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Author Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.
Title Stability of Sb-Te layered structures : first-principles study Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 14 Pages 144114-144114,8
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Using an effective one-dimensional cluster expansion in combination with first-principles electronic structure calculations we have studied the energetics and electronic properties of Sb-Te layered systems. For a Te concentration between 0 and 60 at. % an almost continuous series of metastable structures is obtained consisting of consecutive Sb bilayers next to consecutive Sb2Te3 units, with the general formula (Sb-2)(n)(Sb2Te3)(m) (n, m = 1,2, ... ). Between 60 and 100 at.% no stable structures are found. We account explicitly for the weak van derWaals bonding between Sb bilayers and Sb2Te3 units by using a recently developed functional, which strongly improves the interlayer bonding distances. At T = 0 K, no evidence is found for the existence of two separate single-phase regions delta and gamma and a two-phase region delta + gamma. Metastable compounds with a Te concentration between 0 and 40 at. % are semimetallic, whereas compounds with a Te concentration between 50 and 60 at. % are semiconducting. Compounds with an odd number of Sb layers are metallic and have a much higher formation energy than those with an even number of consecutive Sb layers, thereby favoring the formation of Sb bilayers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000303115400004 Publication Date (down) 2012-04-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 14 Open Access
Notes Iwt; Fwo Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:98255 Serial 3129
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Author Berdiyorov, G.R.; de Romaguera, A.R.C.; Milošević, M.V.; Doria, M.M.; Covaci, L.; Peeters, F.M.
Title Dynamic and static phases of vortices under an applied drive in a superconducting stripe with an array of weak links Type A1 Journal article
Year 2012 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
Volume 85 Issue 4 Pages 130-130,8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Static and dynamic properties of superconducting vortices in a superconducting stripe with a periodic array of weakly-superconducting (or normal metal) regions are studied in the presence of external magnetic and electric fields. The time-dependent Ginzburg-Landau theory is used to describe the electronic transport, where the anisotropy is included through the spatially-dependent critical temperature T-c. Superconducting vortices penetrating into the weak-superconducting region with smaller T-c are more mobile than the ones in the strong superconducting regions. We observe periodic entrance and exit of vortices which reside in the weak link for some short interval. The mobility of the weakly-pinned vortices can be reduced by increasing the uniform applied magnetic field leading to distinct features in the voltage vs. magnetic field response of the system.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000303545400013 Publication Date (down) 2012-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6028;1434-6036; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.461 Times cited 32 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the bilateral programme between Flanders and Brazil. G.R.B. and L.C. acknowledge individual support from FWO-Vl. A.R.de C.R. acknowledges CNPq and FACEPE for financial support. ; Approved Most recent IF: 1.461; 2012 IF: 1.282
Call Number UA @ lucian @ c:irua:98267 Serial 761
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Author Shakouri, K.; Szafran, B.; Esmaeilzadeh, M.; Peeters, F.M.
Title Effective spin-orbit interaction Hamiltonian for quasi-one-dimensional quantum rings Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 16 Pages 165314-165314,8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effective Hamiltonian for an electron in a quasi-one-dimensional quantum ring in the presence of spin-orbit interactions is derived. We demonstrate that, when both coupling types are simultaneously present, the effective Hamiltonian derived by the lowest-radial-state approximation produces energy spectra and charge densities which deviate strongly from the exact ones. For equal Rashba and Dresselhaus coupling constants the lowest-radial-state approximation opens artifactal avoided crossings in the energy spectra and deforms the circular symmetry of the confined charge densities. In this case, there does not exist a ring thin enough to justify the restriction to the lowest radially quantized energy state. We derive the effective Hamiltonian accounting for both the lowest and the first excited radial states, and show that the inclusion of the latter restores the correct features of the exact solution. Relation of this result to the states of a quantum wire is also discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000303068800006 Publication Date (down) 2012-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 32 Open Access
Notes ; This work was partially supported by Polish Ministry of Science and Higher Education and its grants for Scientific Research. ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:98258 Serial 855
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Author Barbier, M.; Papp, G.; Peeters, F.M.
Title Snake states and Klein tunneling in a graphene Hall bar with a pn-junction Type A1 Journal article
Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 100 Issue 16 Pages 163121-163121,3
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The Hall (R-H) and bend (R-B) resistances of a graphene Hall bar structure containing a pn-junction are calculated when in the ballistic regime. The simulations are done using the billiard model. Introducing a pn-junction-dividing the Hall bar geometry in two regions-leads to two distinct regimes exhibiting very different physics: (1) both regions are of n-type and (2) one region is n-type and the other p-type. In regime (1), a “Hall plateau”-an enhancement of the resistance-appears for R-H. On the other hand, in regime (2), we found a negative R-H, which approaches zero for large B. The bend resistance is highly asymmetric in regime (2) and the resistance increases with increasing magnetic field B in one direction while it reduces to zero in the other direction. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4704667]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000303128500064 Publication Date (down) 2012-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 20 Open Access
Notes ; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-EuroGRAPHENE project CONGRAN. ; Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:99129 Serial 3047
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Author Van Passel, S.; Dubois, M.; Eyckmans, J.; de Gheldere, S.; Ang, F.; Jones, P.T.; Van Acker, K.
Title The economics of enhanced landfill mining : private and societal performance drivers Type A1 Journal article
Year 2013 Publication Journal Of Cleaner Production Abbreviated Journal J Clean Prod
Volume 55 Issue Pages 92-102
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract This paper addresses the economics of Enhanced Landfill Mining (ELFM) both from a private point of view as well as from a society perspective. The private potential is assessed using a case study for which an investment model is developed to identify the impact of a broad range of parameters on the profitability of ELFM. We found that especially variations in Waste-to-Energy (WtE efficiency, electricity price, CO2-price, WtE investment and operational costs) and ELFM support explain the variation in economic profitability measured by the Internal Rate of Return. To overcome site-specific parameters we also evaluated the regional ELFM potential for the densely populated and industrial region of Flanders (north of Belgium). The total number of potential ELFM sites was estimated using a 5-step procedure and a simulation tool was developed to trade-off private costs and benefits. The analysis shows that there is a substantial economic potential for ELFM projects on the wider regional level. Furthermore, this paper also reviews the costs and benefits from a broader perspective. The carbon footprint of the case study was mapped in order to assess the project's net impact in terms of greenhouse gas emissions. Also the impacts of nature restoration, soil remediation, resource scarcity and reduced import dependence were valued so that they can be used in future social cost-benefit analysis. Given the complex trade-off between economic, social and environmental issues of ELFM projects, we conclude that further refinement of the methodological framework and the development of the integrated decision tools supporting private and public actors, are necessary. (c) 2012 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000322802300010 Publication Date (down) 2012-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.715 Times cited 65 Open Access
Notes ; ; Approved Most recent IF: 5.715; 2013 IF: 3.590
Call Number UA @ admin @ c:irua:127550 Serial 6266
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Author Lemmens, H.; Richard, O.; Van Tendeloo, G.; Bismayer, U.
Title Microstructure and phase transitions in Pb(Sc0.5Ta0.5)O3 Type A1 Journal article
Year 1999 Publication Journal of electron microscopy Abbreviated Journal Microscopy-Jpn
Volume 48 Issue 6 Pages 843-847
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The microstructure and phase transitions in the perovskite-based ferroelectric lead scandium tantalate, Pb(Sc0.5Ta0.5)O-3 have been investigated by transmission electron microscopy. The effects of ordering of Sc and Ta cations are apparent in reciprocal space as well as in direct space images. High-resolution observations allow direct structure imaging of the domain structure. The structure of the low temperature ferroelectric phase is studied by selected area electron diffraction (SAED) and electron microdiffraction. The relaxer behaviour of this paraelectric-ferroelectric transition is displayed by diffuse intensities in the SAED patterns at temperatures around the Curie point.
Address
Corporate Author Thesis
Publisher Place of Publication Tokyo Editor
Language Wos 000085129600023 Publication Date (down) 2012-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-0744;1477-9986; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.9 Times cited 7 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:95195 Serial 2057
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Author Richard, O.; Van Tendeloo, G.; Lemée, N.; le Lannic, J.; Guilloux-Viry, M.; Perrin, A.
Title Microstructure of CuXMo6S8 Chevrel phase thin films on R-plane sapphire Type A1 Journal article
Year 2000 Publication Journal of electron microscopy Abbreviated Journal Microscopy-Jpn
Volume 49 Issue 3 Pages 493-501
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Tokyo Editor
Language Wos 000088308100015 Publication Date (down) 2012-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-0744;1477-9986; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.9 Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:54722 Serial 2069
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Author Chen, J.H.; Van Tendeloo, G.
Title Microstructure of tough polycrystalline natural diamond Type A1 Journal article
Year 1999 Publication Journal of electron microscopy Abbreviated Journal Microscopy-Jpn
Volume 48 Issue Pages 121-129
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Tokyo Editor
Language Wos 000079814900005 Publication Date (down) 2012-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-0744;1477-9986; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.9 Times cited 9 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:29710 Serial 2077
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Author Sanchez-Munoz, L.; Nistor, L.; Van Tendeloo, G.; Sanz, J.
Title Modulated structures in KAISi3O8: a study by high resolution electron microscopy and 29Si MAS-NMR spectroscopy Type A1 Journal article
Year 1998 Publication Journal of electron microscopy Abbreviated Journal Microscopy-Jpn
Volume 47 Issue 1 Pages 17-28
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Tokyo Editor
Language Wos 000073247300003 Publication Date (down) 2012-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-0744;1477-9986; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.9 Times cited 10 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:25661 Serial 2166
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Author Morozov, V.; Arakcheeva, A.; Redkin, B.; Sinitsyn, V.; Khasanov, S.; Kudrenko, E.; Raskina, M.; Lebedev, O.; Van Tendeloo, G.
Title Na2/7Gd4/7MoO4 : a modulated scheelite-type structure and conductivity properties Type A1 Journal article
Year 2012 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 51 Issue 9 Pages 5313-5324
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Scheelite-type compounds with the general formula (A1,A2)n[(B1,B2)O4]m (2/3 ≤ n/m ≤ 3/2) are the subject of large interest owing to their stability, relatively simple preparation, and optical properties. The creation of cation vacancies (□) in the scheelite-type framework and the ordering of A cations and vacancies can be a new factor in controlling the scheelite-type structure and properties. For a long time, cation-deficient Nd3+:M2/7Gd4/7□1/7MoO4 (M = Li, Na) compounds were considered as potential lasers with diode pumping. They have a defect scheelite-type 3D structure (space group I41/a) with a random distribution of Li+(Na+), Gd3+, and vacancies in the crystal. A Na2/7Gd4/7MoO4 single crystal with scheelite-type structure has been grown by the Czochralski method. Transmission electron microscopy revealed that Na2/7Gd4/7MoO4 has a (3 + 2)D incommensurately modulated structure. The (3 + 2)D incommensurately modulated scheelite-type cation-deficient structure of Na2/7Gd4/7MoO4 [super space group I4̅ (αβ0,βα0)00] has been solved from single-crystal diffraction data. The solution of the (3 + 2)D incommensurately modulated structure revealed the partially disordered distribution of vacancies and Na and Gd cations. High-temperature conductivity measurements performed along the [100] and [001] orientation of the single crystal revealed that the conductivity of Na2/7Gd4/7MoO4 at T = 973 K equals σ = 1.13 × 105 Ω1 cm1.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000303952900055 Publication Date (down) 2012-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 37 Open Access
Notes Approved Most recent IF: 4.857; 2012 IF: 4.593
Call Number UA @ lucian @ c:irua:98385 Serial 3547
Permanent link to this record
 
 
Author Neyts, E.C.
Title PECVD growth of carbon nanotubes : from experiment to simulation Type A1 Journal article
Year 2012 Publication Journal of vacuum science and technology: B: micro-electronics processing and phenomena Abbreviated Journal
Volume 30 Issue 3 Pages 030803-030803,17
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Nanostructured carbon materials show a tremendous variety in atomic structure, morphology, properties, and applications. As all properties are ultimately determined by the structure of the material, a thorough understanding of the growth mechanisms that give rise to the particular structure is critical. On many occasions, it has been shown that plasma enhanced growth can be strongly beneficial. This review will describe the authors current understanding of plasma enhanced growth of carbon nanotubes, the prototypical example of nanostructured carbon materials, as obtained from experiments, simulations, and modeling. Specific emphasis is put on where experiments and computational approaches correspond, and where they differ. Also, the current status on simulating PECVD growth of some other carbon nanomaterials is reviewed, including amorphous carbon, graphene, and metallofullerenes. Finally, computational challenges with respect to the simulation of PECVD growth are identified.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000305042000010 Publication Date (down) 2012-04-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2166-2746; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 42 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:97166 Serial 2570
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Author Sliem, M.A.; Turner, S.; Heeskens, D.; Kalidindi, S.B.; Van Tendeloo, G.; Muhler, M.; Fischer, R.A.
Title Preparation, microstructure characterization and catalytic performance of Cu/ZnO and ZnO/Cu composite nanoparticles for liquid phase methanol synthesis Type A1 Journal article
Year 2012 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 14 Issue 22 Pages 8170-8178
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Stearate@Cu/ZnO nanocomposite particles with molar ratios of ZnO ∶ Cu = 2 and 5 are synthesized by reduction of the metalorganic Cu precursor [Cu{(OCH(CH3)CH2N(CH3)2)}2] in the presence of stearate@ZnO nanoparticles. In the case of ZnO ∶ Cu = 5, high-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM) combined with electron-energy-loss-spectroscopy (EELS) as well as attenuated total reflection Fourier transform infrared (ATR-IR) spectroscopy are used to localize the small amount of Cu deposited on the surface of 35 nm sized stearate@ZnO particles. For ZnO ∶ Cu = 2, the microstructure of the nanocomposites after catalytic activity testing is characterized by HAADF-STEM techniques. This reveals the construction of large Cu nanoparticles (2050 nm) decorated by small ZnO nanoparticles (35 nm). The catalytic activity of both composites for the synthesis of methanol from syn gas is evaluated.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000304102200033 Publication Date (down) 2012-04-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 16 Open Access
Notes Fwo Approved Most recent IF: 4.123; 2012 IF: 3.829
Call Number UA @ lucian @ c:irua:98377 Serial 2702
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Author Vandeputte, D.F.; Jacob, W.A.; Van Grieken, R.E.
Title Phosphorus, calcium and lead distribution in collagen in lead induced soft tissue calcification : an ultrastructural and X-ray microanalytical study Type A1 Journal article
Year 1990 Publication Matrix Abbreviated Journal
Volume 10 Issue 1 Pages 33-37
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Repeated intraperitoneal injections of lead acetate in rats caused a calcification of the skin of the abdomen near the site of the injections. In the lead-induced calcifications, electron dense collagen bundles could be observed. On the surface of the collagen fibrils, needle-like crystals were visible. With energy-dispersive X-ray analysis, phosphorus, calcium and lead were detected in the electron dense collagen bundles. X-ray maps of the P-Kα, Ca-Kα, and Pb-Lα plus Pb-Lβ lines showed an equivalent distribution along the collagen fibrils for phosphorus and calcium. The occurrence of the most electron dense areas in the STEM-image was comparable to the lead distribution. A good correlation existed between the structural and the elemental images of the same area. Although the medicinal use of preparations containing lead is no longer recommended, some are still prescribed. From our results we can conclude that they should not be applied to injured or inflamed skin.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date (down) 2012-04-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-8832 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:116930 Serial 8377
Permanent link to this record
 
 
Author Van Noyen, J.; Middelkoop, V.; Buysse, C.; Kovalevsky, A.; Snijkers, F.; Buekenhoudt, A.; Mullens, S.; Luyten, J.; Kretzschmar, J.; Lenaerts, S.
Title Fabrication of perovskite capillary membranes for high temperature gas separation Type A1 Journal article
Year 2012 Publication Catalysis today Abbreviated Journal Catal Today
Volume 193 Issue 1 Pages 172-178
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Oxygen-permeable perovskites with mixed ionic-electronic conducting properties can play an important role in carbon capture and storage techniques. Their ability to separate oxygen from air is needed, more specifically, in oxy-fuel and pre-combustion technologies. In this work, the first detailed comparative analysis and new results are reported on four types of Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) capillary membranes: non-coated sulphur-containing; catalyst-coated sulphur-containing; non-coated sulphur-free and catalyst-coated sulphur-free. The fabrication of BSCF capillaries by a spinning technique based on phase inversion is further discussed and their oxygen separation performances are interpreted. The comparison of the performance of these different generations of BSCF capillaries of similar dimensions demonstrates a significant impact of the sulphur contamination on both the oxygen flux through the membrane and the activation energy of the overall oxygen transport mechanism. Careful attention is paid to the effect of activation layers on both sulphur-free and sulphur-containing types of capillaries. Additional long-term testing of the sulphur-free BSCF capillaries is presented, where partial decomposition of the membrane surface was observed due to kinetic demixing. (c) 2012 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000308675900025 Publication Date (down) 2012-04-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0920-5861 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.636 Times cited 9 Open Access
Notes ; The authors want to express their thanks to the VITO personnel for their continuous support, especially B. Molenberghs, W. Doyen (Separation and Conversion Technology, VITO), R. Kemps, M. Mertens, I. Thijs, M. Schoeters, W. Bouwen and J. Cooymans (Materials Department, VITO). C. Buysse thankfully acknowledges a Ph.D. scholarship provided by VITO and the University of Antwerp. This work is performed in the framework of the German Helmholtz Alliance Project “MEM-BRAIN”, aiming at the development of gas separation membranes for zero-emission fossil fuel power plants. ; Approved Most recent IF: 4.636; 2012 IF: 2.980
Call Number UA @ admin @ c:irua:101797 Serial 5951
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Author Schattschneider, P.; Schaffer, B.; Ennen, I.; Verbeeck, J.
Title Mapping spin-polarized transitions with atomic resolution Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 13 Pages 134422-134422,8
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The coupling of angstrom-sized electron probes with spin-polarized electronic transitions shows that the inelastically scattered probe electron is in a mixed state containing electron vortices with nonzero orbital angular momentum. These electrons create an asymmetric intensity distribution in energy filtered diffraction patterns, giving access to maps of the magnetic moments with atomic resolution. A feasibility experiment shows evidence of the predicted effect. Potential applications are column-by-column maps of magnetic ordering, and the creation of angstrom-sized free electrons with orbital angular momentum by inelastic scattering in a thin ferromagnetic foil.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000302608100004 Publication Date (down) 2012-04-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 41 Open Access
Notes The authors thank A. Bleloch, S. Loffler, and P. Nellist for fruitful discussions and suggestions. P.S. acknowledges financial support from the Austrian Science Fund, Project No. I543-N20. The support of the EPSRC for the SuperSTEM facility is gratefully acknowledged. J.V. acknowledges support from the European Research Council under the 7th Framework Program (FP7), ERC Grant No. 246791-COUNTATOMS and ERC Starting Grant No. 278510-VORTEX. ECASJO_; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:97390UA @ admin @ c:irua:97390 Serial 1945
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Author Clem, J.R.; Mawatari, Y.; Berdiyorov, G.R.; Peeters, F.M.
Title Predicted field-dependent increase of critical currents in asymmetric superconducting nanocircuits Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 14 Pages 144511-144511,16
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The critical current of a thin superconducting strip of width W much larger than the Ginzburg-Landau coherence length xi but much smaller than the Pearl length Lambda = 2 lambda(2)/d is maximized when the strip is straight with defect-free edges. When a perpendicular magnetic field is applied to a long straight strip, the critical current initially decreases linearly with H but then decreases more slowly with H when vortices or antivortices are forced into the strip. However, in a superconducting strip containing sharp 90 degrees or 180 degrees turns, the zero-field critical current at H = 0 is reduced because vortices or antivortices are preferentially nucleated at the inner corners of the turns, where current crowding occurs. Using both analytic London-model calculations and time-dependent Ginzburg-Landau simulations, we predict that in such asymmetric strips the resulting critical current can be increased by applying a perpendicular magnetic field that induces a current-density contribution opposing the applied current density at the inner corners. This effect should apply to all turns that bend in the same direction.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000302611100004 Publication Date (down) 2012-04-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 40 Open Access
Notes ; This research, supported in part by the US Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering, was performed in part at the Ames Laboratory, which is operated for the US Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. This work also was supported in part by the Flemish Science Foundation (FWO-Vlaanderen) and the Belgian Science Policy (IAP). G.R.B. acknowledges individual support from FWO-Vlaanderen. ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:98263 Serial 2695
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Author De Schepper, E.; Van Passel, S.; Manca, J.; Thewys, T.
Title Combining photovoltaics and sound barriers : a feasibility study Type A1 Journal article
Year 2012 Publication Renewable Energy Abbreviated Journal Renew Energ
Volume 46 Issue Pages 297-303
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract In the light of global warming, renewables such as solar photovoltaics (PV) are important to decrease greenhouse gas emissions. An important issue regarding implementation of solar panels on large scale, is the limited available area. Therefore, it can be interesting to combine PV with alternative applications, as a ways of not requiring “additional” space. One example is a photovoltaic noise barrier (PVNB), where a noise barrier located along a highway or railway is used as substructure for PV modules. Even though a PVNB is not a novel concept, the absence of economic assessments in literature can be a barrier to their wider implementation. In this paper, a feasibility study of a PVNB in Belgium is conducted, using a cost benefit analysis including a Monte Carlo sensitivity analysis. Besides purely economic aspects, also ecological benefits are monetized. The sensitivity analysis indicates that the ecological benefit of noise reduction, which is valuated using a noise sensitivity depreciation index applied to real estate prices, is of major importance in determining the net present value of the case study. On the contrary, the impact of reducing CO2 emissions seems to be negligible when expressed in monetary terms. The results suggest that the PVNB as a whole and also its separate components -.e. the PV array and the noise barrier can be profitable projects, when ecological benefits are included. (C) 2012 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000305169400036 Publication Date (down) 2012-04-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0960-1481 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.357 Times cited 12 Open Access
Notes ; ; Approved Most recent IF: 4.357; 2012 IF: 2.989
Call Number UA @ admin @ c:irua:127555 Serial 6170
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Author Chen, Y.; Shanenko, A.A.; Perali, A.; Peeters, F.M.
Title Superconducting nanofilms : molecule-like pairing induced by quantum confinement Type A1 Journal article
Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 24 Issue 18 Pages 185701-185701,8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Quantum confinement of the perpendicular motion of electrons in single-crystalline metallic superconducting nanofilms splits the conduction band into a series of single-electron subbands. A distinctive feature of such a nanoscale multi-band superconductor is that the energetic position of each subband can vary significantly with changing nanofilm thickness, substrate material, protective cover and other details of the fabrication process. It can occur that the bottom of one of the available subbands is situated in the vicinity of the Fermi level. We demonstrate that the character of the superconducting pairing in such a subband changes dramatically and exhibits a clear molecule-like trend, which is very similar to the well-known crossover from the Bardeen-Cooper-Schrieffer regime to Bose-Einstein condensation (BCS-BEC) observed in trapped ultracold fermions. For Pb nanofilms with thicknesses of 4 and 5 monolayers (MLs) this will lead to a spectacular scenario: up to half of all the Cooper pairs nearly collapse, shrinking in the lateral size (parallel to the nanofilm) down to a few nanometers. As a result, the superconducting condensate will be a coherent mixture of almost molecule-like fermionic pairs with ordinary, extended Cooper pairs.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000303500900018 Publication Date (down) 2012-04-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 26 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). AAS thanks A Bianconi, M D Croitoru and A V Vagov for useful discussions. AAS acknowledges the hospitality and fruitful interactions with G C Strinati, P Pieri and D Neilson during his visit to the University of Camerino, supported by the School of Advanced Studies of the University of Camerino. ; Approved Most recent IF: 2.649; 2012 IF: 2.355
Call Number UA @ lucian @ c:irua:98223 Serial 3357
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Author Lajevardipour, A.; Neek-Amal, M.; Peeters, F.M.
Title Thermomechanical properties of graphene : valence force field model approach Type A1 Journal article
Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 24 Issue 17 Pages 175303-175303,8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the valence force field model of Perebeinos and Tersoff (2009 Phys. Rev. B 79 241409(R)), different energy modes of suspended graphene subjected to tensile or compressive strain are studied. By carrying out Monte Carlo simulations it is found that: (i) only for small strains (vertical bar epsilon vertical bar (sic) 0.02) is the total energy symmetrical in the strain, while it behaves completely differently beyond this threshold; (ii) the important energy contributions in stretching experiments are stretching, angle bending, an out-of-plane term, and a term that provides repulsion against pi-pi misalignment; (iii) in compressing experiments the two latter terms increase rapidly, and beyond the buckling transition stretching and bending energies are found to be constant; (iv) from stretching-compressing simulations we calculated the Young's modulus at room temperature 350 +/- 3.15 N m(-1), which is in good agreement with experimental results (340 +/- 50 N m(-1)) and with ab initio results (322-353) N m(-1); (v) molar heat capacity is estimated to be 24.64 J mol(-1) K-1 which is comparable with the Dulong-Petit value, i. e. 24.94 J mol(-1) K-1, and is almost independent of the strain; (vi) nonlinear scaling properties are obtained from height-height correlations at finite temperature; (vii) the used valence force field model results in a temperature independent bending modulus for graphene, and (viii) the Gruneisen parameter is estimated to be 0.64.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000303499700012 Publication Date (down) 2012-04-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 29 Open Access
Notes ; We acknowledge helpful comments by V Perebeinos, S Costamagna, A Fasolino and J H Los. This work was supported by the Flemish science foundation (FWO-Vl) and the Belgium Science Policy (IAP). ; Approved Most recent IF: 2.649; 2012 IF: 2.355
Call Number UA @ lucian @ c:irua:99123 Serial 3639
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Author Simon, Q.; Barreca, D.; Gasparotto, A.; Maccato, C.; Montini, T.; Gombac, V.; Fornasiero, P.; Lebedev, O.I.; Turner, S.; Van Tendeloo, G.
Title Vertically oriented CuO/ZnO nanorod arrays : from plasma-assisted synthesis to photocatalytic H2 production Type A1 Journal article
Year 2012 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 22 Issue 23 Pages 11739-11747
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract 1D CuO/ZnO nanocomposites were grown on Si(100) substrates by means of an original two-step synthetic strategy. ZnO nanorod (NR) arrays were initially deposited by plasma enhanced-chemical vapor deposition (PE-CVD) from an ArO2 atmosphere. Subsequently, tailored amounts of CuO were dispersed over zinc oxide matrices by radio frequency (RF)-sputtering of Cu from Ar plasmas, followed by thermal treatment in air. A thorough characterization of the obtained systems was carried out by X-ray photoelectron and X-ray excited-Auger electron spectroscopies (XPS and XE-AES), glancing incidence X-ray diffraction (GIXRD), field emission-scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDXS), atomic force microscopy (AFM), transmission electron microscopy (TEM), electron diffraction (ED) and energy filtered-TEM (EF-TEM). Pure and highly oriented CuO/ZnO NR arrays, free from ternary ZnCuO phases and characterized by a copper(II) oxide content controllable as a function of the adopted RF-power, were successfully obtained. Interestingly, the structural relationships between the two oxides at the CuO/ZnO interface were found to depend on the overall CuO loading. The obtained nanocomposites displayed promising photocatalytic performances in H2 production by reforming of ethanolwater solutions under simulated solar illumination, paving the way to the sustainable conversion of solar light into chemical energy.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000304351400046 Publication Date (down) 2012-04-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 74 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:98382 Serial 3840
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Author Saniz, R.; Partoens, B.; Peeters, F.M.
Title Green function approach to superconductivity in nanowires Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 14 Pages 144504-144504,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Superconductivity in nanowires made of weak coupling superconductor materials is investigated using a Green function approach. We show that these are multigap systems in which the ratio Delta(T)/k(B)T(c) is to a large extent similar to what is observed in some high-T-c two-gap systems, such as MgB2 and some of the Fe-based superconductors. On the other hand, because of confinement, the superfluid density has a temperature behavior of the form n(s)(T) = 1 – (T/T-c)(3) near T-c, thus deviating from the BCS behavior for bulk superconductors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000302290700006 Publication Date (down) 2012-04-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 1 Open Access
Notes ; This work was supported by FWO-Vl and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:97764 Serial 1381
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Author Mees, M.J.; Pourtois, G.; Neyts, E.C.; Thijsse, B.J.; Stesmans, A.
Title Uniform-acceptance force-bias Monte Carlo method with time scale to study solid-state diffusion Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 13 Pages 134301-134301,9
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Monte Carlo (MC) methods have a long-standing history as partners of molecular dynamics (MD) to simulate the evolution of materials at the atomic scale. Among these techniques, the uniform-acceptance force-bias Monte Carlo (UFMC) method [ G. Dereli Mol. Simul. 8 351 (1992)] has recently attracted attention [ M. Timonova et al. Phys. Rev. B 81 144107 (2010)] thanks to its apparent capacity of being able to simulate physical processes in a reduced number of iterations compared to classical MD methods. The origin of this efficiency remains, however, unclear. In this work we derive a UFMC method starting from basic thermodynamic principles, which leads to an intuitive and unambiguous formalism. The approach includes a statistically relevant time step per Monte Carlo iteration, showing a significant speed-up compared to MD simulations. This time-stamped force-bias Monte Carlo (tfMC) formalism is tested on both simple one-dimensional and three-dimensional systems. Both test-cases give excellent results in agreement with analytical solutions and literature reports. The inclusion of a time scale, the simplicity of the method, and the enhancement of the time step compared to classical MD methods make this method very appealing for studying the dynamics of many-particle systems.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000302290500001 Publication Date (down) 2012-04-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 31 Open Access
Notes Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:97160 Serial 3809
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Author Napolsky, P.S.; Drozhzhin, O.A.; Istomin, S.Y.; Kazakov, S.M.; Antipov, E.V.; Galeeva, A.V.; Gippius, A.A.; Svensson, G.; Abakumov, A.M.; Van Tendeloo, G.
Title Structure and high-temperature properties of the (Sr,Ca,Y)(Co,Mn)O3-y perovskites – perspective cathode materials for IT-SOFC Type A1 Journal article
Year 2012 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 192 Issue Pages 186-194
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Oxygen deficient perovskites Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75, were prepared by using the citrate route at 1373-1573 K for 48 h. The cubic Pm-3m perovskite structure for x=0.5 was confirmed by electron diffraction study and refined using neutron powder diffraction (NPD) data. For x=0.75, the superstructure corresponding to a=root 2 x a(per), b=2 x a(per), c=root 2 x a(per) (a(0)b(-)b(-) tilt system, space group Imma) was revealed by electron diffraction. The solid solution Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= x <= 0.6 and compound Ca0.75Y0.25Mn0.85Co0.15O2.92 were prepared in air at 1573 K for 48 h. The crystal structure of Ca0.75Y0.25Mn0.85Co0.15O2.92 was refined using NPD data (S.G. Pnma, a=5.36595(4), b=7.5091(6), c=5.2992(4) angstrom, R-p=0.057, R-wp=0.056, chi(2)=4.26). High-temperature thermal expansion properties of the prepared compounds were studied in air using both dilatometry and high-temperature X-ray powder diffraction data (HTXRPD). They expanding non-linearly at 298-1073 K due to the loss of oxygen at high temperatures. Calculated average thermal expansion coefficients (TECs) for Sr0.75Y0.25Co1-xMnxO3-y, x=0.5, 0.75 and Ca0.75Y0.25Mn0.85Co0.15O2.92(1) are 15.5, 15.1, and 13.8 ppm K-1, respectively. Anisotropy of the thermal expansion along different unit cell axes was observed for Sr0.15Ca0.6Y0.25Co0.25Mn0.75O3-y, and Ca0.75Y0.25Mn0.85Co0.15O2.92. Conductivity of Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75 increases with the temperature reaching 110 S/cm for x=0.5 and 44 S/cm for x=0.75 at 1173 K. Samples of Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= y <= 0.6 were found to be n-type conductors at room temperature with the similar temperature dependence of the conductivity and demonstrated the increase of the sigma value from similar to 1 to similar to 50 S/cm as the temperature increases from 300 to 1173 K. Their conductivity is described in terms of the small polaron charge transport with the activation energy (E-p) increasing from 340 to 430 meV with an increase of the calcium content from x=0 to x=0.6. (C) 2012 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000307028300030 Publication Date (down) 2012-03-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 5 Open Access
Notes Approved Most recent IF: 2.299; 2012 IF: 2.040
Call Number UA @ lucian @ c:irua:101119 Serial 3279
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Author Gatto Rotondo, G.; Darchuk, L.; Swaenen, M.; Van Grieken, R.
Title Micro-Raman and SEM analysis of minerals from the Darhib mine, Egypt Type A1 Journal article
Year 2012 Publication Journal of analytical sciences, methods and instrumentation Abbreviated Journal
Volume 2 Issue 1 Pages 42-47
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The Darhib mine is one of the several talc deposits in the Hamata area of southeastern Egypt. Several specimens of minerals coming from this mine were subjected to complementary investigation by micro-Raman spectrometry and scanning electron microscopy. The difficulty in their identification is the appearance of most of them: they are all very small and only visible under the mineral binocular microscope(×10 – ×40). They appear as small crystals in fissures and holes and a visual determination on colour and crystal gives only a guess of what kind of mineral it could be. Therefore, only after analyzing them by micro-Raman and scanning electron microscopy it was possible to identify their structure and they can be divided in three main groups: one is quite generic and several minerals of different species were identified, such as quartz, talc, mottramite and chrysocolla, very common in the talc mine (these ones are Si-based minerals); the other one is constituted by four samples which are Zn and/or Cu rich, which means minerals of the rosasite or aurichalcite groups; the last group is constituted by two samples containing mainly Pb..
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date (down) 2012-03-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2164-2745; 2164-2753 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:102567 Serial 8232
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Author Palgrave, R.G.; Borisov, P.; Dyer, M.S.; McMitchell, S.R.C.; Darling, G.R.; Claridge, J.B.; Batuk, M.; Tan, H.; Tian, H.; Verbeeck, J.; Hadermann, J.; Rosseinsky, M.J.;
Title Artificial construction of the layered Ruddlesden-Popper manganite La2Sr2Mn3O10 by reflection high energy electron diffraction monitored pulsed laser deposition Type A1 Journal article
Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume 134 Issue 18 Pages 7700-7714
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Pulsed laser deposition has been used to artificially construct the n = 3 Ruddlesden Popper structure La2Sr2Mn3O10 in epitaxial thin film form by sequentially layering La1-xSrxMnO3 and SrO unit cells aided by in situ reflection high energy electron diffraction monitoring. The interval deposition technique was used to promote two-dimensional SrO growth. X-ray diffraction and cross-sectional transmission electron microscopy indicated that the trilayer structure had been formed. A site ordering was found to differ from that expected thermodynamically, with the smaller Sr2+ predominantly on the R site due to kinetic trapping of the deposited cation sequence. A dependence of the out-of-plane lattice parameter on growth pressure was interpreted as changing the oxygen content of the films. Magnetic and transport measurements on fully oxygenated films indicated a frustrated magnetic ground state characterized as a spin glass-like magnetic phase with the glass temperature T-g approximate to 34 K. The magnetic frustration has a clear in-plane (ab) magnetic anisotropy, which is maintained up to temperatures of 150 K. Density functional theory calculations suggest competing antiferromagnetic and ferromagnetic long-range orders, which are proposed as the origin of the low-temperature glassy state.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000303696200029 Publication Date (down) 2012-03-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 27 Open Access
Notes Fwo; Esteem 026019 Approved Most recent IF: 13.858; 2012 IF: 10.677
Call Number UA @ lucian @ c:irua:98947UA @ admin @ c:irua:98947 Serial 153
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Author Lucena, D.; Tkachenko, D.V.; Nelissen, K.; Misko, V.R.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
Title Transition from single-file to two-dimensional diffusion of interacting particles in a quasi-one-dimensional channel Type A1 Journal article
Year 2012 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E
Volume 85 Issue 3:1 Pages 031147-031147,12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Diffusive properties of a monodisperse system of interacting particles confined to a quasi-one-dimensional channel are studied using molecular dynamics simulations. We calculate numerically the mean-squared displacement (MSD) and investigate the influence of the width of the channel (or the strength of the confinement potential) on diffusion in finite-size channels of different shapes (i.e., straight and circular). The transition from single-file diffusion to the two-dimensional diffusion regime is investigated. This transition [ regarding the calculation of the scaling exponent (alpha) of the MSD <Delta x(2)(t)> proportional to t(alpha)] as a function of the width of the channel is shown to change depending on the channel's confinement profile. In particular, the transition can be either smooth (i.e., for a parabolic confinement potential) or rather sharp (i.e., for a hard-wall potential), as distinct from infinite channels where this transition is abrupt. This result can be explained by qualitatively different distributions of the particle density for the different confinement potentials.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor
Language Wos 000302117900003 Publication Date (down) 2012-03-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 38 Open Access
Notes ; This work was supported by CNPq, FUNCAP (Pronex grant), the “Odysseus” program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), the bilateral program between Flanders and Brazil, and the collaborative program CNPq-FWO-Vl. ; Approved Most recent IF: 2.366; 2012 IF: 2.313
Call Number UA @ lucian @ c:irua:97784 Serial 3699
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Author Cagno, S.; Badano, M.B.; Mathis, F.; Strivay, D.; Janssens, K.
Title Study of medieval glass fragments from Savona (Italy) and their relation with the glass produced in Altare Type A1 Journal article
Year 2012 Publication Journal of archaeological science Abbreviated Journal J Archaeol Sci
Volume 39 Issue 7 Pages 2191-2197
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Altare was in the medieval and post-medieval period an important glassmaking center in the Liguria region in Northern Italy. The first historical evidence of glassmaking in Altare is dated to the twelfth century. In spite of that, due to the continuity of glassmaking up to the present time and the contemporaneous intensive urbanization of the territory, no medieval glass from Altare or its immediate vicinity has been analyzed up to now. In this work, glass from archaeological excavations in the center of Savona, city with close ties with the glassmaking center, was studied. Glass fragments, dated from the tenth to the sixteenth century were selected from the collections of the Archaeological Museum in Savona and non-destructively analyzed with quantitative PIXE-PIGE. The resulting compositions, compared with known glass productions of the same time and evaluated on the basis of historical documents, offer an interesting panorama on the variety of glass circulation in Liguria. (C) 2012 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000305849400027 Publication Date (down) 2012-03-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0305-4403 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.602 Times cited 21 Open Access
Notes ; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (IUAP VI/16). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. The authors gratefully acknowledge Prof. Carlo Varaldo for allowing the study of the glass preserved in the Archaeological Museum of Savona. ; Approved Most recent IF: 2.602; 2012 IF: 1.889
Call Number UA @ admin @ c:irua:100332 Serial 5849
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Author Wang, A.; Chen, F.R.; Van Aert, S.; van Dyck, D.
Title Direct structure inversion from exit waves : part 2 : a practical example Type A1 Journal article
Year 2012 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 116 Issue Pages 77-85
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract This paper is the second part of a two-part paper on direct structure inversion from exit waves. In the first part, a method has been proposed to quantitatively determine structure parameters with atomic resolution such as atom column positions, surface profile and the number of atoms in the atom columns. In this part, the theory will be demonstrated by means of a Au[110] exit wave reconstructed from a set of focal-series images. The procedures to analyze the experimentally reconstructed exit wave in terms of quantitative structure information are described in detail.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000304473700011 Publication Date (down) 2012-03-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 8 Open Access
Notes Fwo Approved Most recent IF: 2.843; 2012 IF: 2.470
Call Number UA @ lucian @ c:irua:96660 Serial 724
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Author Dixon, E.; Hadermann, J.; Hayward, M.A.
Title Structures and magnetism of La1-xSrxMnO3-(0.5+x)/2 (0.67\leq x\leq1) phases Type A1 Journal article
Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 24 Issue 8 Pages 1486-1495
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Topotactic reduction of La1-xSrxMnO3 (0.67 <= x <= 1) phases with sodium hydride yields a series of isoelectronic materials of composition La1-xSrxMnO3-(0.5+x)/2. Lanthanum rich members of the series (0.67 <= x <= 0.83) adopt anion deficient perovskite structures with a 6-layer -OTOOT'O- stacking sequence of sheets of octahedra/square-based pyramids (O) and sheets of tetrahedra (T). The strontium rich members of the series (0.83 <= x <= 1) incorporate “step defects” into this 6-layer structure in which the OTOOT'O stacking sequence is converted into either OOTOOT' or TOOT'OO at a defect plane which runs perpendicular to the [201] lattice plane. The step defects appear to provide a mechanism to relieve lattice strain and accommodate additional anion deficiency in phases with x > 0.83. Magnetization and neutron diffraction data indicate La1-xSrxMnO3-(0.5+x)/2 phases adopt antiferromagnetically ordered states at low-temperature in which the ordered arrangement of magnetic spins is incommensurate with the crystallographic lattice.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000303092300011 Publication Date (down) 2012-03-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 13 Open Access
Notes Esteem 026019 Approved Most recent IF: 9.466; 2012 IF: 8.238
Call Number UA @ lucian @ c:irua:98253 Serial 3318
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Author Clima, S.; Chen, Y.Y.; Degraeve, R.; Mees, M.; Sankaran, K.; Govoreanu, B.; Jurczak, M.; De Gendt, S.; Pourtois, G.
Title First-principles simulation of oxygen diffusion in HfOx : role in the resistive switching mechanism Type A1 Journal article
Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 100 Issue 13 Pages 133102-133102,4
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Transition metal oxide-based resistor random access memory (RRAM) takes advantage of oxygen-related defects in its principle of operation. Since the change in resistivity of the material is controlled by the oxygen deficiency level, it is of major importance to quantify the kinetics of the oxygen diffusion, key factor for oxide stoichiometry. Ab initio accelerated molecular dynamics techniques are employed to investigate the oxygen diffusivity in amorphous hafnia (HfOx, x = 1.97, 1.0, 0.5). The computed kinetics is in agreement with experimental measurements. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3697690]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000302230800060 Publication Date (down) 2012-03-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 63 Open Access
Notes Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:97786 Serial 1214
Permanent link to this record