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Author de Backer, A.; Martinez, G.T.; Rosenauer, A.; Van Aert, S.
Title (up) Atom counting in HAADF STEM using a statistical model-based approach : methodology, possibilities, and inherent limitations Type A1 Journal article
Year 2013 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 134 Issue Pages 23-33
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In the present paper, a statistical model-based method to count the number of atoms of monotype crystalline nanostructures from high resolution high-angle annular dark-field (HAADF) scanning transmission electron microscopy (STEM) images is discussed in detail together with a thorough study on the possibilities and inherent limitations. In order to count the number of atoms, it is assumed that the total scattered intensity scales with the number of atoms per atom column. These intensities are quantitatively determined using model-based statistical parameter estimation theory. The distribution describing the probability that intensity values are generated by atomic columns containing a specific number of atoms is inferred on the basis of the experimental scattered intensities. Finally, the number of atoms per atom column is quantified using this estimated probability distribution. The number of atom columns available in the observed STEM image, the number of components in the estimated probability distribution, the width of the components of the probability distribution, and the typical shape of a criterion to assess the number of components in the probability distribution directly affect the accuracy and precision with which the number of atoms in a particular atom column can be estimated. It is shown that single atom sensitivity is feasible taking the latter aspects into consideration.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000324474900005 Publication Date 2013-05-17
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 48 Open Access
Notes FWO; Esteem2; FP 2007-2013; esteem2_jra2 Approved Most recent IF: 2.843; 2013 IF: 2.745
Call Number UA @ lucian @ c:irua:109916 Serial 162
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Author Phung, Q.M.; Vancoillie, S.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A.
Title (up) Atomic layer deposition of ruthenium on a titanium nitride surface : a density functional theory study Type A1 Journal article
Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 117 Issue 38 Pages 19442-19453
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Because of its excellent properties in nanotechnology applications, atomic layer deposition of ruthenium (Ru) has been the subject of numerous experimental studies. Recently, two different Ru precursors were compared for plasma-enhanced atomic layer deposition (PEALD) of Ru, and their reactivity was found to be different. Inhibition was observed for bis(ethylcyclopentadienyl)ruthenium (Ru(EtCp)(2)), while nearly linear growth behavior was observed for (methylcyclopentadienyl-pyrrolyl)ruthenium (Ru(MeCp)Py). To understand this difference in reactivity, we investigate the adsorption of RuCp, and RuCpPy (i.e., without substituents) on a TiN surface using calculations based on periodic boundary conditions density functional theory (DFT) combined with experiments based on Rutherford backscattering spectroscopy (RBS). The calculations demonstrate that the RuCpPy precursor chemisorbs on the TiN(100) surface while the RuCp2 precursor only physisorbs. We propose a reaction mechanism for the chemisorption of RuCpPy. The area density of the calculated RuCpPy surface species is compared with the experimental values from RBS. The impact of a H-plasma is also investigated. The DFT calculations and experimental results from RBS provide insight into the adsorption processes of the RuCpPy and RuCp2 precursors on the TiN(100) surface.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000330162500022 Publication Date 2013-08-28
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 6 Open Access
Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number UA @ lucian @ c:irua:114855 Serial 170
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Author Egoavil, R.; Tan, H.; Verbeeck, J.; Bals, S.; Smith, B.; Kuiper, B.; Rijnders, G.; Koster, G.; Van Tendeloo, G.
Title (up) Atomic scale investigation of a PbTiO3/SrRuO3/DyScO3 heterostructure Type A1 Journal article
Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 102 Issue 22 Pages 223106-5
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract An epitaxial PbTiO3 thin film grown on self-organized crystalline SrRuO3 nanowires deposited on a DyScO3 substrate with ordered DyO and ScO2 chemical terminations is investigated by transmission electron microscopy. In this PbTiO3/SrRuO3/DyScO3 heterostructure, the SrRuO3 nanowires are assumed to grow on only one type of substrate termination. Here, we report on the structure, morphology, and chemical composition analysis of this heterostructure. Electron energy loss spectroscopy reveals the exact termination sequence in this complex structure. The energy loss near-edge structure of the Ti-L-2,L-3, Sc-L-2,L-3, and O K edges shows intrinsic interfacial electronic reconstruction. Furthermore, PbTiO3 domain walls are observed to start at the end of the nanowires resulting in atomic steps on the film surface. (C) 2013 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000320621600070 Publication Date 2013-06-05
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 12 Open Access
Notes Ifox; Esteem2; Countatoms; Vortex; esteem2jra3 ECASJO; Approved Most recent IF: 3.411; 2013 IF: 3.515
Call Number UA @ lucian @ c:irua:109606UA @ admin @ c:irua:109606 Serial 185
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Author Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C.
Title (up) Atomic spectroscopy Type A1 Journal article
Year 2013 Publication Analytical chemistry Abbreviated Journal Anal Chem
Volume 85 Issue 2 Pages 670-704
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000313668400013 Publication Date 2012-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 29 Open Access
Notes Approved Most recent IF: 6.32; 2013 IF: 5.825
Call Number UA @ lucian @ c:irua:104719 Serial 190
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Author Elliott, J.A.; Shibuta, Y.; Amara, H.; Bichara, C.; Neyts, E.C.
Title (up) Atomistic modelling of CVD synthesis of carbon nanotubes and graphene Type A1 Journal article
Year 2013 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 5 Issue 15 Pages 6662-6676
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We discuss the synthesis of carbon nanotubes (CNTs) and graphene by catalytic chemical vapour deposition (CCVD) and plasma-enhanced CVD (PECVD), summarising the state-of-the-art understanding of mechanisms controlling their growth rate, chiral angle, number of layers (walls), diameter, length and quality (defects), before presenting a new model for 2D nucleation of a graphene sheet from amorphous carbon on a nickel surface. Although many groups have modelled this process using a variety of techniques, we ask whether there are any complementary ideas emerging from the different proposed growth mechanisms, and whether different modelling techniques can give the same answers for a given mechanism. Subsequently, by comparing the results of tight-binding, semi-empirical molecular orbital theory and reactive bond order force field calculations, we demonstrate that graphene on crystalline Ni(111) is thermodynamically stable with respect to the corresponding amorphous metal and carbon structures. Finally, we show in principle how a complementary heterogeneous nucleation step may play a key role in the transformation from amorphous carbon to graphene on the metal surface. We conclude that achieving the conditions under which this complementary crystallisation process can occur may be a promising method to gain better control over the growth processes of both graphene from flat metal surfaces and CNTs from catalyst nanoparticles.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000321675600003 Publication Date 2013-06-06
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 52 Open Access
Notes Approved Most recent IF: 7.367; 2013 IF: 6.739
Call Number UA @ lucian @ c:irua:109231 Serial 200
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Author H. Zhang, N. Gauquelin, G.A. Botton and J.Y.T. Wei
Title (up) Attenuation of superconductivity in manganite/cuprate heterostructures by epitaxially induced CuO intergrowths Type A1 Journal Article
Year 2013 Publication Applied Physics Letters Abbreviated Journal
Volume 103 Issue Pages 052606
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract We examine the effect of CuO intergrowths on the superconductivity in epitaxial

La 2/3 Ca 1/3 MnO 3 / YBa 2 Cu 3 O 7−δ La2/3Ca1/3MnO3/YBa2Cu3O7−δ

(LCMO/YBCO) thin-film heterostructures. Scanning transmission electron microscopy on bilayer LCMO/YBCO thin films revealed double CuO-chain intergrowths which form regions with the 247 lattice structure in the YBCO layer. These nanoscale 247 regions do not appear in x-ray diffraction, but can physically account for the reduced critical temperature (Tc) of bilayer thin films relative to unilayer films with the same YBCO thickness, at least down to ∼25 nm. We attribute the CuO intergrowths to the bilayer heteroepitaxial mismatch and the Tc reduction to the generally lower Tc seen in bulk 247 samples. These epitaxially-induced CuO intergrowths provide a microstructural mechanism for the attenuation of superconductivity in LCMO/YBCO heterostructures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000322723000063 Publication Date 2013-08-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links
Impact Factor Times cited 12 Open Access
Notes Approved Most recent IF: NA
Call Number EMAT @ emat @ Serial 4546
Permanent link to this record
 
 
Author Gómez-Graña, S.; Goris, B.; Altantzis, T.; Fernández-López, C.; Carbó-Argibay, E.; Guerrero-Martínez, A.; Almora-Barrios, N.; López, N.; Pastoriza-Santos, I.; Pérez-Juste, J.; Bals, S.; Van Tendeloo, G.; Liz-Marzán, L.M.;
Title (up) Au@Ag nanoparticles : halides stabilize {100} facets Type A1 Journal article
Year 2013 Publication The journal of physical chemistry letters Abbreviated Journal J Phys Chem Lett
Volume 4 Issue 13 Pages 2209-2216
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Seed-mediated growth is the most efficient methodology to control the size and shape of colloidal metal nanoparticles. In this process, the final nanocrystal shape is defined by the crystalline structure of the initial seed as well as by the presence of ligands and other additives that help to stabilize certain crystallographic facets. We analyze here the growth mechanism in aqueous solution of silver shells on presynthesized gold nanoparticles displaying various well-defined crystalline structures and morphologies. A thorough three-dimensional electron microscopy characterization of the morphology and internal structure of the resulting core-shell nanocrystals indicates that {100} facets are preferred for the outer silver shell, regardless of the morphology and crystallinity of the gold cores. These results are in agreement with theoretical analysis based on the relative surface energies of the exposed facets in the presence of halide ions.
Address
Corporate Author Thesis
Publisher American Chemical Society Place of Publication Washington, D.C Editor
Language Wos 000321809500018 Publication Date 2013-06-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1948-7185; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.353 Times cited 131 Open Access
Notes 267867 Plasmaquo; 246791 COUNTATOMS; 262348 ESMI; FWO Approved Most recent IF: 9.353; 2013 IF: 6.687
Call Number UA @ lucian @ c:irua:109811 Serial 204
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Author Schouteden, K.; Zeng, Y.-J.; Lauwaet, K.; Romero, C.P.; Goris, B.; Bals, S.; Van Tendeloo, G.; Lievens, P.; Van Haesendonck, C.
Title (up) Band structure quantization in nanometer sized ZnO clusters Type A1 Journal article
Year 2013 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 5 Issue 9 Pages 3757-3763
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Nanometer sized ZnO clusters are produced in the gas phase and subsequently deposited on clean Au(111) surfaces under ultra-high vacuum conditions. The zinc blende atomic structure of the approximately spherical ZnO clusters is resolved by high resolution scanning transmission electron microscopy. The large band gap and weak n-type conductivity of individual clusters are determined by scanning tunnelling microscopy and spectroscopy at cryogenic temperatures. The conduction band is found to exhibit clear quantization into discrete energy levels, which can be related to finite-size effects reflecting the zero-dimensional confinement. Our findings illustrate that gas phase cluster production may provide unique possibilities for the controlled fabrication of high purity quantum dots and heterostructures that can be size selected prior to deposition on the desired substrate under controlled ultra-high vacuum conditions.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000317859400026 Publication Date 2013-03-05
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 13 Open Access
Notes FWO; Hercules; COUNTATOMS Approved Most recent IF: 7.367; 2013 IF: 6.739
Call Number UA @ lucian @ c:irua:108518 Serial 219
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Author de Baerdemaeker, T.; Lemmens, B.; Dotremont, C.; Fret, J.; Roef, L.; Goiris, K.; Diels, L.
Title (up) Benchmark study on algae harvesting with backwashable submerged flat panel membranes Type A1 Journal article
Year 2013 Publication Bioresource technology Abbreviated Journal
Volume 129 Issue Pages 582-591
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The feasibility of algae harvesting with submerged flat panel membranes was investigated as pre-concentration step prior to centrifugation. Polishing of the supernatant coming from the centrifuge was evaluated as well. The effect of membrane polymer (polyvinyl chloride [PVC], polyethersulfone polyvinyl-pyrollidone [PES-PVP], poly vinylidene fluoride [PVDF]), pore size (microfiltration [MF], ultrafiltration [UF]), algae cell concentrations and species were investigated at lab-scale. In addition, backwashing as fouling control was compared to standard relaxation. PVDF was the superior polymer, and UF showed better fouling resistance. Backwashing outperformed relaxation in fouling control. The backwashable membranes allowed up to 300% higher fluxes compared to commercial flat panel benchmark (PVC) membranes. Estimations on energy consumption for membrane filtration followed by centrifugation revealed relatively low values of 0.169 kW h/kg of dry weight of algae compared to 0.5 kW h/kg for algae harvesting via classical centrifuge alone. (C) 2012 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000324566000079 Publication Date 2012-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0960-8524 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:111203 Serial 7554
Permanent link to this record
 
 
Author Milovanovic, S.P.; Masir, M.R.; Peeters, F.M.
Title (up) Bilayer graphene Hall bar with a pn-junction Type A1 Journal article
Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 114 Issue 11 Pages 113706
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the magnetic field dependence of the Hall and the bend resistances for a ballistic Hall bar structure containing a pn-junction sculptured from a bilayer of graphene. The electric response is obtained using the billiard model, and we investigate the cases of bilayer graphene with and without a band gap. Two different conduction regimes are possible: (i) both sides of the junction have the same carrier type and (ii) one side of the junction is n-type while the other one is p-type. The first case shows Hall plateau-like features in the Hall resistance that fade away as the band gap opens. The second case exhibits a bend resistance that is asymmetric in magnetic field as a consequence of snake states along the pn-interface, where the maximum is shifted away from zero magnetic field.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000324827200031 Publication Date 2013-09-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 3 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government. Approved Most recent IF: 2.068; 2013 IF: 2.185
Call Number UA @ lucian @ c:irua:111169 Serial 234
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Author Compernolle, T.; Van Passel, S.; Lebbe, L.
Title (up) Bioremediation : how to deal with removal efficiency uncertainty? An economic application Type A1 Journal article
Year 2013 Publication Journal Of Environmental Management Abbreviated Journal J Environ Manage
Volume 127 Issue Pages 77-85
Keywords A1 Journal article; Economics
Abstract Bioremediation is a remediation strategy, which has considerable strength but also certain limitations. Complex and uncertain relationships among biomass, contaminants, and nutrients lead to an uncertain level of removal efficiency. The uncertainty inherent to a bioremediation strategy should be addressed in the remediation selection process. In order to evaluate the bioremediation strategy economically, this study takes into account the reversibility of a decision. A decision tree structures the different remediation strategies, thus giving the possible courses of action open to the decision maker. The option value indicates the importance of having the possibility to reverse a previously made decision. Compared with conventional economic evaluation tools, more information to ground the selection made is revealed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000322940100010 Publication Date 2013-05-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0301-4797 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.01 Times cited 1 Open Access
Notes ; ; Approved Most recent IF: 4.01; 2013 IF: 3.188
Call Number UA @ admin @ c:irua:129868 Serial 6162
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Author Van Eynde, E.; Tytgat, T.; Smits, M.; Verbruggen, S.W.; Hauchecorne, B.; Lenaerts, S.
Title (up) Biotemplated diatom silica-titania materials for air purification Type A1 Journal article
Year 2013 Publication Photochemical & photobiological sciences Abbreviated Journal Photoch Photobio Sci
Volume 12 Issue 4 Pages 690-695
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract We present a novel manufacture route for silicatitania photocatalysts using the diatom microalga Pinnularia sp. Diatoms self-assemble into porous silica cell walls, called frustules, with periodic micro-, meso- and macroscale features. This unique hierarchical porous structure of the diatom frustule is used as a biotemplate to incorporate titania by a solgel methodology. Important material characteristics of the modified diatom frustules under study are morphology, crystallinity, surface area, pore size and optical properties. The produced biosilicatitania material is evaluated towards photocatalytic activity for NOx abatement under UV radiation. This research is the first step to obtain sustainable, well-immobilised silicatitania photocatalysts using diatoms.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000316572500016 Publication Date 2012-10-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1474-905x; 1474-9092 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.344 Times cited 18 Open Access
Notes ; ; Approved Most recent IF: 2.344; 2013 IF: 2.939
Call Number UA @ admin @ c:irua:106625 Serial 5930
Permanent link to this record
 
 
Author Neek-Amal, M.; Beheshtian, J.; Sadeghi, A.; Michel, K.H.; Peeters, F.M.
Title (up) Boron nitride mono layer : a strain-tunable nanosensor Type A1 Journal article
Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 117 Issue 25 Pages 13261-13267
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied strain. The proposed technique for localizing the molecular orbitals that are close to the Fermi level in the center of boron nitride flakes can be used to actualize engineered nanosensors, for instance, to selectively detect gas molecules. We show that the central part of the strained flake adsorbs polar molecules more strongly as compared with an unstrained sheet.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000321236400041 Publication Date 2013-06-03
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 38 Open Access
Notes ; This work was supported by the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Funding of the Flemish government. AS. would like to thank the Universiteit Antwerpen for its hospitality. ; Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number UA @ lucian @ c:irua:109829 Serial 249
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Author de Sousa, A.A.; Chaves, A.; Farias, G.A.; Peeters, F.M.
Title (up) Braess paradox at the mesoscopic scale Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 24 Pages 245417-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We theoretically demonstrate that the transport inefficiency recently found experimentally for branched-out mesoscopic networks can also be observed in a quantum ring of finite width with an attached central horizontal branch. This is done by investigating the time evolution of an electron wave packet in such a system. Our numerical results show that the conductivity of the ring does not necessary improve if one adds an extra channel. This ensures that there exists a quantum analog of the Braess paradox, originating from quantum scattering and interference.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000328680500011 Publication Date 2013-12-17
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 17 Open Access
Notes ; This work was financially supported by PRONEX/CNPq/FUNCAP and the bilateral project CNPq-FWO. Discussions with J. S. Andrade, Jr. are gratefully acknowledged. A. A. S. has been financially supported by CAPES, under PDSE Contract No. BEX 7177/13-5. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:113705 Serial 253
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Author Gielis, J.; Caratelli, D.; Tavkelidze, I.; Fougerolle, Y.; Ricci, P.E.; Gerats, T.
Title (up) Bulky knots and links generated by cutting generalized Mobius-Listing bodies and applications in the natural sciences Type H2 Book chapter
Year 2013 Publication Abbreviated Journal
Volume Issue Pages 167-183 T2 - Math Art Summit : Koninklijke Vlaamse
Keywords H2 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-90-6569-119-4 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:110955 Serial 7569
Permanent link to this record
 
 
Author da Pieve, F.; Hogan, C.; Lamoen, D.; Verbeeck, J.; Vanmeert, F.; Radepont, M.; Cotte, M.; Janssens, K.; Gonze, X.; Van Tendeloo, G.
Title (up) Casting light on the darkening of colors in historical paintings Type A1 Journal article
Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 111 Issue 20 Pages 208302-208305
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The degradation of colors in historical paintings affects our cultural heritage in both museums and archeological sites. Despite intensive experimental studies, the origin of darkening of one of the most ancient pigments known to humankind, vermilion (α-HgS), remains unexplained. Here, by combining many-body theoretical spectroscopy and high-resolution microscopic x-ray diffraction, we clarify the composition of the damaged paint work and demonstrate possible physicochemical processes, induced by illumination and exposure to humidity and air, that cause photoactivation of the original pigment and the degradation of the secondary minerals. The results suggest a new path for the darkening process which was never considered by previous studies and prompt a critical examination of their findings.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000327244500003 Publication Date 2013-11-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 30 Open Access
Notes Vortex; ERC FP7; COUNTATOMS; ECASJO_; Approved Most recent IF: 8.462; 2013 IF: 7.728
Call Number UA @ lucian @ c:irua:111396UA @ admin @ c:irua:111396 Serial 287
Permanent link to this record
 
 
Author Celebi, S.; Sezgin, M.E.; Çakir, D.; Baytan, B.; Demirkaya, M.; Sevinir, B.; Bozdemir, S.E.; Gunes, A.M.; Hacimustafaoglu, M.
Title (up) Catheter-associated bloodstream infections in pediatric hematology-oncology patients Type A1 Journal article
Year 2013 Publication Pediatric Hematology And Oncology Abbreviated Journal Pediatr Hemat Oncol
Volume 30 Issue 3 Pages 187-194
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Catheter-associated bloodstream infections (CABSIs) are common complications encountered with cancer treatment. The aims of this study were to analyze the factors associated with recurrent infection and catheter removal in pediatric hematology-oncology patients. All cases of CABSIs in patients attending the Department of Pediatric Hematology-Oncology between January 2008 and December 2010 were reviewed. A total of 44 episodes of CABSIs, including multiple episodes involving the same catheter, were identified in 31 children with cancer. The overall CABSIs rate was 7.4 infections per 1000 central venous catheter (CVC) days. The most frequent organism isolated was coagulase-negative Staphylococcus (CONS). The CVC was removed in nine (20.4%) episodes. We found that hypotension, persistent bacteremia, Candida infection, exit-side infection, neutropenia, and prolonged duration of neutropenia were the factors for catheter removal. There were 23 (52.2%) episodes of recurrence or reinfection. Mortality rate was found to be 9.6% in children with CABSIs. In this study, we found that CABSIs rate was 7.4 infections per 1000 catheter-days. CABSIs rates in our hematology-oncology patients are comparable to prior reports. Because CONS is the most common isolated microorganism in CABSIs, vancomycin can be considered part of the initial empirical regimen.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos Publication Date 2013-04-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0888-0018 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.12 Times cited Open Access
Notes Approved Most recent IF: 1.12; 2013 IF: 0.963
Call Number UA @ lucian @ c:irua:128324 Serial 4589
Permanent link to this record
 
 
Author Kirsanova, M.A.; Mori, T.; Maruyama, S.; Abakumov, A.M.; Van Tendeloo, G.; Olenev, A.; Shevelkov, A.V.
Title (up) Cationic clathrate of type-III Ge172-xPxTey (y\approx21,5, x\approx2y) : synthesis, crystal structure and thermoelectric properties Type A1 Journal article
Year 2013 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 52 Issue 14 Pages 8272-8279
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A first germanium-based cationic clathrate of type-III, Ge129.3P42.7Te21.53, was synthesized and structurally characterized (space group P42/mnm, a = 19.948(3) Å, c = 10.440(2) Å, Z = 1). In its crystal structure, germanium and phosphorus atoms form three types of polyhedral cages centered with Te atoms. The polyhedra share pentagonal and hexagonal faces to form a 3D framework. Despite the complexity of the crystal structure, the Ge129.3P42.7Te21.53 composition corresponds to the Zintl counting scheme with a good accuracy. Ge129.3P42.7Te21.53 demonstrates semiconducting/insulating behavior of electric resistivity, high positive Seebeck coefficient (500 μV K1 at 300 K), and low thermal conductivity (<0.92 W m1 K1) within the measured temperature range.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000322087100052 Publication Date 2013-06-26
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 3 Open Access
Notes Countatoms Approved Most recent IF: 4.857; 2013 IF: 4.794
Call Number UA @ lucian @ c:irua:109214 Serial 301
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Author Zhao, C.X.; Xu, W.; Peeters, F.M.
Title (up) Cerenkov emission of terahertz acoustic-phonons from graphene Type A1 Journal article
Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 102 Issue 22 Pages 222101-222104
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present a theoretical study of the electrical generation of acoustic-phonon emission from graphene at room temperature. The drift velocity (v(x)) and temperature of electrons driven by dc electric field (F-x) are determined by solving self-consistently the momentum-and energy-balance equations derived from the Boltzmann equation. We find that in the presence of impurity, acoustic-and optic-phonon scattering, v(x) can be much larger than the longitudinal (v(l)) and transverse (v(t)) sound velocities in graphene even within the linear response regime. As a result, although the acoustic Cerenkov effect cannot be obviously seen in the analytical formulas, the enhanced acoustic-phonon emission can be observed with increasing F-x when v(x) > v(l) and v > v(t). The frequency of acoustic-phonon emission from graphene can be above 10 THz, which is much higher than that generated from conventional semiconductor systems. This study is pertinent to the application of graphene as hypersonic devices such as terahertz sound sources. (C) 2013 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000320621600034 Publication Date 2013-06-03
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 25 Open Access
Notes ; This work was supported by the National Natural Science Foundation of China (Grant No. 10974206), Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; Approved Most recent IF: 3.411; 2013 IF: 3.515
Call Number UA @ lucian @ c:irua:109607 Serial 305
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Author Baken, S.; Sjostedt, C.; Gustafsson, J.P.; Seuntjens, P.; Desmet, N.; De Schutter, J.; Smolders, E.
Title (up) Characterisation of hydrous ferric oxides derived from iron-rich groundwaters and their contribution to the suspended sediment of streams Type A1 Journal article
Year 2013 Publication Applied geochemistry Abbreviated Journal
Volume 39 Issue Pages 59-68
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract When Fe(II) bearing groundwaters surface in streams, particulate authigenic Fe-rich material is produced by oxidation. Such freshly precipitated Fe minerals may be transported as suspended sediment and have a profound impact on the fate of trace metals and nutrients in rivers. The objective of this study was to monitor changes in mineralogy and composition of authigenic material from its source to streams of increasing order. Groundwaters, surface waters, and suspended sediment in streams of different order were sampled in the Kleine Nete catchment (Belgium), a lowland with Fe-rich groundwaters (3.5-53.8 mg Fe/L; pH 6.3-6.9). Fresh authigenic material (>0.45 mu m) was produced by oxidising filtered (<0.45 mu m) groundwater and surface water. This material contained, on average, 44% Fe, and smaller concentrations of C, P, and Ca. Iron EXAFS (Extended X-ray Absorption Fine Structure) spectroscopy showed that the Fe was present as poorly crystalline hydrous ferric oxides with a structure similar to that of ferrihydrite. The Fe concentration in the suspended sediment samples decreased to 36-40% (stream order 2), and further to 18-26% (stream order 4 and 5). Conversely, the concentrations of organic C, Ca, Si, and trace metals increased with increasing stream order, suggesting mixing of authigenic material with suspended sediment from a different source. The Fe speciation in the suspended sediment was similar to that in fresh authigenic material, but more Fe-Fe interactions were observed, i.e. it was increasingly hydrolysed, suggesting ageing reactions. The suspended sediment in the streams of order 4 and 5 is estimated to contain between 31% and 59% of authigenic material, but more data are needed to refine this estimate. The authigenic material is an important sink for P in these streams which may alleviate the eutrophication risk in this catchment. (C) 2013 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000327488700007 Publication Date 2013-10-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0883-2927 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:112769 Serial 7595
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Author Komendová, L.
Title (up) Characteristic length scales and vortex interactions in two-component superconducting systems Type Doctoral thesis
Year 2013 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:112085 Serial 312
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Author Satyawali, Y.; Van Roy, S.; Roevens, A.; Meynen, V.; Mullens, S.; Jochems, P.; Doyen, W.; Cauwenberghs, L.; Dejonghe, W.
Title (up) Characterization and analysis of the adsorption immobilization mechanism of \beta-galactosidase on metal oxide powders Type A1 Journal article
Year 2013 Publication RSC advances Abbreviated Journal
Volume 3 Issue 46 Pages 24054-24062
Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL)
Abstract Immobilization of the enzymes plays a vital role in enhancing their applicability in a wide range of applications, thus ensuring the use of sustainable enzymatic processes over the conventional chemical processes on an industrial scale. This study provides the background information for the selection and screening of inorganic metal oxide (MO) powders for their use as fillers in mixed matrix membranes for enzyme immobilization as the future aim. A total of 13 MOs, ranging in size from 0.01 μm to <5 μm, were tested for their performance as a support for enzyme (β-galactosidase) immobilization via adsorption. Alumina appeared to be the best performing MO with the amount and activity of the immobilized enzyme being 64 mg g−1 and up to 288 U g−1, respectively. The amount of immobilized enzyme on alumina (α-Al2O3 C and γ-Al2O3) was >3 times higher than ZrO2 (used as a reference MO in this study). Upon heat treatment at 900 °C, up to 15%, 52% and 42% decline was observed in the amount of immobilized enzyme in case of alumina metal oxides (MOs), ZrO2 and TiO2, respectively. The results suggested that both isoelectric point and surface area of the MO influence the immobilization. The most important observation in this study was that the bonding of the enzyme to the MO surface seems to be mediated by the bonding/interaction of the buffer to the enzyme.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000326745100030 Publication Date 2013-10-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069 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:111300 Serial 7607
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Author Palacios, O.M.; van Meel, K.; Van Grieken, R.; Marcó P., L.-M.; Vázquez, C.
Title (up) Characterization of black volcanites from the Limay river basin, Patagonia, Argentina, using energy dispersive X-ray fluorescence spectrometry : an aid to infer human group mobility Type A1 Journal article
Year 2013 Publication Journal of radioanalytical and nuclear chemistry Abbreviated Journal
Volume 298 Issue 2 Pages 1245-1255
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The investigation of hunter-gatherers archaeological sites in the Limay river basin, Patagonia, Argentina, raised questions concerning the lithic technology. The chemical characterization of artifacts, rocks and possible sources of provenances could help to elucidate the hunter-gatherer mobility. In three archaeological sitesRincón Chico 2 (RCh2/87; 14C 710 ± 60 BP), Cueva Traful I (CTI; 14C 9430 ± 230 BP) and Casa de Piedra de Ortega (CPO; 14C 2840 ± 80 BP), tools and debitage or discarded flakes made in black volcanic rock have been found. Nearby an extensive rock outcrop of black volcanite, Paso Limay quarry (CPL), with similar characteristics was located. Samples coming from these four sites were analyzed by energy dispersive X-ray fluorescence spectrometry. This characterization allowed the geochemical classification of the lithic material and to correlate the samples with the suspected source after a previous statistical analysis. The majority of the samples were classified as dacites and rhyolites. Only samples coming from CPO site, the closest place to CPL were made exclusively with the quarry rocks. A set of five samples from RCh2/87 and two samples from CTI appear to have same chemical composition as CPL in spite of this site is placed in the opposite bank of the Limay river suggesting that hunter-gatherers could accede to the quarry, eventually. Finally, only a set of five samples coming from RCh2/87 and CTI do not group with the quarry. This fact evidences the existence of secondary sources of supply. The information of this research allowed inferring ancient human mobility patterns in the region.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000325624300061 Publication Date 2013-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0236-5731; 1588-2780 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:109743 Serial 7619
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Author Borgatti, F.; Park, C.; Herpers, A.; Offi, F.; Egoavil, R.; Yamashita, Y.; Yang, A.; Kobata, M.; Kobayashi, K.; Verbeeck, J.; Panaccione, G.; Dittmann, R.;
Title (up) Chemical insight into electroforming of resistive switching manganite heterostructures Type A1 Journal article
Year 2013 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 5 Issue 9 Pages 3954-3960
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract We have investigated the role of the electroforming process in the establishment of resistive switching behaviour for Pt/Ti/Pr0.5Ca0.5MnO3/SrRuO3 layered heterostructures (Pt/Ti/PCMO/SRO) acting as non-volatile Resistance Random Access Memories (RRAMs). Electron spectroscopy measurements demonstrate that the higher resistance state resulting from electroforming of as-prepared devices is strictly correlated with the oxidation of the top electrode Ti layer through field-induced electromigration of oxygen ions. Conversely, PCMO exhibits oxygen depletion and downward change of the chemical potential for both resistive states. Impedance spectroscopy analysis, supported by the detailed knowledge of these effects, provides an accurate model description of the device resistive behaviour. The main contributions to the change of resistance from the as-prepared (low resistance) to the electroformed (high resistance) states are respectively due to reduced PCMO at the boundary with the Ti electrode and to the formation of an anisotropic np junction between the Ti and the PCMO layers.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000317859400051 Publication Date 2013-03-05
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 40 Open Access
Notes Vortex; Countatoms ECASJO_; Approved Most recent IF: 7.367; 2013 IF: 6.739
Call Number UA @ lucian @ c:irua:108710UA @ admin @ c:irua:108710 Serial 348
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Author Liu, Y.; Brelet, Y.; He, Z.; Yu, L.; Mitryukovskiy, S.; Houard, A.; Forestier, B.; Couairon, A.; Mysyrowicz, A.
Title (up) Ciliary white light : optical aspect of ultrashort laser ablation on transparent dielectrics Type A1 Journal article
Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 110 Issue 9 Pages 097601-97605
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report on a novel nonlinear optical phenomenon, coined as ciliary white light, during laser ablation of transparent dielectrics. It is observed in 14 different transparent materials including glasses, crystals, and polymers. This phenomenon is also universal with respect to laser polarization, pulse duration, and focusing geometry. We interpret its formation in terms of the nonlinear diffraction of the laser generated white light by the ablation crater covered by nanostructures. It carries rich information on the damage profile and morphology dynamics of the ablated surface, providing a real time in situ observation of the laser ablation process. DOI: 10.1103/PhysRevLett.110.097601
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000317186000007 Publication Date 2013-03-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 10 Open Access
Notes Approved Most recent IF: 8.462; 2013 IF: 7.728
Call Number UA @ lucian @ c:irua:108509 Serial 360
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Author Liu, Y.; Brelet, Y.; He, Z.; Yu, L.; Mitryukovskiy, S.; Houard, A.; Forestier, B.; Couairon, A.; Mysyrowicz, A.
Title (up) Ciliary white light generated during femtosecond laser ablation on transparent dielectrics Type P1 Proceeding
Year 2013 Publication 2013 Conference On And International Quantum Electronics Conference Lasers And Electro-optics Europe (cleo Europe/iqec) Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Ieee Place of Publication New york Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-4799-0594-2 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:134446 Serial 4494
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Author van Winsen, F.; de Mey, Y.; Lauwers, L.; Van Passel, S.; Vancauteren, M.; Wauters, E.
Title (up) Cognitive mapping : a method to elucidate and present farmers' risk perception Type A1 Journal article
Year 2013 Publication Agricultural Systems Abbreviated Journal Agr Syst
Volume 122 Issue Pages 42-52
Keywords A1 Journal article
Abstract Assumptions on the perceptions of risks, made in agricultural economics literature, are recognized to be over-simplistic. For example most studies assume that risks are independent and static, while in reality most risks are interlinked and dynamic. We propose an alternative method to identify and present risk perception, closer to the actual comprehension of risk by farmers. Grounded theory is used to investigate the perceptions of risk by farmers while avoiding prior assumptions. Main findings are: (i) farmers have difficulty to rank or score probability and impact of risks in a (semi)quantitative manner; (ii) farmers attach different meanings to risk, when the focus shifts between, uncertain event, probability or value at stake and; (iii) farmers perceive risks as being interrelated. Based on these findings, we propose that farmers' risk perception can be best understood as a network of interrelated notions of uncertain events, their effects and uncertain outcomes. Furthermore, cognitive mapping is suggested to elucidate and present these networks. We test cognitive mapping, exploring dairy farmers' risk perception, and demonstrate the appropriateness of this methodology for capturing the complexity and context of perceived risk. Advantages are: (i) the qualitative approach, (ii) the focus on interrelations and context, (iii) the applicability at farm level, (iv) the farmer-driven rather than researcher-driven perspective, and (v) the elucidation of the polyvalent use of the risk concept. Cognitive maps can be used as a communication tool, a risk management tool, and a tool to stimulate bi-directional learning amongst farmers, policy makers, researchers and extension agents. (C) 2013 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000326910500005 Publication Date 2013-09-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0308-521x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.571 Times cited 27 Open Access
Notes ; We would like to acknowledge the Agency for Innovation by Science and Technology of the Flemish Government (IWT) for funding this research. Furthermore we would like to thank the anonymous reviewers for their valuable input. ; Approved Most recent IF: 2.571; 2013 IF: 2.453
Call Number UA @ admin @ c:irua:112765 Serial 6168
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Author Neyts, E.C.; Bogaerts, A.
Title (up) Combining molecular dynamics with Monte Carlo simulations : implementations and applications Type A1 Journal article
Year 2013 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume 132 Issue 2 Pages 1320-12
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000318294700010 Publication Date 2012-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.89 Times cited 27 Open Access
Notes Approved Most recent IF: 1.89; 2013 IF: 2.143
Call Number UA @ lucian @ c:irua:104725 Serial 404
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Author Schattschneider, P.; Löffler, S.; Verbeeck, J.
Title (up) Comment on “Quantized orbital angular momentum transfer and magnetic dichroism in the interaction of electron vortices with matter” Type Editorial
Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 110 Issue 18 Pages 189501-189502
Keywords Editorial; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000319019300019 Publication Date 2013-05-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 8 Open Access
Notes Countatoms; Vortex; Esteem2; esteem2jra3 ECASJO; Approved Most recent IF: 8.462; 2013 IF: 7.728
Call Number UA @ lucian @ c:irua:109014UA @ admin @ c:irua:109014 Serial 410
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Author Khan, A.W.; Jan, F.; Saeed, A.; Zaka-ul-Islam, M.; Abrar, M.; Khattak, N.A.D.; Zakaullah, M.
Title (up) Comparative study of electron temperature and excitation temperature in a magnetic pole enhanced-inductively coupled argon plasma Type A1 Journal article
Year 2013 Publication Current applied physics Abbreviated Journal Curr Appl Phys
Volume 13 Issue 7 Pages 1241-1246
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Magnetic Pole Enhanced-Inductively Coupled Plasmas (MaPE-ICPs) in analogy to the conventional ICPs exhibit two modes of operation, depending on the power coupling mechanism, i.e., a low power mode with dominant capacitive coupling (E-mode) and a high power mode with dominant inductive coupling (H-mode). A comparative study of the electron temperature measured by a Langmuir probe (T-e(LP)) and the electron excitation temperature (T-exc(OES)) determined by Optical Emission Spectroscopy (OES) is reported in the two distinct modes of a MaPE-ICP operated in argon. The dependence of T-e(LP), T-exc(OES) and their ratio (T-e(LP)/T-exc(OES)) on applied power (5-50 W) and gas pressure (15-60 mTorr) is explored, and the validity of T-exc(OES) as an alternative diagnostic to T-e(LP) is tested in the two modes of MaPE-ICP. The OES based non-invasive measurement of the plasma parameters such as electron temperature is very useful for plasma processing applications in which probe measurements are limited. (C) 2013 Elsevier B. V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000322631400014 Publication Date 2013-04-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1567-1739; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.971 Times cited 13 Open Access
Notes Approved Most recent IF: 1.971; 2013 IF: 2.026
Call Number UA @ lucian @ c:irua:110718 Serial 421
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