. | 2011
- 2636
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First-principles study of point defects and Si site preference in Al3TiZhu, Guoliang / Dai, Yongbing / Shu, Da et al. | 2011
- 2640
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Evaporation processes of water molecules from graphene edge: DFT and MD studyAbe, Shigeaki / Nagoya, Yoshinori / Watari, Fumio et al. | 2011
- 2644
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Magnetic properties of ternary Prussian Blue Analogs studied with genetic approachGwizdałła, Tomasz M. et al. | 2011
- 2651
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FP-LAPW study of the structural, elastic and thermodynamic properties of spinel oxides ZnX2O4 (X=Al, Ga, In)Zerarga, F. / Bouhemadou, A. / Khenata, R. et al. | 2011
- 2658
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Modifications of Cu x Zr12− x Y Icosahedra upon (0< x <12, Y=Be, Mg, Al, Si, P, Nb, Ag) substitutions by density functional theory computationsBokas, G.B. et al. | 2011
- 2658
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Modifications of CuxZr12− xY Icosahedra upon (0< x <12, Y=Be, Mg, Al, Si, P, Nb, Ag) substitutions by density functional theory computationsBokas, G.B. / Evangelakis, G.A. / Lekka, Ch.E. et al. | 2011
- 2663
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Self-diffusion in Zn4Sb3 from first-principles molecular dynamicsLøvvik, Ole Martin / Rauwel, Protima / Prytz, Øystein et al. | 2011
- 2666
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A comparative study of Knudsen diffusion in cellular metalsFiedler, T. / Belova, I.V. / Murch, G.E. et al. | 2011
- 2671
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Multiscale modelling of porous polymers using a combined finite element and D-optimal design of experiment approachSpaggiari, Andrea / O’Dowd, Noel / Dragoni, Eugenio et al. | 2011
- 2683
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Electronic properties and phonon spectra of SrMoO4Vali, R. et al. | 2011
- 2688
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Study on plastic flow localization prediction using a physically-based hardening modelButuc, M.C. / Barlat, F. / Gracio, J.J. et al. | 2011
- 2698
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Microstructure generation of severely deformed materials using Voronoi diagram in Laguerre geometry: Full algorithmJafari, R. / Kazeminezhad, M. et al. | 2011
- 2706
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Surface instability, ripple formation, and spontaneous transition to chains of dots by competing kineticsLee, Seungjun / Lu, Wei et al. | 2011
- 2712
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A Potts model for junction limited grain growthZöllner, Dana et al. | 2011
- 2720
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Encapsulation of a benzene molecule into a carbon nanotubeTran-Duc, Thien / Thamwattana, Ngamta / Cox, Barry J. et al. | 2011
- 2727
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Mechanical properties and defective effects of bcc V–4Cr–4Ti and V–5Cr–5Ti alloys by first-principles simulationsLi, Xiaoqing / Zhang, Chong / Zhao, Jijun et al. | 2011
- 2732
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A simple tight-binding model for the study of 4d transition metals under pressureCazorla, C. / Alfè, D. / Gillan, M.J. et al. | 2011
- 2736
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Electronic band structure and inter-atomic bonding in layered 1111-like Th-based pnictide oxides ThCuPO, ThCuAsO, ThAgPO, and ThAgAsO from first principles calculationsBannikov, V.V. / Shein, I.R. / Ivanovskii, A.L. et al. | 2011
- 2741
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Molecular dynamics modeling and simulations of a single-walled carbon-nanotube-resonator encapsulating a finite nanoparticleYoon, Jong Won / Hwang, Ho Jung et al. | 2011
- IFC
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IFC| 2011