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Author Vinchurkar, S.; De Backer, L.; Vos, W.; Van Holsbeke, C.; de Backer, J.; de Backer, W.
Title A case series on lung deposition analysis of inhaled medication using functional imaging based computational fluid dynamics in asthmatic patients : effect of upper airway morphology and comparison with in vivo data Type A1 Journal article
Year (down) 2012 Publication Inhalation Toxicology Abbreviated Journal Inhal Toxicol
Volume 24 Issue 2 Pages 81-88
Keywords A1 Journal article; Pharmacology. Therapy; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract Context: Asthma affects 20 million Americans resulting in an economic burden of approximately $18 billion in the US alone (Allergies and Asthma Foundation 2000; National Center for Environmental Health (NCEH) 1999). Research studies based on differences in patient-specific airway morphology for asthma and the associated effect on deposition of inhaled aerosols are currently not available in the literature. Therefore, the role of morphological variations such as upper airway (extrathoracic) occlusion is not well documented. Objective: Functional imaging based computational fluid dynamics (CFD) of the respiratory airways for five asthmatic subjects is performed in this study using computed tomography (CT) based patient-specific airway models and boundary conditions. Methods: CT scans for 5 asthma patients were used to reconstruct 3D lung models using segmentation software. An averaged inhalation profile and patient-specific lobar flow distribution were used to perform the simulation. The simulations were used to obtain deposition for BDP/Formoterol (R) HFA pMDI in the patient-specific airway models. Results: The lung deposition obtained using CFD was in excellent agreement with available in vivo data using the same product. Specifically, CFD resulted in 30% lung deposition, whereas in vivo lung deposition was reported to be approximately 31%. Conclusion: It was concluded that a combination of patient-specific airway models and lobar boundary conditions can be used to obtain accurate lung deposition estimates. Lower lung deposition can be expected for patients with higher extrathoracic resistance. Novel respiratory drug delivery devices need to accommodate population subgroups based on these morphological and anatomical differences in addition to subject age.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000299744800001 Publication Date 2012-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0895-8378;1091-7691; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.751 Times cited 36 Open Access
Notes ; ; Approved Most recent IF: 1.751; 2012 IF: 1.894
Call Number UA @ lucian @ c:irua:96238 Serial 286
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Author Djotyan, A.P.; Avetisyan, A.A.; Hao, Y.L.; Peeters, F.M.
Title Shallow donor near a semiconductor surface in the presence of locally spherical scanning tunneling microscope tip Type P1 Proceeding
Year (down) 2012 Publication Proceedings of the Society of Photo-optical Instrumentation Engineers T2 – Conference on Photonics and Micro and Nano-structured Materials, JUN 28-30, 2011, Yerevan, ARMENIA Abbreviated Journal
Volume Issue Pages 84140-84148
Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We developed a variational approach to investigate the ground state energy and the extend of the wavefunction of a neutral donor located near a semiconductor surface in the presence of scanning tunneling microscope (STM) metallic tip. We apply the effective mass approximation and use a variational wavefunction that takes into account the influence of all image charges that arise due to the presence of a metallic tip. The behavior of the ground state energy when the tip approaches the semiconductor surface is investigated.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000303856600020 Publication Date 2012-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume 8414 Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy. One of us (AAA) was supported by a fellowship from the Belgian Federal Science Policy Office (Belspo). ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:113047 Serial 2987
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Author Avetisyan, A.A.; Partoens, B.; Peeters, F.M.
Title Electric field tuning of the band gap in four layers of graphene with different stacking order Type P1 Proceeding
Year (down) 2012 Publication Proceedings of the Society of Photo-optical Instrumentation Engineers T2 – Conference on Photonics and Micro and Nano-structured Materials, JUN 28-30, 2011, Yerevan, ARMENIA Abbreviated Journal
Volume Issue Pages 84140-84148
Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We investigated the effect of different stacking order of the four graphene layer system on the induced band gap when positively charged top and negatively charged back gates are applied to the system. A tight-binding approach within a self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We show that the electric field does not open an energy gap if the multilayer graphene system contains a trilayer part with the ABA Bernal stacking.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000303856600012 Publication Date 2012-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume 8414 Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), and the BelgianScience Policy (IAP). One of us (A.A.A.) was supported by a fellowship from the Belgian Federal Science Policy Office (BELSPO). ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:113046 Serial 886
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Author Sels, D.; Brosens, F.; Magnus, W.
Title On the path integral representation of the Wigner function and the BarkerMurray ansatz Type A1 Journal article
Year (down) 2012 Publication Physics letters : A Abbreviated Journal Phys Lett A
Volume 376 Issue 6/7 Pages 809-812
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract The propagator of the Wigner function is constructed from the WignerLiouville equation as a phase space path integral over a new effective Lagrangian. In contrast to a paper by Barker and Murray (1983) [1], we show that the path integral can in general not be written as a linear superposition of classical phase space trajectories over a family of non-local forces. Instead, we adopt a saddle point expansion to show that the semiclassical Wigner function is a linear superposition of classical solutions for a different set of non-local time dependent forces. As shown by a simple example the specific form of the path integral makes the formulation ideal for Monte Carlo simulation.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000301167300005 Publication Date 2012-01-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0375-9601; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.772 Times cited 7 Open Access
Notes ; ; Approved Most recent IF: 1.772; 2012 IF: 1.766
Call Number UA @ lucian @ c:irua:94006 Serial 2445
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Author Kao, K.-H.; Verhulst, A.S.; Vandenberghe, W.G.; Sorée, B.; Groeseneken, G.; De Meyer, K.
Title Modeling the impact of junction angles in tunnel field-effect transistors Type A1 Journal article
Year (down) 2012 Publication Solid state electronics Abbreviated Journal Solid State Electron
Volume 69 Issue Pages 31-37
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We develop an analytical model for a tunnel field-effect transistor (TFET) with a tilted source junction angle. The tunnel current is derived by using circular tunnel paths along the electric field. The analytical model predicts that a smaller junction angle improves the TFET performance, which is supported by device simulations. An analysis is also made based on straight tunnel paths and tunnel paths corresponding to the trajectory of a classical particle. In all the aforementioned cases, the same conclusions are obtained. A TFET configuration with an encroaching polygon source junction is studied to analyze the junction angle dependence at the smallest junction angles. The improvement of the subthreshold swing (SS) with decreasing junction angle can be achieved by using thinner effective oxide thickness, smaller band gap material and longer encroaching length of the encroaching junction. A TFET with a smaller junction angle on the source side also has an innate immunity against the degradation of the fringing field from the gate electrode via a high-k spacer. A large junction angle on the drain side can suppress the unwanted ambipolar current of TFETs. (c) 2011 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000301561600009 Publication Date 2012-01-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1101; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.58 Times cited 9 Open Access
Notes ; We acknowledge the input on nanowire processing of Rita Rooyackers and useful discussions with Wim Magnus. William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was also supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 1.58; 2012 IF: 1.482
Call Number UA @ lucian @ c:irua:97816 Serial 2145
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Author Hellar-Kihampa, H.; Potgieter-Vermaak, S.; van Meel, K.; Gatto Rotondo, G.; Kishimba, M.; Van Grieken, R.
Title Elemental composition of bottom-sediments from Pangani river basin, Tanzania : lithogenic and anthropogenic sources Type A1 Journal article
Year (down) 2012 Publication Toxicological and environmental chemistry Abbreviated Journal
Volume 94 Issue 3 Pages 525-544
Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract River-bed sediments from the Pangani basin, Tanzania, were characterized for elemental compositions, following contamination risks from rapid expansions of human activities in the area. Samples were collected during two individual seasons and analyzed by high-polarizing beam energy dispersive X-ray fluorescence (EDXRF) for eight major and 14 trace elements. Evaluation of enrichment factors (EFs) was used to investigate the elemental flux and assess the contributions of natural and anthropogenic influences. The abundances of the major elements followed the order Si > Al > Fe > Ca > K > Ti > Mn > P, similar to that of the upper earth's crust, and were generally from the weathering of the bed-rock. The high concentrations of typical anthropogenic trace-elements (Cr < 160 mg kg−1, V < 85 mg kg−1, Ni < 60 mg kg−1, Cu < 87 mg kg−1, La < 90 mg kg−1) coupled with high EFs (>2) in some locations indicated contamination associated with agricultural and industrial activities. Factor analysis extracted five principal components that contributed to 96.0% of the total observed variance. The results indicated that river-bed sediments of the Pangani basin were influenced to a larger extent by lithogenic sources than anthropogenic impacts.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000304276100007 Publication Date 2012-01-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0277-2248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:97080 Serial 7889
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Author Maes, D.; Van Passel, S.
Title Interference of regional support policies on the economic and environmental performance of a hybrid cogeneration-solar panel energy system Type A1 Journal article
Year (down) 2012 Publication Energy Policy Abbreviated Journal Energ Policy
Volume 42 Issue Pages 670-680
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract This paper assesses unintentional interference between different public policies promoting energy efficiency and renewable energy. The paper develops a methodology to study the interference by analysing the economic and technical behaviour of a hybrid energy system. The hybrid energy system in this case consists of an existing cogeneration unit extended with a new installation of thermal solar panels. This puts two complementary heating technologies in juxtaposition. The two technologies are supported with distinct regional support instruments in each region. The design and operation of the energy system is optimised from the point of view of the investor according to the different support instruments. The optimal configuration is analysed as well as its effect on reduced CO2-emissions during the lifetime of the project. The methodology is applied to a case-study for two neighbouring regions, the Netherlands and Flanders. The policies in the Netherlands show a beneficial synergy. In Flanders, the hybrid energy system is not interesting, indicating unbalanced high support for cogeneration in this case. From the point of view of the authorities, a more balanced regional policy as in the Netherlands provides a larger CO2-emission reduction for a smaller cost. (C) 2012 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000301616000066 Publication Date 2012-01-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0301-4215; 1873-6777 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.14 Times cited 4 Open Access
Notes ; The authors would especially like to thank Davy Duelen for the excellent case-study and data collection that enabled the present paper. The help and information provided by Pierre Gijsen also made the detailed assessment possible. We are also indebted to two anonymous reviewers, whose remarks strongly improved the paper. This project has been financed by the Impulse-project of the tUL (transnational University Limburg). ; Approved Most recent IF: 4.14; 2012 IF: 2.743
Call Number UA @ admin @ c:irua:127558 Serial 6220
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Author Lobato, I.; van Dyck, D.
Title Improved multislice calculations for including higher-order Laue zones effects Type A1 Journal article
Year (down) 2012 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 119 Issue Pages 63-71
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract A new method for including higher-order Laue zones (HOLZs) effects in an efficient way in electron scattering simulations has been developed and tested by detail calculations. The calculated results by the conventional multislice (CMS) method and the improved conventional multislice (ICMS) method using a large dynamical aperture to avoid numerical errors are compared with accurate results. We have found that the zero-order Laue zones (ZOLZs) reflection cannot be properly described only using the projected potential in the whole unit cell; in general, we need to subslice the electrostatic potential inside the unit cell. It is shown that the ICMS method has higher accuracy than the CMS method for the calculation of the ZOLZ, HOLZ and Pseudo-HOLZ reflections. Hence, ICMS method allows to use a larger slice thickness than the CMS method and reduces the calculation time. (C) 2012 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000308079200011 Publication Date 2012-01-14
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 6 Open Access
Notes Approved Most recent IF: 2.843; 2012 IF: 2.470
Call Number UA @ lucian @ c:irua:101902 Serial 1567
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Author Meul, M.; Van Passel, S.; Fremaut, D.; Haesaert, G.
Title Higher sustainability performance of intensive grazing versus zero-grazing dairy systems Type A1 Journal article
Year (down) 2012 Publication Agronomy For Sustainable Development Abbreviated Journal Agron Sustain Dev
Volume 32 Issue 3 Pages 629-638
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Although grazing of dairy cows is an integral part of dairy farming in many European countries, farmers today more often choose for zero-grazing systems, where cows are housed throughout the year. Some studies already compared grazing and zero-grazing systems for specific issues such as labor efficiency, environmental impact, or animal welfare. In our study, we perform a more integrated evaluation, considering relevant ecological, economic, and social aspects. This allows for a balanced and more complete comparison of the sustainability performance of the two production methods. We evaluated ten intensive grazing and ten zero-grazing specialized Flemish dairy farms on the use of nutrients and energy, productivity and profitability, labor input, and animal welfare. In addition, we put special effort in formulating useful management advice for farmers. Therefore, we combined a detailed analysis of the sustainability indicators with an intensive interaction and discussion with farmers and farm advisors. Results show that, on average, the zero-grazing farms performed significantly worse from an ecological and economic point of view. This fact is explained mainly due to a less efficient use of concentrates and byproducts. Social sustainability performance did not differ significantly between the two groups. As a result, the integrated sustainability performance was significantly lower for the zero-grazing group. This finding shows that a further shift from intensive grazing to zero-grazing can move dairy farming in Flanders further away from sustainability. An important advice to improve the ecological and economic performance of zero-grazing farms is to optimize cows' rations to include more forages and optimize forage production and use. More detailed site- and case-specific management advice for farmers of both groups was provided during a discussion meeting. We consider this an essential additional step to any sustainability evaluation, since progress can only be made when monitoring results are translated into practical measures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000306061800003 Publication Date 2012-01-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1774-0746 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.101 Times cited 26 Open Access
Notes ; ; Approved Most recent IF: 4.101; 2012 IF: 3.573
Call Number UA @ admin @ c:irua:127557 Serial 6209
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Author Gardner, G.P.; Go, Y.B.; Robinson, D.M.; Smith, P.F.; Hadermann, J.; Abakumov, A.; Greenblatt, M.; Dismukes, G.C.
Title Structural requirements in lithium cobalt oxides for the catalytic oxidation of water Type A1 Journal article
Year (down) 2012 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
Volume 51 Issue 7 Pages 1616-1619
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000299946400020 Publication Date 2012-01-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited 119 Open Access
Notes Approved Most recent IF: 11.994; 2012 IF: 13.734
Call Number UA @ lucian @ c:irua:99173 Serial 3258
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Author Vagov, A.V.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M.
Title Extended Ginzburg-Landau formalism : systematic expansion in small deviation from the critical temperature Type A1 Journal article
Year (down) 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 1 Pages 014502-014502,17
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Based on the Gor'kov formalism for a clean s-wave superconductor, we develop an extended version of the single-band Ginzburg-Landau (GL) theory by means of a systematic expansion in the deviation from the critical temperature T(c), i.e., tau = 1 – T/T(c). We calculate different contributions to the order parameter and the magnetic field: the leading contributions (proportional to tau(1/2) in the order parameter and. t in the magnetic field) are controlled by the standard GL theory, while the next-to-leading terms (proportional to tau(3/2) in the gap and proportional to tau(2) in the magnetic field) constitute the extended GL (EGL) approach. We derive the free-energy functional for the extended formalism and the corresponding expression for the current density. To illustrate the usefulness of our formalism, we calculate, in a semianalytical form, the temperature-dependent correction to the GL parameter at which the surface energy becomes zero, and analytically, the temperature dependence of the thermodynamic critical field. We demonstrate that the EGL formalism is not just a mathematical extension to the theory: variations of both the gap and the thermodynamic critical field with temperature calculated within the EGL theory are found in very good agreement with the full BCS results down to low temperatures, which dramatically improves the applicability of the formalism compared to its standard predecessor.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000298985100002 Publication Date 2012-01-10
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 36 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). A. V. V. is grateful to V. Zalipaev for important comments. A. A. S. thanks W. Pogosov for helpful notes. Discussions with E. H. Brandt and A. Perali are appreciated. ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:96232 Serial 1155
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Author Hardy, A.; Van Elshocht, S.; De Dobbelaere, C.; Hadermann, J.; Pourtois, G.; De Gendt, S.; Afanas'ev, V.V.; Van Bael, M.K.
Title Properties and thermal stability of solution processed ultrathin, high-k bismuth titanate (Bi2Ti2O7) films Type A1 Journal article
Year (down) 2012 Publication Materials research bulletin Abbreviated Journal Mater Res Bull
Volume 47 Issue 3 Pages 511-517
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Ultrathin bismuth titanate films (Bi2Ti2O7, 5-25 nm) are deposited onto SiO2/Si substrates by aqueous chemical solution deposition and their evolution during annealing is studied. The films crystallize into a preferentially oriented, pure pyrochlore phase between 500 and 700 degrees C, depending on the film thickness and the total thermal budget. Crystallization causes a strong increase of surface roughness compared to amorphous films. An increase of the interfacial layer thickness is observed after anneal at 600 degrees C, together with intermixing of bismuth with the substrate as shown by TEM-EDX. The band gap was determined to be similar to 3 eV from photoconductivity measurements and high dielectric constants between 30 and 130 were determined from capacitance voltage measurements, depending on the processing conditions. (C) 2012 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000301994100001 Publication Date 2012-01-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0025-5408; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.446 Times cited Open Access
Notes Approved Most recent IF: 2.446; 2012 IF: 1.913
Call Number UA @ lucian @ c:irua:97797 Serial 2727
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Author Zhao, H.J.; Misko, V.R.; Peeters, F.M.
Title Vortex configurations with non-monotonic interaction Type A1 Journal article
Year (down) 2012 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 479 Issue Pages 130-133
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The pattern formation of the vortex states with non-monotonic inter-vortex interaction is investigated. Our applied model has a short-range repulsive (r < r(c)) and long-range attractive (r > r(c)) potential. We numerically calculate the stable states using molecular-dynamics simulations. The obtained vortex patterns are comparable with the vortices states in low kappa type-II superconductors and recently discovered "type-1.5'' superconductors. We also analyze the nearest neighbor distribution of the obtained patterns. (C) 2012 Published by Elsevier B.V.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000308580600030 Publication Date 2012-01-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.404 Times cited 9 Open Access
Notes ; We acknowledge fruitful discussions with Ernst Helmut Brandt. This work was supported by the "Odysseus'' Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl), the IAP and FWO-Vl. ; Approved Most recent IF: 1.404; 2012 IF: 0.718
Call Number UA @ lucian @ c:irua:101872 Serial 3864
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Author Wang, A.; Van Aert, S.; Goos, P.; van Dyck, D.
Title Precision of three-dimensional atomic scale measurements from HRTEM images : what are the limits? Type A1 Journal article
Year (down) 2012 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 114 Issue Pages 20-30
Keywords A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT); Vision lab
Abstract In this paper, we investigate to what extent high resolution transmission electron microscopy images can be used to measure the mass, in terms of thickness, and surface profile, corresponding to the defocus offset, of an object at the atomic scale. Therefore, we derive an expression for the statistical precision with which these object parameters can be estimated in a quantitative analysis. Evaluating this expression as a function of the microscope settings allows us to derive the optimal microscope design. Acquiring three-dimensional structure information in terms of thickness turns out to be much more difficult than obtaining two-dimensional information on the projected atom column positions. The attainable precision is found to be more strongly affected by processes influencing the image contrast, such as phonon scattering, than by the specific choice of microscope settings. For a realistic incident electron dose, it is expected that atom columns can be distinguished with single atom sensitivity up to a thickness of the order of the extinction distance. A comparable thickness limit is determined to measure surface steps of one atom. An increase of the electron dose shifts the limiting thickness upward due to an increase in the signal-to-noise ratio.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000301954300003 Publication Date 2012-01-06
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 5 Open Access
Notes Fwo Approved Most recent IF: 2.843; 2012 IF: 2.470
Call Number UA @ lucian @ c:irua:94116 Serial 2692
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Author Vodolazov, D.Y.; Peeters, F.M.
Title Enhancement of the retrapping current of superconducting microbridges of finite length Type A1 Journal article
Year (down) 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 2 Pages 024508-024508,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We theoretically find that the resistance of a superconducting microbridge or nanowire decreases while the retrapping current I(r) for the transition to the superconducting state increases when one suppresses the magnitude of the order parameter vertical bar Delta vertical bar in the attached superconducting leads. This effect is a consequence of the increased energy interval for diffusion of the “hot” nonequilibrium quasiparticles (induced by the oscillations of vertical bar Delta vertical bar in the center of the microbridge) to the leads. The effect is absent in short microbridges (with length less than the coherence length) and it is relatively weak in long microbridges (with length larger than the inelastic relaxation length of the nonequilibrium distribution function). A nonmonotonous dependence of I(r) on the length of the microbridge is predicted. Our results are important for the explanation of the enhancement of the critical current and the appearance of negative magnetoresistance observed in many recent experiments on superconducting microbridges or nanowires.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000298863400005 Publication Date 2012-01-06
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 7 Open Access
Notes ; This work was supported by the Russian Foundation for Basic Research, Russian Agency of Education, under the Federal Target Programme “Scientific and Educational Personnel of Innovative Russia in 2009-2013” and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:96235 Serial 1065
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Author Rønnow, T.F.; Pedersen, T.G.; Partoens, B.
Title Biexciton binding energy in fractional dimensional semiconductors Type A1 Journal article
Year (down) 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 4 Pages 045412-045412,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Biexcitons in fractional dimensional spaces are studied using variational quantum Monte Carlo. We investigate the biexciton binding energy as a function of the electron-hole mass fraction sigma as well as study the dimensional dependence of biexcitons for sigma = 0 and sigma = 1. As our first application of this model we treat the H(2) molecule in two and three dimensions. Next we investigate biexcitons in carbon nanotubes within the fractional dimensional model. To this end we find a relation between the nanotube radius and the effective dimension. The results of both applications are compared with results obtained using different models and we find a reasonable agreement. Within the fractional dimensional model we find that the biexciton binding energy in carbon nanotubes accurately scales as E(B)(r,epsilon) = 1280 meV angstrom/(r epsilon), as a function of radius r and the dielectric screening epsilon.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000298922200008 Publication Date 2012-01-06
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 21 Open Access
Notes ; ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:96234 Serial 231
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Author Roelandts, T.; Batenburg, K.J.; Biermans, E.; Kübel, C.; Bals, S.; Sijbers, J.
Title Accurate segmentation of dense nanoparticles by partially discrete electron tomography Type A1 Journal article
Year (down) 2012 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 114 Issue Pages 96-105
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract Accurate segmentation of nanoparticles within various matrix materials is a difficult problem in electron tomography. Due to artifacts related to image series acquisition and reconstruction, global thresholding of reconstructions computed by established algorithms, such as weighted backprojection or SIRT, may result in unreliable and subjective segmentations. In this paper, we introduce the Partially Discrete Algebraic Reconstruction Technique (PDART) for computing accurate segmentations of dense nanoparticles of constant composition. The particles are segmented directly by the reconstruction algorithm, while the surrounding regions are reconstructed using continuously varying gray levels. As no properties are assumed for the other compositions of the sample, the technique can be applied to any sample where dense nanoparticles must be segmented, regardless of the surrounding compositions. For both experimental and simulated data, it is shown that PDART yields significantly more accurate segmentations than those obtained by optimal global thresholding of the SIRT reconstruction.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000301954300011 Publication Date 2012-01-06
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 34 Open Access
Notes Fwo Approved Most recent IF: 2.843; 2012 IF: 2.470
Call Number UA @ lucian @ c:irua:97710 Serial 52
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Author Nagy, N.V.; Van Doorslaer, S.; Szabó-Plánka, T.; Van Rompaey, S.; Hamza, A.; Fülöp, F.; Tóth, G.K.; Rockenbauer, A.
Title Copper(II)-binding ability of stereoisomeric cis- and trans-2-aminocyclohexanecarboxylic acidl-phenylalanine dipeptides : a combined CW/pulsed EPR and DFT study Type A1 Journal article
Year (down) 2012 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 51 Issue 3 Pages 1386-1399
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract With the aim of an improved understanding of the metal-complexation properties of alicyclic β-amino acid stereoisomers, and their peptides, the complex equilibria and modes of coordination with copper(II) of l-phenylalanine (F) derivatives of cis/trans-2-aminocyclohexanecarboxylic acid (c/tACHC), i.e. the dipeptides F-c/tACHC and c/tACHC-F, were investigated by a combination of CW and pulsed EPR methods. For the interpretation of the experimental data, DFT quantum-chemical calculations were carried out. Simulation of a pH-dependent series of room-temperature CW-EPR spectra revealed the presence of EPR-active complexes ([Cu(aqua)]2+, [CuL]+, [CuLH1], [CuLH2]−, and [CuL2H1]−), and an EPR-inactive species ([Cu2L2H3]−) in aqueous solutions for all studied cases. [CuLH]2+ was included in the equilibrium model for the c/tACHC-Fcopper(II) systems, and [CuL2], together with two coordination isomers of [CuL2H1]−, were also identified in the F-tACHCcopper(II) system. Comparison of the complexation properties of the diastereomeric ligand pair F-(1S,2R)-ACHC and F-(1R,2S)-ACHC did not reveal significant differences. Considerably lower formation constants were obtained for the trans than for the cis isomers for both the F-c/tACHC and the c/tACHC-F pairs in the case of [CuLH1] involving tridentate coordination by the amino, the deprotonated peptide, and the carboxylate groups. A detailed structural analysis by pulsed EPR methods and DFT calculations indicated that there was no significant destabilization for the complexes of the trans isomers. The lower stability of their complexes was explained by the limitation that only the conformer with donor groups in equatorialequatorial ring positions can bind to copper(II), whereas both equatorial-axial conformers of the cis isomers are capable of binding. From a consideration of the proton couplings obtained with X-band 1H HYSCORE, 2H exchange experiments, and DFT, the thermodynamically most stable cyclohexane ring conformer was assigned for all four [CuLH1] complexes. For the F-cACHC case, the conformer did not match the most stable conformer of the free ligand.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000300474700029 Publication Date 2012-01-06
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 18 Open Access
Notes Approved Most recent IF: 4.857; 2012 IF: 4.593
Call Number UA @ lucian @ c:irua:96729 Serial 515
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Author Lin, N.S.; Misko, V.R.; Heitmann, T.W.; Yu, K.; Plourde, B.L.T.
Title Density dependence of the rectification of vortex motion in a circular asymmetric channel Type A1 Journal article
Year (down) 2012 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 479 Issue Pages 137-139
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the rectification of vortex motion in an asymmetric ring channel in a Corbino setup. With an applied ac current, the motion of vortices in the channel is rectified by the asymmetric potential and induces a dc net flow. The net flow in such a system strongly depends on vortex density, and we distinguish “single-vortex'' rectification regime (for low density, when each vortex is rectified individually) determined by the potential-energy landscape inside each cell of the channel and ”multi-vortex'', or "collective'', rectification (high density case) when the interaction between vortices becomes important. (C) 2012 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000308580600032 Publication Date 2012-01-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.404 Times cited Open Access
Notes ; This work was supported by the "Odysseus'' Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl), the Interuniversity Attraction Poles (IAP) Programme – Belgian State – Belgian Science Policy, and the FWO-Vl (Belgium). ; Approved Most recent IF: 1.404; 2012 IF: 0.718
Call Number UA @ lucian @ c:irua:101873 Serial 635
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Author Godoi, R.H.M.; Hirata, P.Y.; Bitterncourt, A.V.L.; Godoi, A.F.L.; Potgieter-Vermaak, S.; Gatto Rotondo, G.; Van Grieken, R.; et al.
Title Geochemical assessment of a subtropical reservoir : a case study in Curitiba, Southern Brazil Type A1 Journal article
Year (down) 2012 Publication Clean : soil, air, water Abbreviated Journal
Volume 40 Issue 4 Pages 364-372
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Suspended particles and dissolved substances in water provide reactive surfaces, influence metabolic activity and contribute to the net sediment deposition. It therefore plays an important part in the ecology and quality of the water mass. The water quality in reservoirs is crucial and it is naturally maintained by flushing and sedimentation, which continuously remove phosphorus from the water. In some reservoirs, however, these removal processes are countered by recycling of ions which could play a key role to start and/or maintain the eutrophic state. The combination of macro-, trace- and microanalysis techniques can be useful to trace pollution sources through a chemical fingerprint, whether be during an acute environmental disaster or a long-term release of pollutants. The water quality and total metal content of reservoir sediments were assessed in a reservoir, situated in the capital of the Paraná State, in the South-Eastern part of Brazil. The goal of this paper was to determine the metal presence in the sediment and metal and ionic speciation in the Green River reservoir water. Water and bed sediment samples, collected from various sites during 2008 and 2009, were investigated using XRF, ICP-OES, ICP-MS, XRD and zeta potential measurements. Based on the results, the heavy metal concentration and chemical composition of the suspended matter in the water samples, as well as the sediment's chemical composition will be discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000302607800005 Publication Date 2012-01-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1863-0650 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:96973 Serial 7993
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Author Komendová, L.; Shanenko, A.A.; Milošević, M.V.; Peeters, F.M.
Title The healing lengths in two-band superconductors in extended Ginzburg-Landau theory Type A1 Journal article
Year (down) 2012 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 479 Issue Pages 126-129
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the vortex profiles in two-gap superconductors using the extended Ginzburg-Landau theory. The results shed more light on the disparity between the effective length scales in two bands. We compare the behavior expected from the standard Ginzburg-Landau theory with this new approach, and find good qualitative agreement in the case of LiFeAs. (C) 2011 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000308580600029 Publication Date 2012-01-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.404 Times cited 1 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-INSTANS network. ; Approved Most recent IF: 1.404; 2012 IF: 0.718
Call Number UA @ lucian @ c:irua:101871 Serial 3585
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Author de Oliveira, E.L.; Albuquerque, E.L.; de Sousa, J.S.; Farias, G.A.; Peeters, F.M.
Title Configuration-interaction excitonic absorption in small Si/Ge and Ge/Si core/shell nanocrystals Type A1 Journal article
Year (down) 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 116 Issue 7 Pages 4399-4407
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The excitonic properties of Si(core)/Ge(shell) and Ge(core)/Si(shell) nanocrystals (NC's) with diameters of similar to 1.9 nm are investigated using a combination density functional ab initio method to obtain the single particle wave functions and a configuration interaction method to compute the exciton fine structure and absorption coefficient. These core/shell structures exhibit type II confinement, which is more pronounced for the Si/Ge NC as a consequence of strain. The absorption coefficients of these NC's exhibit a single dominant peak, which has a much larger oscillator strength than the multipeaks found for pure Si and Ge NC's. The exciton lifetime in Si, Ge, and Ge/Si shows a small i:emperature dependence in the range 10-300 K, whereas in Si/Ge, the exciton lifetime decreases more than an order of magnitude in the same temperature range.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000301156500007 Publication Date 2012-01-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 44 Open Access
Notes ; The authors acknowledge financial support from CNPq and the bilateral program between Flanders and Brazil and the Belgian Science Foundation (IAP). ; Approved Most recent IF: 4.536; 2012 IF: 4.814
Call Number UA @ lucian @ c:irua:113045 Serial 482
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Author Cagno, S.; Favaretto, L.; Mendera, M.; Izmer, A.; Vanhaecke, F.; Janssens, K.
Title Evidence of early medieval soda ash glass in the archaeological site of San Genesio (Tuscany) Type A1 Journal article
Year (down) 2012 Publication Journal of archaeological science Abbreviated Journal J Archaeol Sci
Volume 39 Issue 5 Pages 1540-1552
Keywords A1 Journal article; Philosophy; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The early medieval period marks an important turning point in the history of glassmaking, since it comprises the transition period between the mineral-based silica-soda-lime glass of the Roman tradition and the plant ash-based glass. With the aim of expanding the knowledge on the glass recipes and technologies of this period, 37 glass samples were analyzed, originating from the archaeological excavations of San Genesio (Tuscany) and dated from the fourth to the eleventh century. The major and minor element concentrations were measured with SEM-EDX, while the trace elements were quantified with LA-ICP-MS. The results were compared with published compositions of glass samples of similar age in order to highlight differences and similarities. The results offer a very interesting view on the glass circulation in the religious/residential/manufacturing center of San Genesio in the early medieval period. Most of the glass has a typical late-Roman composition, but some glass fragments are identified as soda ash glass. These are among the earliest medieval ash-fluxed glasses ever found in the Italian peninsula. (C) 2011 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000301620900034 Publication Date 2012-01-02
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 24 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. ; Approved Most recent IF: 2.602; 2012 IF: 1.889
Call Number UA @ admin @ c:irua:98251 Serial 5618
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Author Van Aert, S.; Turner, S.; Delville, R.; Schryvers, D.; Van Tendeloo, G.; Salje, E.K.H.
Title Direct observation of ferrielectricity at ferroelastic domain boundaries in CaTiO3 by electron microscopy Type A1 Journal article
Year (down) 2012 Publication Advanced materials Abbreviated Journal Adv Mater
Volume 24 Issue 4 Pages 523-527
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract High-resolution aberration-corrected transmission electron microscopy aided by statistical parameter estimation theory is used to quantify localized displacements at a (110) twin boundary in orthorhombic CaTiO3. The displacements are 36 pm for the Ti atoms and confined to a thin layer. This is the first direct observation of the generation of ferroelectricity by interfaces inside this material which opens the door for domain boundary engineering.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000299156400011 Publication Date 2011-12-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0935-9648; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 19.791 Times cited 150 Open Access
Notes Fwo Approved Most recent IF: 19.791; 2012 IF: 14.829
Call Number UA @ lucian @ c:irua:94110 Serial 717
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Author Wang, H.; Cuppens, J.; Biermans, E.; Bals, S.; Fernandez-Ballester, L.; Kvashnina, K.O.; Bras, W.; van Bael, M.J.; Temst, K.; Vantomme, A.
Title Tuning of the size and the lattice parameter of ion-beam synthesized Pb nanoparticles embedded in Si Type A1 Journal article
Year (down) 2012 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 45 Issue 3 Pages 035301-035301,7
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The size and lattice constant evolution of Pb nanoparticles (NPs) synthesized by high fluence implantation in crystalline Si have been studied with a variety of experimental techniques. Results obtained from small-angle x-ray scattering showed that the Pb NPs grow with increasing implantation fluence and annealing duration. The theory of NP growth kinetics can be applied to qualitatively explain the size evolution of the Pb NPs during the implantation and annealing processes. Moreover, the lattice constant of the Pb NPs was evaluated by conventional x-ray diffraction. The lattice dilatation was observed to decrease with increasing size of the Pb NPs. Such lattice constant tuning can be attributed to the pseudomorphism caused by the lattice mismatch between the Pb NPs and the Si matrix.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000299308400008 Publication Date 2011-12-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 5 Open Access
Notes Fwo; Iap Approved Most recent IF: 2.588; 2012 IF: 2.528
Call Number UA @ lucian @ c:irua:94208 Serial 3754
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Author Ustarroz, J.; Ke, X.; Hubin, A.; Bals, S.; Terryn, H.
Title New insights into the early stages of nanoparticle electrodeposition Type A1 Journal article
Year (down) 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 116 Issue 3 Pages 2322-2329
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Electrodeposition is an increasingly important method to synthesize supported nanoparticles, yet the early stages of electrochemical nanoparticle formation are not perfectly understood. In this paper, the early stages of silver nanoparticle electrodeposition on carbon substrates have been studied by aberration-corrected TEM, using carbon-coated TEM grids as electrochemical electrodes. In this manner we have access to as-deposited nanoparticle size distribution and structural characterization at the atomic scale combined with electrochemical measurements, which represents a breakthrough in a full understanding of the nanoparticle electrodeposition mechanisms. Whereas classical models, based upon characterization at the nanoscale, assume that electrochemical growth is only driven by direct attachment, the results reported hereafter indicate that early nanoparticle growth is mostly driven by nanocluster surface movement and aggregation. Hence, we conclude that electrochemical nulceation and growth models should be revised and that an electrochemical aggregative growth mechanism should be considered in the early stages of nanoparticle electrodeposition.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000299584400037 Publication Date 2011-12-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 104 Open Access
Notes Fwo Approved Most recent IF: 4.536; 2012 IF: 4.814
Call Number UA @ lucian @ c:irua:96225 Serial 2316
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Author Chernov, S.V.; Dobrovolsky, Y.A.; Istomin, S.Y.; Antipov, E.V.; Grins, J.; Svensson, G.; Tarakina, N.V.; Abakumov, A.M.; Van Tendeloo, G.; Eriksson, S.G.; Rahman, S.M.H.;
Title _Sr{2}GaScO5, Sr10Ga6Sc4O25, and SrGa0.75Sc0.25O2.5 : a play in the octahedra to tetrahedra ratio in oxygen-deficient perovskites Type A1 Journal article
Year (down) 2012 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 51 Issue 2 Pages 1094-1103
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Three different perovskite-related phases were isolated in the SrGa(1-x)Sc(x)O(2.5) system: Sr(2)GaScO(5), Sr(10)Ga(6)Sc(4)O(25), and SrGa(0.75)Sc(0.25)O(2.5), Sr(2)GaScO(5) (x = 0.5) crystallizes in a brownrnillerite-type structure [space group (S.G.) Icmm, a = 5.91048(5) angstrom, b = 15.1594(1) angstrom, and c = 5.70926(4) angstrom] with complete ordering of Sc(3+) and Ga(3+) over octahedral and tetrahedral positions, respectively. The crystal structure of Sr(10)Ga(6)Sc(4)O(25) (x = 0.4) was determined by the Monte Carlo method and refined using a combination of X-ray, neutron, and electron diffraction data [S.G. I4(1)/a, a = 17.517(1) angstrom, c = 32.830(3) angstrom]. It represents a novel type of ordering of the B cations and oxygen vacancies in perovskites. The crystal structure of Sr(10)Ga(6)Sc(4)O(25) can be described as a stacking of eight perovskite layers along the c axis ...[-(Sc/Ga)O(1.6)-SrO(0.8)-(Sc/Ga)O(1.8)-SrO(0.8)-](2 center dot center dot center dot) Similar to Sr(2)GaScO(5), this structure features a complete ordering of the Sc(3+) and Ga(3+) cations over octahedral and tetrahedral positions, respectively, within each layer. A specific feature of the crystal structure of Sr(10)Ga(6)Sc(4)O(25) is that one-third of the tetrahedra have one vertex not connected with other Sc/Ga cations. Further partial replacement of Sc(3+) by Ga(3+) leads to the formation of the cubic perovskite phase SrGa(0.75)Sc(0.25)O(2.5) (x = 0.25) with a = 3.9817(4) angstrom. This compound incorporates water molecules in the structure forming SrGa(0.75)Sc(0.25)O(2.5)center dot xH(2)O hydrate, which exhibits a proton conductivity of similar to 2.0 x 10(-6) S/cm at 673 K.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000299028800042 Publication Date 2011-12-22
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 14 Open Access
Notes Approved Most recent IF: 4.857; 2012 IF: 4.593
Call Number UA @ lucian @ c:irua:96229 Serial 3559
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Author Lebedev, O.I.; Turner, S.; Liu, S.; Cool, P.; Van Tendeloo, G.
Title New nano-architectures of mesoporous silica spheres analyzed by advanced electron microscopy Type A1 Journal article
Year (down) 2012 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 4 Issue 5 Pages 1722-1727
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract Using template-containing silica microspheres as a precursor, novel ordered mesoporous silica nanoparticles with a narrow pore size distribution and high crystallinity have been synthesized by various hydrothermal merging processes. Several architectures like chains, dumbbells, triangles, squares and flowers have been discovered. The linking mechanisms of these interacting silica spheres leading to the formation of ordered nano-structures are studied by HRTEM, HAADF-STEM and electron tomography and a plausible model is presented for several merging processes.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000300433700051 Publication Date 2011-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 5 Open Access
Notes Fwo Approved Most recent IF: 7.367; 2012 IF: 6.233
Call Number UA @ lucian @ c:irua:95038 Serial 2328
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Author Coghe, F.; Tirry, W.; Rabet, L.; Schryvers, D.; Van Houtte, P.
Title Importance of twinning in static and dynamic compression of a Ti-6Al-4V titanium alloy with an equiaxed microstructure Type A1 Journal article
Year (down) 2012 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 537 Issue Pages 1-10
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Whereas deformation twinning is known to be an important deformation mechanism for hexagonal materials like magnesium and pure titanium, so far almost no literature exists on the twinning behaviour of the Ti-6Al-4V alloy. In this work it was shown that the activation of twinning as a deformation mechanism could have a pronounced effect on the mechanical behaviour of the Ti-6Al-4V alloy. This effect is even more pronounced under dynamic loading conditions. Transmission electron microscopy showed that only the {1 0 1 2}{1 0 1 1} tensile twin system was activated under certain loading conditions. Light-optical microscopy and electron backscatter diffraction data were afterwards used to experimentally determine the twin fractions. The importance of twinning for the texture evolution was also studied. It was shown that even small twin fractions can lead to distinct texture features, especially due to the discrete reorientation of the c-axes. The experimental results were compared to simulated results that were obtained with a viscoplastic self-consistent crystal plasticity code, after experimental validation that twinning can be reliably modelled as a unidirectional slip system. Although good agreement was obtained for the experimental and simulated stress-strain curves, the simulated results concerning twinning correlated well only on a qualitative basis as the simulated twin fractions were systematically higher than the experimental fractions. This seems to strengthen the hypothesis made by other research groups that complete grains might reorient by twinning. (C) 2011 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000301473300001 Publication Date 2011-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 35 Open Access
Notes Approved Most recent IF: 3.094; 2012 IF: 2.108
Call Number UA @ lucian @ c:irua:97818 Serial 1565
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Author Witters, N.; Mendelsohn, R.; Van Passel, S.; Van Slycken, S.; Weyens, N.; Schreurs, E.; Meers, E.; Tack, F.; Vanheusden, B.; Vangronsveld, J.
Title Phytoremediation, a sustainable remediation technology? 2 : economic assessment of CO2 abatement through the use of phytoremediation crops for renewable energy production Type A1 Journal article
Year (down) 2012 Publication Biomass & Bioenergy Abbreviated Journal Biomass Bioenerg
Volume 39 Issue Pages 470-477
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract Phytoremediation could be a sustainable remediation alternative for conventional remediation technologies. However, its implementation on a commercial scale remains disappointing. To emphasize its sustainability, this paper examines whether and how the potential economic benefit of CO2 abatement for different crops used for phytoremediation or sustainable land management purposes could promote phytotechnologies. Our analysis is based on a case study in the Campine region, where agricultural soils are contaminated with mainly cadmium. We use Life Cycle Analysis to show for the most relevant crops (willow (Salix spp), energy maize (Zea mays), and rapeseed (Brassica napus)), that phytoremediation, used for renewable energy production, could abate CO2. Converting this in economic numbers through the Marginal Abatement Cost of CO2 ( 20 ton−1) we can integrate this in the economic analysis to compare phytoremediation crops among each other, and phytoremediation with conventional technologies. The external benefit of CO2 abatement when using phytoremediation crops for land management ranges between 55 and 501 per hectare. The purpose of these calculations is not to calculate a subsidy for phytoremediation. There is no reason why one would prefer phytoremediation crops for renewable energy production over normal biomass. Moreover, subsidies for renewable energy already exist. Therefore, we should not integrate these numbers in the economic analysis again. However, these numbers could contribute to making explicit the competitive advantage of phytoremediation compared to conventional remediation technologies, but also add to a more sustainably funded decision on which crop should be grown on contaminated land.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000302829900054 Publication Date 2011-12-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0961-9534 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.219 Times cited 38 Open Access
Notes ; ; Approved Most recent IF: 3.219; 2012 IF: 2.975
Call Number UA @ admin @ c:irua:129863 Serial 6236
Permanent link to this record