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Author Lajevardipour, A.; Neek-Amal, M.; Peeters, F.M.
Title Thermomechanical properties of graphene : valence force field model approach Type A1 Journal article
Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 24 Issue 17 Pages 175303-175303,8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the valence force field model of Perebeinos and Tersoff (2009 Phys. Rev. B 79 241409(R)), different energy modes of suspended graphene subjected to tensile or compressive strain are studied. By carrying out Monte Carlo simulations it is found that: (i) only for small strains (vertical bar epsilon vertical bar (sic) 0.02) is the total energy symmetrical in the strain, while it behaves completely differently beyond this threshold; (ii) the important energy contributions in stretching experiments are stretching, angle bending, an out-of-plane term, and a term that provides repulsion against pi-pi misalignment; (iii) in compressing experiments the two latter terms increase rapidly, and beyond the buckling transition stretching and bending energies are found to be constant; (iv) from stretching-compressing simulations we calculated the Young's modulus at room temperature 350 +/- 3.15 N m(-1), which is in good agreement with experimental results (340 +/- 50 N m(-1)) and with ab initio results (322-353) N m(-1); (v) molar heat capacity is estimated to be 24.64 J mol(-1) K-1 which is comparable with the Dulong-Petit value, i. e. 24.94 J mol(-1) K-1, and is almost independent of the strain; (vi) nonlinear scaling properties are obtained from height-height correlations at finite temperature; (vii) the used valence force field model results in a temperature independent bending modulus for graphene, and (viii) the Gruneisen parameter is estimated to be 0.64.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000303499700012 Publication Date 2012-04-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 29 Open Access
Notes ; We acknowledge helpful comments by V Perebeinos, S Costamagna, A Fasolino and J H Los. This work was supported by the Flemish science foundation (FWO-Vl) and the Belgium Science Policy (IAP). ; Approved (up) Most recent IF: 2.649; 2012 IF: 2.355
Call Number UA @ lucian @ c:irua:99123 Serial 3639
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Author Croitoru, M.D.; Shanenko, A.A.; Kaun, C.C.; Peeters, F.M.
Title Ultra-small metallic grains : effect of statistical fluctuations of the chemical potential on superconducting correlations and vice versa Type A1 Journal article
Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 24 Issue 27 Pages 275701
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Superconducting correlations in an isolated metallic grain are governed by the interplay between two energy scales: the mean level spacing delta and the bulk pairing gap Delta(0), which are strongly influenced by the position of the chemical potential with respect to the closest single-electron level. In turn superconducting correlations affect the position of the chemical potential. Within the parity projected BCS model we investigate the probability distribution of the chemical potential in a superconducting grain with randomly distributed single-electron levels. Taking into account statistical fluctuations of the chemical potential due to the pairing interaction, we find that such fluctuations have a significant impact on the critical level spacing delta(c) at which the superconducting correlations cease: the critical ratio delta(c)/Delta(0) at which superconductivity disappears is found to be increased.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000305653100012 Publication Date 2012-06-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 9 Open Access
Notes ; This work was supported by the European Community under the Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF network INSTANS. MDC and AAS are grateful to A Vagov for stimulating discussions. ; Approved (up) Most recent IF: 2.649; 2012 IF: 2.355
Call Number UA @ lucian @ c:irua:100280 Serial 3793
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Author Petrovic, M.D.; Peeters, F.M.; Chaves, A.; Farias, G.A.
Title Conductance maps of quantum rings due to a local potential perturbation Type A1 Journal article
Year 2013 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 25 Issue 49 Pages 495301-495309
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We performed a numerical simulation of the dynamics of a Gaussian shaped wavepacket inside a small sized quantum ring, smoothly connected to two leads and exposed to a perturbing potential of a biased atomic force microscope tip. Using the Landauer formalism, we calculated conductance maps of this system in the case of single and two subband transport. We explain the main features in the conductance maps as due to the AFM tip influence on the wavepacket phase and amplitude. In the presence of an external magnetic field, the tip modifies the phi(0) periodic Aharonov-Bohm oscillation pattern into a phi(0)/2 periodic Al'tshuler-Aronov-Spivak oscillation pattern. Our results in the case of multiband transport suggest tip selectivity to higher subbands, making them more observable in the total
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000327181400002 Publication Date 2013-11-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 12 Open Access
Notes ; This work was supported by the Methusalem programme of the Flemish government, the CNPq-FWO bilateral programme and PNPD and FUNCAP/PRONEX grants. ; Approved (up) Most recent IF: 2.649; 2013 IF: 2.223
Call Number UA @ lucian @ c:irua:112694 Serial 478
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Author Dabaghmanesh, S.; Saniz, R.; Amini, M.N.; Lamoen, D.; Partoens, B.
Title Perovskite transparent conducting oxides : an ab initio study Type A1 Journal article
Year 2013 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 25 Issue 41 Pages 415503
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We present an ab initio study of the electronic structure and of the formation energies of various point defects in BaSnO3 and SrGeO3. We show that La and Y impurities substituting Ba or Sr are shallow donors with a preferred 1 + charge state. These defects have a low formation energy within all the suitable equilibrium growth conditions considered. Oxygen vacancies behave as shallow donors as well, preferring the 2 + charge state. Their formation energies, however, are higher in most growth conditions, indicating a limited contribution to conductivity. The calculated electron effective mass in BaSnO3, with a value of 0.21 me, and the very high mobility reported recently in La-doped BaSnO3 single-crystals, suggest that remarkably low scattering rates can be achieved in the latter. In the case of SrGeO3, our results point to carrier density and mobility values in the low range for typical polycrystalline TCOs, in line with experiment.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000324920400011 Publication Date 2013-09-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 17 Open Access
Notes FWO;Hercules Approved (up) Most recent IF: 2.649; 2013 IF: 2.223
Call Number UA @ lucian @ c:irua:110495 Serial 2574
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Author Ravi Kishore, V.V.; Partoens, B.; Peeters, F.M.
Title Electronic and optical properties of core-shell nanowires in a magnetic field Type A1 Journal article
Year 2014 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 26 Issue 9 Pages 095501-95512
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic and optical properties of zincblende nanowires are investigated in the presence of a uniform magnetic field directed along the [001] growth direction within the k . p method. We focus our numerical study on core-shell nanowires consisting of the III-V materials GaAs, AlxGa1-xAs and AlyGa1-y/0.51In0.49P. Nanowires with electrons confined in the core exhibit a Fock-Darwin-like spectrum, whereas nanowires with electrons confined in the shell show Aharonov-Bohm oscillations. Thus, by properly choosing the core and the shell materials of the nanowire, the optical properties in a magnetic field can be tuned in very different ways.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000331954500006 Publication Date 2014-02-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 10 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish government. ; Approved (up) Most recent IF: 2.649; 2014 IF: 2.346
Call Number UA @ lucian @ c:irua:115845 Serial 998
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Author Szaszko-Bogar, V.; Foeldi, P.; Peeters, F.M.
Title Oscillating spin-orbit interaction as a source of spin-polarized wavepackets in two-terminal nanoscale devices Type A1 Journal article
Year 2014 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 26 Issue 13 Pages 135302
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Ballistic transport through nanoscale devices with time-dependent Rashba-type spin- orbit interaction (SOI) can lead to spin-polarized wavepackets that appear even for completely unpolarized input. The SOI that oscillates in a finite domain generates density and spin polarization fluctuations that leave the region as propagating waves. In particular, spin polarization has space and time dependence even in regions without SOI. Our results are based on an analytical solution of the time-dependent Schrodinger equation. The relevant Floquet quasi-energies that are obtained appear in the energy spectrum of both the transmitted and the reflected waves.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited Open Access
Notes Approved (up) Most recent IF: 2.649; 2014 IF: 2.346
Call Number UA @ lucian @ c:irua:116844 Serial 2533
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Author Nasr Esfahani, D.; Covaci, L.; Peeters, F.M.
Title Surface correlation effects in two-band strongly correlated slabs Type A1 Journal article
Year 2014 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 26 Issue 7 Pages 075601-75609
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using an extension of the Gutzwiller approximation for an inhomogeneous system, we study the two-band Hubbard model with unequal band widths for a slab geometry. The aim is to investigate the mutual effect of individual bands on the spatial distribution of quasi-particle weight and charge density, especially near the surface of the slab. The main effect of the difference in band width is the presence of two different length scales corresponding to the quasi-particle profile of each band. This is enhanced in the vicinity of the critical interaction of the narrow band where an orbitally selective Mott transition occurs and a surface dead layer forms for the narrow band. For the doped case, two different regimes of charge transfer between the surface and the bulk of the slab are revealed. The charge transfer from surface/ center to center/ surface depends on both the doping level and the average relative charge accumulated in each band. Such effects could also be of importance when describing the accumulation of charges at the interface between structures made of multi-band strongly correlated materials.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000330719500009 Publication Date 2014-01-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 1 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. One of us (LC) is a postdoctoral fellow of the FWO-Vl. ; Approved (up) Most recent IF: 2.649; 2014 IF: 2.346
Call Number UA @ lucian @ c:irua:115723 Serial 3395
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Author Pizzochero, M.; Leenaerts, O.; Partoens, B.; Martinazzo, R.; Peeters, F.M.
Title Hydrogen adsorption on nitrogen and boron doped graphene Type A1 Journal article
Year 2015 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 27 Issue 27 Pages 425502
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Hydrogen adsorption on boron and nitrogen doped graphene is investigated in detail by means of first-principles calculations. A comprehensive study is performed of the structural, electronic, and magnetic properties of chemisorbed hydrogen atoms and atom pairs near the dopant sites. The main effect of the substitutional atoms is charge doping which is found to greatly affect the adsorption process by increasing the binding energy at the sites closest to the substitutional species. It is also found that doping does not induce magnetism despite the odd number of electrons per atom introduced by the foreign species, and that it quenches the paramagnetic response of chemisorbed H atoms on graphene. Overall, the effects are similar for B and N doping, with only minor differences in the adsorption energetics due to different sizes of the dopant atoms and the accompanying lattice distortions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000362573500008 Publication Date 2015-10-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 20 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl). MP gratefully acknowledges the Condensed Matter Theory group at Universiteit Antwerpen for the hospitality during his stay. Approved (up) Most recent IF: 2.649; 2015 IF: 2.346
Call Number c:irua:128759 Serial 3971
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Author Chen, Y.; Hong-Yu, W.; Peeters, F.M.; Shanenko, A.A.
Title Quantum-size effects and thermal response of anti-Kramer-Pesch vortex core Type A1 Journal article
Year 2015 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 27 Issue 27 Pages 125701
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Since the 1960's it has been well known that the basic superconductive quantities can exhibit oscillations as functions of the thickness (diameter) in superconducting nanofilms (nanowires) due to the size quantization of the electronic spectrum. However, very little is known about the effects of quantum confinement on the microscopic properties of vortices. Based on a numerical solution to the Bogoliubov-de Gennes equations, we study the quantum-size oscillations of the vortex core resulting from the sequential interchange of the Kramer-Pesch and anti-Kramer-Pesch regimes with changing nanocylinder radius. The physics behind the anti-Kramer-Pesch anomaly is displayed by utilizing a semi-analytical Anderson approximate solution. We also demonstrate that the anti-Kramer-Pesch vortex core is robust against thermal smearing and results in a distinctive two-maxima structure in the local density of states, which can be used to identify the existence of the anti-Kramer-Pesch vortex.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000351294700018 Publication Date 2015-03-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 4 Open Access
Notes ; This work was supported by the National Natural Science Foundation of China under Grant No. NSFC-11304134, the Flemish Science Foundation (FWO-Vl), and the Methusalem program. AAS acknowledges the support of the Brazilian agencies CNPq (grants 307552/2012-8 and 141911/2012-3) and FACEPE (APQ-0589-1.05/08). WHY acknowledges the support of Scientific Research Fund of Zhejiang Provincial Education Department (Y201120994). ; Approved (up) Most recent IF: 2.649; 2015 IF: 2.346
Call Number c:irua:125460 Serial 2787
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Author Guzzinati, G.; Altantzis, T.; Batuk, M.; De Backer, A.; Lumbeeck, G.; Samaee, V.; Batuk, D.; Idrissi, H.; Hadermann, J.; Van Aert, S.; Schryvers, D.; Verbeeck, J.; Bals, S.
Title Recent Advances in Transmission Electron Microscopy for Materials Science at the EMAT Lab of the University of Antwerp Type A1 Journal article
Year 2018 Publication Materials Abbreviated Journal Materials
Volume 11 Issue 11 Pages 1304
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The rapid progress in materials science that enables the design of materials down to the nanoscale also demands characterization techniques able to analyze the materials down to the same scale, such as transmission electron microscopy. As Belgium’s foremost electron microscopy group, among the largest in the world, EMAT is continuously contributing to the development of TEM techniques, such as high-resolution imaging, diffraction, electron tomography, and spectroscopies, with an emphasis on quantification and reproducibility, as well as employing TEM methodology at the highest level to solve real-world materials science problems. The lab’s recent contributions are presented here together with specific case studies in order to highlight the usefulness of TEM to the advancement of materials science.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000444112800041 Publication Date 2018-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1996-1944 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.654 Times cited 15 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, G.0502.18N, G.0267.18N, G.0120.12N, G.0365.15N, G.0934.17N, S.0100.18N AUHA13009 ; European Research Council, COLOURATOM 335078 ; Universiteit Antwerpen, GOA Solarpaint ; G. Guzzinati, T. Altantzis and A. De Backer have been supported by postdoctoral fellowship grants from the Research Foundation Flanders (FWO). Funding was also received from the European Research Council (starting grant no. COLOURATOM 335078), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no. 770887), the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0502.18N, G.0267.18N, G.0120.12N, G.0365.15N, G.0934.17N, S.0100.18N, G.0401.16N) and from the University of Antwerp through GOA project Solarpaint. Funding for the TopSPIN precession system under grant AUHA13009, as well as for the Qu-Ant-EM microscope, is acknowledged from the HERCULES Foundation. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (F.R.S.-FNRS). (ROMEO:green; preprint:; postprint:can ; pdfversion:can); saraecas; ECAS_Sara; Approved (up) Most recent IF: 2.654
Call Number EMAT @ emat @c:irua:153737UA @ admin @ c:irua:153737 Serial 5064
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Author Reyntjens, P.D.; Tiwari, S.; van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
Title Ab-initio study of magnetically intercalated platinum diselenide : the impact of platinum vacancies Type A1 Journal article
Year 2021 Publication Materials Abbreviated Journal Materials
Volume 14 Issue 15 Pages 4167
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We study the magnetic properties of platinum diselenide (PtSe2) intercalated with Ti, V, Cr, and Mn, using first-principle density functional theory (DFT) calculations and Monte Carlo (MC) simulations. First, we present the equilibrium position of intercalants in PtSe2 obtained from the DFT calculations. Next, we present the magnetic groundstates for each of the intercalants in PtSe2 along with their critical temperature. We show that Ti intercalants result in an in-plane AFM and out-of-plane FM groundstate, whereas Mn intercalant results in in-plane FM and out-of-plane AFM. V intercalants result in an FM groundstate both in the in-plane and the out-of-plane direction, whereas Cr results in an AFM groundstate both in the in-plane and the out-of-plane direction. We find a critical temperature of <0.01 K, 111 K, 133 K, and 68 K for Ti, V, Cr, and Mn intercalants at a 7.5% intercalation, respectively. In the presence of Pt vacancies, we obtain critical temperatures of 63 K, 32 K, 221 K, and 45 K for Ti, V, Cr, and Mn-intercalated PtSe2, respectively. We show that Pt vacancies can change the magnetic groundstate as well as the critical temperature of intercalated PtSe2, suggesting that the magnetic groundstate in intercalated PtSe2 can be controlled via defect engineering.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000682047700001 Publication Date 2021-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1996-1944 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.654 Times cited Open Access OpenAccess
Notes Approved (up) Most recent IF: 2.654
Call Number UA @ admin @ c:irua:180540 Serial 6966
Permanent link to this record
 
 
Author Zelaya, E.; Esquivel, M.R.; Schryvers, D.
Title Evolution of the phase stability of NiAl under low energy ball milling Type A1 Journal article
Year 2013 Publication Advanced powder technology Abbreviated Journal Adv Powder Technol
Volume 24 Issue 6 Pages 1063-1069
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Low energy mechanical alloying of Ni35 at.%Al and Ni40 at.%Al material was performed and the resulting structures were investigated by XRD and TEM. The final intermetallics observed consist of two phases, NiAl(B2) and Ni3Al while 7R and 3R martensite was observed in post-annealed samples. Different integrated milling times were associated to the intermetallic consolidation and initial blend dissociation.
Address
Corporate Author Thesis
Publisher Place of Publication Zeist Editor
Language Wos 000339175000024 Publication Date 2013-03-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-8831; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.659 Times cited 10 Open Access
Notes Fwo Approved (up) Most recent IF: 2.659; 2013 IF: 1.642
Call Number UA @ lucian @ c:irua:107345 Serial 1102
Permanent link to this record
 
 
Author Zaghi, A.E.; Buffière, M.; Brammertz, G.; Batuk, M.; Lenaers, N.; Kniknie, B.; Hadermann, J.; Meuris, M.; Poortmans, J.; Vleugels, J.
Title Mechanical synthesis of high purity Cu-In-Se alloy nanopowder as precursor for printed CISe thin film solar cells Type A1 Journal article
Year 2014 Publication Advanced powder technology Abbreviated Journal Adv Powder Technol
Volume 25 Issue 4 Pages 1254-1261
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Mechanical alloying and ball milling are low cost, up-scalable techniques for the preparation of high purity chalcogenide nanopowders to be used as precursor material for printing thin film solar cells. In this study, high purity copper indium selenium (Cu-In-Se) alloy nanopowders with 20-200 nm particle size were synthesized from macroscopic elemental Cu, In and Se powders via mechanical alloying and planetary ball milling. The particle size distribution, morphology, composition, and purity level of the synthesized Cu-In-Se alloy nanopowders were investigated. Thin Cu-In-Se alloy nanopowder ink coatings, deposited on Mo-coated glass substrates by doctor blading, were converted into a CuInSe2 semiconductor film by selenization heat treatment in Se vapor. The CuInSe2 film showed semiconducting band gap around 1 eV measured by photoluminescence spectroscopy. CuInSe2 absorber layer based thin film solar cell devices were fabricated to assess their performance. The solar cell device showed a total efficiency of 4.8%, as measured on 0.25 cm(2) area cell. (c) 2014 The Society of Powder Technology Japan. Published by Elsevier B.V. and The Society of Powder Technology Japan. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Zeist Editor
Language Wos 000341871700015 Publication Date 2014-03-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-8831; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.659 Times cited 10 Open Access
Notes Approved (up) Most recent IF: 2.659; 2014 IF: 2.638
Call Number UA @ lucian @ c:irua:119896 Serial 1977
Permanent link to this record
 
 
Author de Backer, J.W.; Vanderveken, O.M.; Vos, W.G.; Devolder, A.; Verhulst, S.L.; Verbraecken, J.A.; Parizel, P.M.; Braem, M.J.; van de Heyning, P.H.; de Backer, W.A.
Title Functional imaging using computational fluid dynamics to predict treatment success of mandibular advancement devices in sleep-disordered breathing Type A1 Journal article
Year 2007 Publication Journal of biomechanics Abbreviated Journal J Biomech
Volume 40 Issue 16 Pages 3708-3714
Keywords A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000251845100020 Publication Date 2007-08-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9290; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.664 Times cited 66 Open Access
Notes Approved (up) Most recent IF: 2.664; 2007 IF: 2.897
Call Number UA @ lucian @ c:irua:64860 Serial 1299
Permanent link to this record
 
 
Author de Backer, J.W.; Vos, W.G.; Devolder, A.; Verhulst, S.L.; Germonpré, P.; Wuyts, F.L.; Parizel, P.M.; de Backer, W.
Title Computational fluid dynamics can detect changes in airway resistance in asthmatics after acute bronchodilation Type A1 Journal article
Year 2008 Publication Journal of biomechanics Abbreviated Journal J Biomech
Volume 41 Issue 1 Pages 106-113
Keywords A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000253062100014 Publication Date 2007-08-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9290; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.664 Times cited 53 Open Access
Notes Approved (up) Most recent IF: 2.664; 2008 IF: 2.784
Call Number UA @ lucian @ c:irua:64859 Serial 456
Permanent link to this record
 
 
Author van Holsbeke, C.; de Backer, J.; Vos, W.; Verdonck, P.; van Ransbeeck, P.; Claessens, T.; Braem, M.; Vanderveken, O.; de Backer, W.
Title Anatomical and functional changes in the upper airways of sleep apnea patients due to mandibular repositioning: a large scale study Type A1 Journal article
Year 2011 Publication Journal of biomechanics Abbreviated Journal J Biomech
Volume 44 Issue 3 Pages 442-449
Keywords A1 Journal article; Condensed Matter Theory (CMT); Vision lab; Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW)
Abstract The obstructive sleep apnea-hypopnea syndrome (OSAHS) is a sleep related breathing disorder. A popular treatment is the use of a mandibular repositioning appliance (MRA) which advances the mandibula during the sleep and decreases the collapsibility of the upper airway. The success rate of such a device is, however, limited and very variable within a population of patients. Previous studies using computational fluid dynamics have shown that there is a decrease in upper airway resistance in patients who improve clinically due to an MRA. In this article, correlations between patient-specific anatomical and functional parameters are studied to examine how MRA induced biomechanical changes will have an impact on the upper airway resistance. Low-dose computed tomography (CT) scans are made from 143 patients suffering from OSAHS. A baseline scan and a scan after mandibular repositioning (MR) are performed in order to study variations in parameters. It is found that MR using a simulation bite is able to induce resistance changes by changing the pharyngeal lumen. The change in minimal cross-sectional area is the best parameter to predict the change in upper airway resistance. Looking at baseline values, the ideal patients for MR induced resistance decrease seem to be women with short airways, high initial resistance and no baseline occlusion.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000287551000014 Publication Date 2010-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9290; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.664 Times cited 23 Open Access
Notes ; ; Approved (up) Most recent IF: 2.664; 2011 IF: 2.434
Call Number UA @ lucian @ c:irua:85305 Serial 112
Permanent link to this record
 
 
Author Moro, G.; Cristofori, D.; Bottari, F.; Cattaruzza, E.; De Wael, K.; Moretto, L.M.
Title Redesigning an electrochemical MIP sensor for PFOS : practicalities and pitfalls Type A1 Journal article
Year 2019 Publication Sensors Abbreviated Journal Sensors-Basel
Volume 19 Issue 20 Pages 4433
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract There is a growing interest in the technological transfer of highly performing electrochemical sensors within portable analytical devices for the in situ monitoring of environmental contaminants, such as perfluorooctanesulfonic acid (PFOS). In the redesign of biomimetic sensors, many parameters should be taken into account from the working conditions to the electrode surface roughness. A complete characterization of the surface modifiers can help to avoid time-consuming optimizations and better interpret the sensor responses. In the present study, a molecularly imprinted polymer electrochemical sensor (MIP) for PFOS optimized on gold disk electrodes was redesigned on commercial gold screen-printed electrodes. However, its performance investigated by differential pulse voltammetry was found to be poor. Before proceeding with further optimization, a morphological study of the bare and modified electrode surfaces was carried out by scanning electron microscopy-energy-dispersive X-ray spectrometry (SEM-EDS), atomic force microscopy (AFM) and profilometry revealing an heterogeneous distribution of the polymer strongly influenced by the electrode roughness. The high content of fluorine of the target-template molecule allowed to map the distribution of the molecularly imprinted polymer before the template removal and to define a characterization protocol. This case study shows the importance of a multi-analytical characterization approach and identify significant parameters to be considered in similar redesigning studies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000497864700081 Publication Date 2019-10-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1424-8220 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.677 Times cited Open Access
Notes ; ; Approved (up) Most recent IF: 2.677
Call Number UA @ admin @ c:irua:164686 Serial 5808
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Author Chwiej, T.; Bednarek, S.; Adamowski, J.; Szafran, B.; Peeters, F.M.
Title Coulomb-interaction driven anomaly in the Stark effect for an exciton in vertically coupled quantum dots Type A1 Journal article
Year 2005 Publication Journal of luminescence T2 – 6th International Conference on Excitonic Processes in Condensed Matter, (EXCON 04), JUL 06-09, 2004, Cracow, POLAND Abbreviated Journal J Lumin
Volume 112 Issue 1-4 Pages 122-126
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effect of the electric field on an exciton confined in a pair of vertically coupled quantum dots is studied. We use a single-band approximation and a parabolic model potential. As a result of these idealizations, we obtain a numerically solvable model, which is used to describe the influence of the electron-hole interaction on the Stark effect for the lowest-energy photo luminescence lines. We show that for intermediate tunnel coupling between the dots this interaction leads to an anomalous Stark effect with an essential deviation of the recombination energy from the usual quadratic dependence on the electric field. (c) 2004 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000228439600029 Publication Date 2004-12-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2313; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.686 Times cited 10 Open Access
Notes Approved (up) Most recent IF: 2.686; 2005 IF: 1.518
Call Number UA @ lucian @ c:irua:103675 Serial 532
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Author Li, K.; Idrissi, H.; Sha, G.; Song, M.; Lu, J.; Shi, H.; Wang, W.; Ringer, S.P.; Du, Y.; Schryvers, D.
Title Quantitative measurement for the microstructural parameters of nano-precipitates in Al-Mg-Si-Cu alloys Type A1 Journal article
Year 2016 Publication Materials characterization Abbreviated Journal Mater Charact
Volume 118 Issue 118 Pages 352-362
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Size, number density and volume fraction of nano-precipitates are important microstructural parameters controlling the strengthening of materials. In this work a widely accessible, convenient, moderately time efficient method with acceptable accuracy and precision has been provided for measurement of volume fraction of nano-precipitates in crystalline materials. The method is based on the traditional but highly accurate technique of measuring foil thickness via convergent beam electron diffraction. A new equation is proposed and verified with the aid of 3-dimensional atom probe (3DAP) analysis, to compensate for the additional error resulted from the hardly distinguishable contrast of too short incomplete precipitates cut by the foil surface. The method can be performed on a regular foil specimen with a modem LaB6 or field-emission-gun transmission electron microscope. Precisions around +/- 16% have been obtained for precipitate volume fractions of needle-like beta ''/C and Q precipitates in an aged Al-Mg-Si-Cu alloy. The measured number density is dose to that directly obtained using 3DAP analysis by a misfit of 45%, and the estimated precision for number density measurement is about +/- 11%. The limitations of the method are also discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000383292000042 Publication Date 2016-06-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited 9 Open Access
Notes This work is financially supported by National Natural Science Foundation of China (51501230 and 51531009) and Postdoctoral Science Foundation of Central South University (502042057). H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs under Contract No. P7/21 and FWO project G.0576.09N. Approved (up) Most recent IF: 2.714
Call Number EMAT @ emat @ c:irua:137171 Serial 4334
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Author Du, C.; Hoefnagels, J.P.M.; Kolling, S.; Geers, M.G.D.; Sietsma, J.; Petrov, R.; Bliznuk, V.; Koenraad, P.M.; Schryvers, D.; Amin-Ahmadi, B.
Title Martensite crystallography and chemistry in dual phase and fully martensitic steels Type A1 Journal article
Year 2018 Publication Materials characterization Abbreviated Journal Mater Charact
Volume 139 Issue Pages 411-420
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Lath martensite is important in industry because it is the key strengthening component in many advanced high strength steels. The study of crystallography and chemistry of lath martensite is extensive in the literature, however, mostly based on fully martensitic steels. In this work, lath martensite in dual phase steels is investigated with a focus on the substructure identification of the martensite islands and microstructural bands using electron backscattered diffraction, and on the influence of the accompanied tempering process during industrial coating process on the distribution of alloying elements using atom probe tomography. Unlike findings for the fully martensitic steels, no martensite islands with all 24 Kurdjumov-Sachs variants have been observed. Almost all martensite islands contain only one main packet with all six variants and minor variants from the remaining three packets of the same prior austenite grain. Similarly, the martensite bands are typically composed of connected domains originating from prior austenite grains, each containing one main packets (mostly with all variants) and few separate variants. The effect of tempering at similar to 450 degrees C (due to the industrial zinc coating process) has also been investigated. The results show a strong carbon partitioning to lath boundaries and Cottrell atmospheres at dislocation core regions due to the thermal process of coating. In contrast, auto-tempering contributes to the carbon redistribution only in a limited manner. The substitutional elements are all homogenously distributed. The phase transformation process has two effects on the material: mechanically, the earlier-formed laths are larger and softer and therefore more ductile (as revealed by nanoindentation); chemically, due to the higher dislocation density inside the later-formed laths, which are generally smaller, carbon Cottrell atmospheres are predominantly observed.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000431469300044 Publication Date 2018-03-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited Open Access Not_Open_Access
Notes Approved (up) Most recent IF: 2.714
Call Number UA @ lucian @ c:irua:151554 Serial 5033
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Author Pourbabak, S.; Montero-Sistiaga, M.L.; Schryvers, D.; Van Humbeeck, J.; Vanmeensel, K.
Title Microscopic investigation of as built and hot isostatic pressed Hastelloy X processed by Selective Laser Melting Type A1 Journal article
Year 2019 Publication Materials characterization Abbreviated Journal Mater Charact
Volume 153 Issue Pages 366-371
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Microstructural characteristics of Hastelloy X produced by Selective Laser Melting have been investigated by various microscopic techniques in the as built (AB) condition and after hot isostatic pressing (HIP). At sub-grain level the AB material consists of columnar high density dislocation cells while the HIP sample consists of columnar sub-grains with lower dislocation density that originate from the original dislocation cells, contradicting existing models. The sub-grains contain nanoscale precipitates enriched in Al, Ti, Cr and O, located at sub-grain boundaries in the AB condition and within the grains after HIP. At some grain boundaries, micrometer sized chromium carbides are detected after HIP. Micro hardness within the grains was found to decrease after HIP, which was attributed to the decrease in dislocation density due to recovery annealing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000472696900040 Publication Date 2019-05-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited 2 Open Access Not_Open_Access
Notes S.P. likes to thank the Flemish Science Foundation FWO for financial support under Project G.0366.15N. The authors acknowledge ENGIE Research and Technology Division for the use of the SLM280HL machine and financial support. This work was also made possible through the AUHA13009 grant “TopSPIN for TEM nanostatistics” of the Flemish HERCULES foundation. Approved (up) Most recent IF: 2.714
Call Number EMAT @ emat @UA @ admin @ c:irua:159974 Serial 5178
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Author Charalampopoulou, E.; Lambrinou, K.; Van der Donck, T.; Paladino, B.; Di Fonzo, F.; Azina, C.; Eklund, P.; Mraz, S.; Schneider, J.M.; Schryvers, D.; Delville, R.
Title Early stages of dissolution corrosion in 316L and DIN 1.4970 austenitic stainless steels with and without anticorrosion coatings in static liquid lead-bismuth eutectic (LBE) at 500 degrees C Type A1 Journal article
Year 2021 Publication Materials Characterization Abbreviated Journal Mater Charact
Volume 178 Issue Pages 111234
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract This work addresses the early stages (<= 1000 h) of the dissolution corrosion behavior of 316L and DIN 1.4970 austenitic stainless steels in contact with oxygen-poor (C-O < 10(-8) mass%), static liquid lead-bismuth eutectic (LBE) at 500 degrees C for 600-1000 h. The objective of this study was to determine the relative early-stage resistance of the uncoated steels to dissolution corrosion and to assess the protectiveness of select candidate coatings (Cr2AlC, Al2O3, V2AlxCy). The simultaneous exposure of steels with intended differences in microstructure and thermomechanical state showed the effects of steel grain size, density of annealing/deformation twins, and secondary precipitates on the steel dissolution corrosion behavior. The findings of this study provide recommendations on steel manufacturing with the aim of using the steels to construct Gen-IV lead-cooled fast reactors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000752582700001 Publication Date 2021-06-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited Open Access OpenAccess
Notes Approved (up) Most recent IF: 2.714
Call Number UA @ admin @ c:irua:186509 Serial 7061
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Author Tirry, W.; Bouvier, S.; Benmhenni, N.; Hammami, W.; Habraken, A.M.; Coghe, F.; Schryvers, D.; Rabet, L.
Title Twinning in pure Ti subjected to monotonic simple shear deformation Type A1 Journal article
Year 2012 Publication Materials characterization Abbreviated Journal Mater Charact
Volume 72 Issue Pages 24-36
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The aim of this paper is to provide a thorough study on the occurrence and importance of deformation twinning in simple shear deformed pure α-Ti. A statistically relevant inspection of the morphology of the deformation twins in relation to the applied strain/deformation is performed. The investigated microstructural aspects are the twin volume fraction, the twin thickness distribution and the resolved shear stress distribution on the twin plane. All these aspects are examined as a function of the twin types and two initial textures. Monotonic simple shear experiments are carried out for three different loading directions with respect to a direction linked to the initial crystallographic texture. EBSD and TEM observations reveal the presence of View the MathML source and View the MathML source twins. The statistical analysis reveals that View the MathML source and View the MathML source twins have a similar average thickness around 1.9 nm, but the View the MathML source twins show a far larger spread on their thickness and can grow to almost the size of the original parent grain. Correlation of the twin fractions with the RSS analysis shows that RSS is an acceptable method explaining the difference in twin fractions for different textures and orientations. A detailed analysis shows that View the MathML source twins occur in average with a smaller volume fraction but with a higher RSS, indicating they are more difficult to nucleate or grow compared to View the MathML source twinning. In general a higher RSS value on the twin plane is not connected to a higher twin thickness; only in the case of View the MathML source twins the highest RSS values show clearly thicker twins.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000309086700004 Publication Date 2012-07-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited 25 Open Access
Notes Iap Approved (up) Most recent IF: 2.714; 2012 IF: 1.880
Call Number UA @ lucian @ c:irua:101225 Serial 3768
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Author Espinoza Torres, C.; Condó, A.M.; Haberkorn, N.; Zelaya, E.; Schryvers, D.; Guimpel, J.; Lovey, F.C.
Title Structures in textured Cu-Al-Ni shape memory thin films grown by sputtering Type A1 Journal article
Year 2014 Publication Materials characterization Abbreviated Journal Mater Charact
Volume 96 Issue Pages 256-262
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The structure and texture formation in CuAlNi thin films of different thicknesses (1 μm to 5 μm) grown by DC magnetron sputtering without any intentional heating of the substrate are reported. The as-grown films present grains with an average size of 20 nm. The films with thickness of 1 μm have a single metastable phase with a hexagonal structure and are textured with planes (0002) parallel to the plane of the films. It was observed that thicker films present phase coexistence between metastable hexagonal and body centered cubic structures with a gradual increment of the body centered cubic phase fraction. The films with thickness of 5 μm are textured with planes (0002) and View the MathML source101¯0 in the hexagonal structure, whereas in the body centered cubic structure the films are textured with {110} planes parallel to the plane of the films. This fact can be associated with self-heating of the substrate during the growth of the films and with the relative stability of the metastable phases. Free standing films annealed in a second step (1123 K for 1 h) present austenitic phase with L21 structure and sub-micrometric grains textured with {220}L21 planes parallel to the plane of the films. The martensitic transformation temperature was determined from the analysis of resistance against temperature measurements.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000343346400032 Publication Date 2014-08-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited 9 Open Access
Notes (CONICET PIP 11220090100457) and MINCYT-FWO International Exchange Project FW/09/03 is also acknowledged Approved (up) Most recent IF: 2.714; 2014 IF: 1.845
Call Number UA @ lucian @ c:irua:118931 Serial 3321
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Author Anaf, W.; Horemans, B.; Madeira, T.I.; Carvalho, M.L.; De Wael, K.; Van Grieken, R.
Title Effects of a constructional intervention on airborne and deposited particulate matter in the Portuguese National Tile Museum, Lisbon Type A1 Journal article
Year 2013 Publication Environmental Science and Pollution Research Abbreviated Journal Environ Sci Pollut R
Volume 20 Issue 3 Pages 1849-1857
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In the 1970s, a large ambulatory of the National Tile Museum, Lisbon, was closed with glass panes on both ground and first floor. Although this design was meant to protect the museum collection from ambient air pollutants, small openings between the glass panes remain, creating a semi-enclosed corridor. The effects of the glass panes on the indoor air quality were evaluated in a comparative study by monitoring the airborne particle concentration and the extent of particle deposition at the enclosed corridor as well as inside the museum building. Comparison of the indoor/outdoor ratio of airborne particle concentration demonstrated a high natural ventilation rate in the enclosed corridor as well as inside the museum building. PM10 deposition velocities on vertical surfaces were estimated in the order of 3 × 10−4 m s−1 for both indoor locations. Also, the deposition rates of dark-coloured and black particles in specific were very similar at both indoor locations, causing visual degradation. The effectiveness of the glass panes in protecting the museum collection is discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000315442500061 Publication Date 2012-07-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0944-1344; 1614-7499 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.741 Times cited 15 Open Access
Notes ; ; Approved (up) Most recent IF: 2.741; 2013 IF: 2.757
Call Number UA @ admin @ c:irua:100214 Serial 5583
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Author Stosic, D.; Stosic, D.; Ludermir, T.; Stosic, B.; Milošević, M.V.
Title GPU-advanced 3D electromagnetic simulations of superconductors in the Ginzburg-Landau formalism Type A1 Journal article
Year 2016 Publication Journal of computational physics Abbreviated Journal J Comput Phys
Volume 322 Issue 322 Pages 183-198
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Ginzburg-Landau theory is one of the most powerful phenomenological theories in physics, with particular predictive value in superconductivity. The formalism solves coupled nonlinear differential equations for both the electronic and magnetic responsiveness of a given superconductor to external electromagnetic excitations. With order parameter varying on the short scale of the coherence length, and the magnetic field being long-range, the numerical handling of 3D simulations becomes extremely challenging and time-consuming for realistic samples. Here we show precisely how one can employ graphics-processing units (GPUs) for this type of calculations, and obtain physics answers of interest in a reasonable time-frame – with speedup of over 100x compared to best available CPU implementations of the theory on a 2563grid. (C) 2016 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000381585100010 Publication Date 2016-06-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.744 Times cited 4 Open Access
Notes ; This work was supported through research grants from Brazilian agencies CNPq (306719/2012-6, 140840/2016-8) and FACEPE (IBPG-0510-1.03/15), BOF-UA, and the Research Foundation-Flanders (FWO-Vlaanderen). ; Approved (up) Most recent IF: 2.744
Call Number UA @ lucian @ c:irua:137115 Serial 4354
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Author Van de Put, M.L.; Sorée, B.; Magnus, W.
Title Efficient solution of the Wigner-Liouville equation using a spectral decomposition of the force field Type A1 Journal article
Year 2017 Publication Journal of computational physics Abbreviated Journal J Comput Phys
Volume 350 Issue Pages 314-325
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The Wigner-Liouville equation is reformulated using a spectral decomposition of the classical force field instead of the potential energy. The latter is shown to simplify the Wigner-Liouville kernel both conceptually and numerically as the spectral force Wigner-Liouville equation avoids the numerical evaluation of the highly oscillatory Wigner kernel which is nonlocal in both position and momentum. The quantum mechanical evolution is instead governed by a term local in space and non-local in momentum, where the non locality in momentum has only a limited range. An interpretation of the time evolution in terms of two processes is presented; a classical evolution under the influence of the averaged driving field, and a probability-preserving quantum-mechanical generation and annihilation term. Using the inherent stability and reduced complexity, a direct deterministic numerical implementation using Chebyshev and Fourier pseudo-spectral methods is detailed. For the purpose of illustration, we present results for the time evolution of a one-dimensional resonant tunneling diode driven out of equilibrium. (C) 2017 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000413379000016 Publication Date 2017-09-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.744 Times cited 5 Open Access
Notes ; ; Approved (up) Most recent IF: 2.744
Call Number UA @ lucian @ c:irua:146630 Serial 4780
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Author Schryvers, D.; Boullay, P.; Potapov, P.L.; Kohn, R.V.; Ball, J.M.
Title Microstructures and interfaces in Ni-Al martensite: comparing HRTEM observations with continuum theories Type A1 Journal article
Year 2002 Publication International journal of solids and structures Abbreviated Journal Int J Solids Struct
Volume 39 Issue Pages 3543-3554
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000176752500014 Publication Date 2002-10-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-7683; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.76 Times cited 13 Open Access
Notes Approved (up) Most recent IF: 2.76; 2002 IF: 1.080
Call Number UA @ lucian @ c:irua:48771 Serial 2078
Permanent link to this record
 
 
Author Borhani, A.H.; Berghmans, H.; Trashin, S.; De Wael, K.; Fago, A.; Moens, L.; Habibi-Rezaei, M.; Dewilde, S.
Title Kinetic properties and heme pocket structure of two domains of the polymeric hemoglobin of Artemia in comparison with the native molecule Type A1 Journal article
Year 2015 Publication Biochimica et biophysica acta : proteins and proteomics Abbreviated Journal Bba-Proteins Proteom
Volume 1854 Issue 10a Pages 1307-1316
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In this project, we studied some physicochemical properties of two different globin domains of the polymeric hemoglobin of the brine shrimp Artemia salina and compared them with those of the native molecule. Two domains (AsHbC1D1 and AsHbC1D5) were cloned and expressed in BL21(DE3)pLysS strain of Escherichiacoli. The recombinant proteins as well as the native hemoglobin (AfHb) were purified from bacteria and frozen Artemia, respectively by standard chromatographic methods and assessed by SDS-PAGE. The heme environment of these proteins was studied by optical spectroscopy and ligand-binding kinetics (e.g. CO association and O2 binding affinity) were measured for the two recombinant proteins and the native hemoglobin. This indicates that the CO association rate for AsHbC1D1 is higher than that of AsHbC1D5 and AfHb, while the calculated P50 value for AsHbC1D1 is lower than that of AsHbC1D5 and AfHb. The geminate and bimolecular rebinding parameters indicate a significant difference between both domains. Moreover, EPR results showed that the heme pocket in AfHb is in a more closed conformation than the heme pocket in myoglobin. Finally, the reduction potential of − 0.13 V versus the standard hydrogen electrode was determined for AfHb by direct electrochemical measurements. It is about 0.06 V higher than the potential of the single domain AsHbC1D5. This work shows that each domain in the hemoglobin of Artemia has different characteristics of ligand binding.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000362307500008 Publication Date 2015-05-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1570-9639 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.773 Times cited Open Access
Notes ; This work was supported by the general grant for visiting scholar of the Ministry of Science, Research and Technology of I. R. Iran and by the University of Antwerp. ; Approved (up) Most recent IF: 2.773; 2015 IF: 2.747
Call Number UA @ admin @ c:irua:125909 Serial 5683
Permanent link to this record
 
 
Author Rehor, I.; Mackova, H.; Filippov, S.K.; Kucka, J.; Proks, V.; Slegerova, J.; Turner, S.; Van Tendeloo, G.; Ledvina, M.; Hruby, M.; Cigler, P.;
Title Fluorescent nanodiamonds with bioorthogonally reactive protein-resistant polymeric coatings Type A1 Journal article
Year 2014 Publication ChemPlusChem Abbreviated Journal Chempluschem
Volume 79 Issue 1 Pages 21-24
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The novel synthesis of a polymeric interface grown from the surface of bright fluorescent nanodiamonds is reported. The polymer enables bioorthogonal attachment of various molecules by click chemistry; the particles are resistant to nonspecific protein adsorption and show outstanding colloidal stability in buffers and biological media. The coating fully preserves the unique optical properties of the nitrogen-vacancy centers that are crucial for bioimaging and sensoric applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000337974900002 Publication Date 2013-12-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2192-6506; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.797 Times cited 34 Open Access
Notes EU 7FP Program (no.262348); European Soft Matter Infrastructure; ESMI; ERC (grant no.246791)-COUNTATOMS; FWO Approved (up) Most recent IF: 2.797; 2014 IF: 2.997
Call Number UA @ lucian @ c:irua:113088 Serial 1235
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