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Author Tyutyunnik, A.P.; Slobodin, B.V.; Samigullina, R.F.; Verberck, B.; Tarakina, N.V.
Title K2CaV2O7 : a pyrovanadate with a new layered type of structure in the A2BV2O7 family Type A1 Journal article
Year 2013 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal Dalton T
Volume 42 Issue 4 Pages 1057-1064
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The crystal structure of K2CaV2O7 prepared by a conventional solid-state reaction has been solved by a direct method and refined using Rietveld full profile fitting based on X-ray powder diffraction data. This compound crystallises in the triclinic space group (P (1) over bar, Z = 2) with unit cell constants a = 7.1577(1) angstrom, b = 10.5104(2) angstrom, c = 5.8187(1) angstrom, alpha = 106.3368(9)degrees, beta = 106.235(1)degrees, gamma = 71.1375(9)degrees. The structure can be described as infinite undulating CaV2O72- layers parallel to the ac plane, which consist of pairs of edge-sharing CaO6 octahedra connected to each other through V2O7 pyrogroups. The potassium atoms are positioned in two sites between the layers, with a distorted IX-fold coordination of oxygen atoms. The chemical composition obtained from the structural solution was confirmed by energy-dispersive X-ray analysis. The stability of compounds in the family of alkali metal calcium pyrovanadates is discussed based on an analysis of the correlation between anion and cation sizes and theoretical first-principles calculations.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000312659200030 Publication Date 2012-10-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1477-9226;1477-9234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.029 Times cited 3 Open Access
Notes ; N.V.T. acknowledges funding by the Bavarian Ministry of Sciences, Research and the Arts. B. V. was financially supported by the Flemish Science Foundation (FWO-Vlaanderen). ; Approved Most recent IF: 4.029; 2013 IF: 4.097
Call Number (down) UA @ lucian @ c:irua:105945 Serial 3536
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Author Geurts, R.; Milošević, M.V.; Albino Aguiar, J.; Peeters, F.M.
Title Enhanced stability of vortex-antivortex states in two-component mesoscopic superconductors Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 2 Pages 024501-24508
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the Ginzburg-Landau (GL) theory, we calculate the stability of sample symmetry-induced vortex-antivortex molecules in a mesoscopic superconducting bilayer exposed to a homogeneous magnetic field. We demonstrate the conditions under which the two condensates cooperatively broaden the field-temperature stability range of the composite (joint) vortex-antivortex state. In cases when such broadening is not achieved, a reentrance of the vortex-antivortex state is found at lower temperatures. In a large portion of the phase diagram noncomposite states are possible, in which the antivortex is present in only one of the layers. In this case, we demonstrate that the vortex-antivortex molecule in one of the layers can be pinned and enlarged by interaction with a vortex molecule in the other. Using analogies in the respective GL formalisms, we map our findings for the bilayer onto mesoscopic two-band superconductors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000313029800003 Publication Date 2013-01-04
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 25 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen), the Brazilian science agencies FACEPE/CNPq under Grant No. APQ-0589-1.05/08 and CNPq under Grant No. 309832/2007-1, and the CNPq-FWO cooperation program under Grant No. 490681/2010-7. M.V.M. acknowledges support from the CAPES-PVE program. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number (down) UA @ lucian @ c:irua:105925 Serial 1058
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Author Van Aert, S.; de Backer, A.; Martinez, G.T.; Goris, B.; Bals, S.; Van Tendeloo, G.; Rosenauer, A.
Title Procedure to count atoms with trustworthy single-atom sensitivity Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 6 Pages 064107-6
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report a method to reliably count the number of atoms from high-angle annular dark field scanning transmission electron microscopy images. A model-based analysis of the experimental images is used to measure scattering cross sections at the atomic level. The high sensitivity of these measurements in combination with a thorough statistical analysis enables us to count atoms with single-atom sensitivity. The validity of the results is confirmed by means of detailed image simulations. We will show that the method can be applied to nanocrystals of arbitrary shape, size, and atom type without the need for a priori knowledge about the atomic structure.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000315144700006 Publication Date 2013-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 106 Open Access
Notes FWO; 262348 ESMI; 312483 ESTEEM2;246791 COUNTATOMS; Hercules 3; esteem2_jra2 Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number (down) UA @ lucian @ c:irua:105674 Serial 2718
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Author Neyts, E.C.; Ostrikov, K.; Han, Z.J.; Kumar, S.; van Duin, A.C.T.; Bogaerts, A.
Title Defect healing and enhanced nucleation of carbon nanotubes by low-energy ion bombardment Type A1 Journal article
Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 110 Issue 6 Pages 065501-65505
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Structural defects inevitably appear during the nucleation event that determines the structure and properties of single-walled carbon nanotubes. By combining ion bombardment experiments with atomistic simulations we reveal that ion bombardment in a suitable energy range allows these defects to be healed resulting in an enhanced nucleation of the carbon nanotube cap. The enhanced growth of the nanotube cap is explained by a nonthermal ion-induced graphene network restructuring mechanism.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000314687300022 Publication Date 2013-02-07
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 50 Open Access
Notes Approved Most recent IF: 8.462; 2013 IF: 7.728
Call Number (down) UA @ lucian @ c:irua:105306 Serial 616
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Author Peirs, J.; Tirry, W.; Amin-Ahmadi, B.; Coghe, F.; Verleysen, P.; Rabet, L.; Schryvers, D.; Degrieck, J.
Title Microstructure of adiabatic shear bands in Ti6Al4V Type A1 Journal article
Year 2013 Publication Materials characterization Abbreviated Journal Mater Charact
Volume 75 Issue Pages 79-92
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Microstructural deformation mechanisms in adiabatic shear bands in Ti6Al4V are studied using traditional TEM and selected area diffraction, and more advanced microstructural characterisation techniques such as energy dispersive X-ray spectroscopy, high angle annular dark field STEM and conical dark field TEM. The shear bands under investigation are induced in Ti6Al4V samples by high strain rate compression of cylindrical and hat-shaped specimens in a split Hopkinson pressure bar setup. Samples from experiments interrupted at different levels of deformation are used to study the evolution of the microstructure in and nearby the shear bands. From the early stages of adiabatic shear band formation, TEM revealed strongly elongated equiaxed grains in the shear band. These band-like grains become narrower towards the centre of the band and start to fraction even further along their elongated direction to finally result in a nano-crystalline region in the core. In fully developed shear bands, twins and a needle-like martensite morphology are observed near the shear band.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000314860900011 Publication Date 2012-11-07
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 56 Open Access
Notes Iuap; Fwo Approved Most recent IF: 2.714; 2013 IF: 1.925
Call Number (down) UA @ lucian @ c:irua:105300 Serial 2065
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Author Dixit, H.; Lamoen, D.; Partoens, B.
Title Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions Type A1 Journal article
Year 2013 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 25 Issue 3 Pages 035501-35505
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000313100500010 Publication Date 2012-12-12
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 7 Open Access
Notes Fwo Approved Most recent IF: 2.649; 2013 IF: 2.223
Call Number (down) UA @ lucian @ c:irua:105296 Serial 2801
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Author Lichtert, S.; Verbeeck, J.
Title Statistical consequences of applying a PCA noise filter on EELS spectrum images Type A1 Journal article
Year 2013 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 125 Issue Pages 35-42
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Principal component analysis (PCA) noise filtering is a popular method to remove noise from experimental electron energy loss (EELS) spectrum images. Here, we investigate the statistical behaviour of this method by applying it on a simulated data set with realistic noise levels. This phantom data set provides access to the true values contained in the data set as well as to many different realizations of the noise. Using least squares fitting and parameter estimation theory, we demonstrate that even though the precision on the estimated parameters can be better as the CramérRao lower bound, a significant bias is introduced which can alter the conclusions drawn from experimental data sets. The origin of this bias is in the incorrect retrieval of the principal loadings for noisy data. Using an expression for the bias and precision of the singular values from literature, we present an evaluation criterion for these singular values based on the noise level and the amount of information present in the data set. This criterion can help to judge when to avoid PCA noise filtering in practical situations. Further we show that constructing elemental maps of PCA noise filtered data using the background subtraction method, does not guarantee an increase in the signal to noise ratio due to correlation of the spectral data as a result of the filtering process.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000314679700006 Publication Date 2012-10-27
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 54 Open Access
Notes Fwo; Countatoms; Vortex; Esteem 312483; esteem2jra3 ECASJO; Approved Most recent IF: 2.843; 2013 IF: 2.745
Call Number (down) UA @ lucian @ c:irua:105293 Serial 3153
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Author Tzedaki, G.; M.; Turner, S.; Godet, S.; De Graeve, I.; Kernig, B.; Hasenclever, J.; Terryn, H.
Title Structure and formation mechanism of rolled-in oxide areas on aluminum lithographic printing sheets Type A1 Journal article
Year 2013 Publication Scripta materialia Abbreviated Journal Scripta Mater
Volume 68 Issue 5 Pages 233-236
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The subsurface area introduced during rolling on the 1100 aluminum alloy series alters its surface properties, which makes it more susceptible to corrosion. A combination of different transmission electron microscopy techniques is employed to observe the orientation of small grain structures and the distribution elements in the subsurface layer. This approach provided valuable insight into the formation mechanism of the layer and the phenomena taking place during rolling.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000314012000003 Publication Date 2012-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6462; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.747 Times cited 6 Open Access
Notes Fwo Approved Most recent IF: 3.747; 2013 IF: 2.968
Call Number (down) UA @ lucian @ c:irua:105288 Serial 3277
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Author Verbeeck, J.; Tian, H.; Van Tendeloo, G.
Title How to manipulate nanoparticles with an electron beam? Type A1 Journal article
Year 2013 Publication Advanced materials Abbreviated Journal Adv Mater
Volume 25 Issue 8 Pages 1114-1117
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000315102600003 Publication Date 2012-11-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0935-9648; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 19.791 Times cited 75 Open Access
Notes FWO; VORTEX; Countatoms ECASJO_; Approved Most recent IF: 19.791; 2013 IF: 15.409
Call Number (down) UA @ lucian @ c:irua:105287UA @ admin @ c:irua:105287 Serial 1494
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Author Kishore, V.V.R.
Title Electronic structure of core-shell nanowires 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 (down) UA @ lucian @ c:irua:105035 Serial 1013
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Author Neyts, E.C.; Bogaerts, A.
Title 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 (down) UA @ lucian @ c:irua:104725 Serial 404
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Author Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C.
Title 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 (down) UA @ lucian @ c:irua:104719 Serial 190
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Author Schryvers, D.; Shi, H.; Martinez, G.T.; Van Aert, S.; Frenzel, J.; Van Humbeeck, J.
Title Nano- and microcrystal investigations of precipitates, interfaces and strain fields in Ni-Ti-Nb by various TEM techniques Type P1 Proceeding
Year 2013 Publication Materials science forum T2 – 9th European Symposium on Martensitic Transformations (ESOMAT 2012), SEP 09-16, 2012, St Petersburg, RUSSIA Abbreviated Journal
Volume 738/739 Issue Pages 65-71
Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
Abstract In the present contribution several advanced electron microscopy techniques are employed in order to describe chemical and structural features of the nano- and microstructure of a Ni45.5Ti45.5Nb9 alloy. A line-up of Nb-rich nano-precipitates is found in the Ni-Ti-rich austenite of as-cast material. Concentration changes of the matrix after annealing are correlated with changes in the transformation temperatures. The formation of rows and plates of larger Nb-rich precipitates and particles is described. The interaction of a twinned martensite plate with a Nb-rich nano-precipitate is discussed and the substitution of Nb atoms on the Ti-sublattice in the matrix is confirmed.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000316089000011 Publication Date 2013-03-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1662-9752; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes Fwo Approved Most recent IF: NA
Call Number (down) UA @ lucian @ c:irua:104692 Serial 2247
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Author Wang, X.; Amin-Ahmadi, B.; Schryvers, D.; Verlinden, B.; Van Humbeeck, J.
Title Effect of annealing on the transformation behavior and mechanical properties of two nanostructured Ti-50.8at.%Ni thin wires produced by different methods Type A1 Journal article
Year 2013 Publication Materials science forum Abbreviated Journal
Volume 738/739 Issue Pages 306-310
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A Ti-50.8at.%Ni wire produced using a co-drawing method and a commercial Ti-50.8at.%Ni wire were annealed at different temperatures between 450°C and 700°C. Grains with diameter less than 100nm were revealed by transmission electron microscopy for both wires before annealing treatment. However, the microstructural heterogeneity of the co-drawn wire is more obvious than that of the commercial wire. Multi-stage martensitic transformation was observed in the co-drawn wire, compared with the one-stage A↔M transformation in the commercial wire after annealing at 600°C for 30min. The differences of total elongation, plateau strain and pseudoelastic recoverable strain between the commercial wire and the co-drawn wire were also observed. The differences of the transformation behavior and mechanical properties between the commercial wire and the co-drawn wire are attributed to the microstructural difference between these two wires.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000316089000055 Publication Date 2013-03-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1662-9752; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 5 Open Access
Notes Approved Most recent IF: NA
Call Number (down) UA @ lucian @ c:irua:104691 Serial 798
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Author Shi, H.; Frenzel, J.; Schryvers, D.
Title EM characterization of precipitates in as-cast and annealed Ni45.5Ti45.5Nb9 shape memory alloys Type P1 Proceeding
Year 2013 Publication Materials science forum Abbreviated Journal
Volume 738/739 Issue Pages 113-117
Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
Abstract Nb-rich precipitates in the matrix of as-cast and annealed Ni45.5Ti45.5Nb9 alloys are investigated by scanning and scanning transmission electron microscopy, including slice-and-view and geometric phase analysis (GPA). The Nb-rich bcc nano-precipitates in the as-cast alloy have a 10% lattice parameter difference with the B2 matrix and reveal compensating interface dislocations. The 3D reconstruction of the configuration of small Nb-rich precipitates in the annealed alloy reveals a wall-like distribution of precipitates, which may increase the thermal hysteresis of the material.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000316089000020 Publication Date 2013-03-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1662-9752; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes Fwo Approved Most recent IF: NA
Call Number (down) UA @ lucian @ c:irua:104690 Serial 1028
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Author Khalilov, U.; Pourtois, G.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C.
Title Reactive molecular dynamics simulations on SiO2-coated ultra-small Si-nanowires Type A1 Journal article
Year 2013 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 5 Issue 2 Pages 719-725
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The application of coreshell SiSiO2 nanowires as nanoelectronic devices strongly depends on their structure, which is difficult to tune precisely. In this work, we investigate the formation of the coreshell nanowires at the atomic scale, by reactive molecular dynamics simulations. The occurrence of two temperature-dependent oxidation mechanisms of ultra-small diameter Si-NWs is demonstrated. We found that control over the Si-core radius and the SiOx (x ≤ 2) oxide shell is possible by tuning the growth temperature and the initial Si-NW diameter. Two different structures were obtained, i.e., ultrathin SiO2 silica nanowires at high temperature and Si core|ultrathin SiO2 silica nanowires at low temperature. The transition temperature is found to linearly decrease with the nanowire curvature. Finally, the interfacial stress is found to be responsible for self-limiting oxidation, depending on both the initial Si-NW radius and the oxide growth temperature. These novel insights allow us to gain control over the exact morphology and structure of the wires, as is needed for their application in nanoelectronics.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000313426200036 Publication Date 2012-11-16
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 17 Open Access
Notes Approved Most recent IF: 7.367; 2013 IF: 6.739
Call Number (down) UA @ lucian @ c:irua:102584 Serial 2824
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Author Zhao, S.-X.; Gao, F.; Wang, Y.-N.; Bogaerts, A.
Title Gas ratio effects on the Si etch rate and profile uniformity in an inductively coupled Ar/CF4 plasma Type A1 Journal article
Year 2013 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
Volume 22 Issue 1 Pages 015017-15018
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this work, a hybrid model is used to investigate the effect of different gas ratios on the Si etching and polymer film deposition characteristics in an Ar/CF4 inductively coupled plasma. The influence of the surface processes on the bulk plasma properties is studied, and also the spatial characteristics of important gas phase and etched species. The densities of F and CF2 decrease when the surface module is included in the simulations, due to the species consumption caused by etching and polymer deposition. The influence of the surface processes on the bulk plasma depends on the Ar/CF4 gas ratio. The deposited polymer becomes thicker at high CF4 content because of more abundant CFx radicals. As a result of the competition between the polymer thickness and the F flux, the etch rate first increases and then decreases upon increasing the CF4 content. The electron properties, more specifically the electron density profile, affect the Si etch characteristics substantially by determining the radical density and flux profiles. In fact, the radial profile of the etch rate is more uniform at low CF4 content since the electron density has a smooth distribution. At high CF4 content, the etch rate is less uniform with a minimum halfway along the wafer radius, because the electron density distribution is more localized. Therefore, our calculations predict that it is better to work at relatively high Ar/CF4 gas ratios, in order to obtain high etch rate and good profile uniformity for etch applications. This, in fact, corresponds to the typical experimental etch conditions in Ar/CF4 gas mixtures as found in the literature, where Ar is typically present at a much higher concentration than CF4.
Address
Corporate Author Thesis
Publisher Institute of Physics Place of Publication Bristol Editor
Language Wos 000314966300022 Publication Date 2012-12-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0963-0252;1361-6595; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 11 Open Access
Notes Approved Most recent IF: 3.302; 2013 IF: 3.056
Call Number (down) UA @ lucian @ c:irua:102583 Serial 1320
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Author Saniz, R.; Xu, Y.; Matsubara, M.; Amini, M.N.; Dixit, H.; Lamoen, D.; Partoens, B.
Title A simplified approach to the band gap correction of defect formation energies : Al, Ga, and In-doped ZnO Type A1 Journal article
Year 2013 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
Volume 74 Issue 1 Pages 45-50
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract The calculation of defect levels in semiconductors within a density functional theory approach suffers greatly from the band gap problem. We propose a band gap correction scheme that is based on the separation of energy differences in electron addition and relaxation energies. We show that it can predict defect levels with a reasonable accuracy, particularly in the case of defects with conduction band character, and yet is simple and computationally economical. We apply this method to ZnO doped with group III elements (Al, Ga, In). As expected from experiment, the results indicate that Zn substitutional doping is preferred over interstitial doping in Al, Ga, and In-doped ZnO, under both zinc-rich and oxygen-rich conditions. Further, all three dopants act as shallow donors, with the +1 charge state having the most advantageous formation energy. Also, doping effects on the electronic structure of ZnO are sufficiently mild so as to affect little the fundamental band gap and lowest conduction bands dispersion, which secures their n-type transparent conducting behavior. A comparison with the extrapolation method based on LDA+U calculations and with the HeydScuseriaErnzerhof hybrid functional (HSE) shows the reliability of the proposed scheme in predicting the thermodynamic transition levels in shallow donor systems.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000311062500009 Publication Date 2012-08-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3697; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.059 Times cited 36 Open Access
Notes Fwo; Bof-Nio Approved Most recent IF: 2.059; 2013 IF: 1.594
Call Number (down) UA @ lucian @ c:irua:101782 Serial 3004
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Author Li, M.R.; Retuerto, M.; Bok Go, Y.; Emge, T.J.; Croft, M.; Ignatov, A.; Ramanujachary, K.V.; Dachraoui, W.; Hadermann, J.; Tang, M.B.; Zhao, J.T.; Greenblatt, M.;
Title Synthesis, crystal structure, and properties of KSbO3-type Bi3Mn1.9Te1.1O11 Type A1 Journal article
Year 2013 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 197 Issue Pages 543-549
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Single crystals of Bi3Mn1.9Te1.1O11 were prepared from NaCl+KCl flux. This compound adopts KSbO3-type crystal structure as evidenced by electron and single crystal X-ray diffraction analysis. The three-dimensional channel structure is formed by corner-sharing octahedral (Mn0.63Te0.37)2O10 dimers and two identical (Bi1)4(Bi2)2 interpenetrating lattices. The intra-dimer Mn/TeMn/Te distances in Bi3Mn1.9Te1.1O11 are short and are consistent with weak metalmetal interactions. The mixed oxidation state of manganese and the edge-sharing octahedral features are confirmed by X-ray near edge absorption spectroscopy measurements, which indicate Bi3(MnIII1.1MnIV0.8)TeVI1.1O11 with 57.7% Mn3+ and 42.3% Mn4+. The partial substitution of Te for Mn perturbs long-range magnetic interactions, thereby destroying the ferromagnetic ordering found in Bi3Mn3O11 (TC=150 K).
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000312281000076 Publication Date 2012-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 13 Open Access
Notes Approved Most recent IF: 2.299; 2013 IF: 2.200
Call Number (down) UA @ lucian @ c:irua:101779 Serial 3452
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Author Evers, W.H.; Goris, B.; Bals, S.; Casavola, M.; de Graaf, J.; van Roij, R.; Dijkstra, M.; Vanmaekelbergh, D.
Title Low-dimensional semiconductor superlattices formed by geometric control over nanocrystal attachment Type A1 Journal article
Year 2013 Publication Nano letters Abbreviated Journal Nano Lett
Volume 13 Issue 6 Pages 2317-2323
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Oriented attachment, the process in which nanometer-sized crystals fuse by atomic bonding of specific crystal facets, is expected to be more difficult to control than nanocrystal self-assembly that is driven by entropic factors or weak van der Waals attractions. Here, we present a study of oriented attachment of PbSe nanocrystals that counteract this tuition. The reaction was studied in a thin film of the suspension casted on an immiscible liquid at a given temperature. We report that attachment can be controlled such that it occurs with one type of facets exclusively. By control of the temperature and particle concentration we obtain one- or two-dimensional PbSe single crystals, the latter with a honeycomb or square superimposed periodicity in the nanometer range. We demonstrate the ability to convert these PbSe superstructures into other semiconductor compounds with the preservation of crystallinity and geometry.
Address
Corporate Author Thesis
Publisher Place of Publication Washington Editor
Language Wos 000320485100001 Publication Date 2012-10-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.712 Times cited 206 Open Access
Notes 262348 ESMI; Hercules 3 Approved Most recent IF: 12.712; 2013 IF: 12.940
Call Number (down) UA @ lucian @ c:irua:101777 Serial 1847
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Author Altantzis, T.; Goris, B.; Sánchez-Iglesias, A.; Grzelczak, M.; Liz-Marzán, L.M.; Bals, S.
Title Quantitative structure determination of large three-dimensional nanoparticle assemblies Type A1 Journal article
Year 2013 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 30 Issue 1 Pages 84-88
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Thumbnail image of graphical abstract To investigate nanoassemblies in three dimensions, electron tomography is an important tool. For large nanoassemblies, it is not straightforward to obtain quantitative results in three dimensions. An optimized acquisition technique, incoherent bright field scanning transmission electron microscopy, is combined with an advanced 3D reconstruction algorithm. The approach is applied to quantitatively analyze large nanoassemblies in three dimensions.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000310806000008 Publication Date 2012-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.474 Times cited 23 Open Access
Notes Goa; Fwo; 267867 Plasmaquo; 262348 Esmi Approved Most recent IF: 4.474; 2013 IF: 0.537
Call Number (down) UA @ lucian @ c:irua:101776 Serial 2763
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Author Herregods, S.J.F.; Mertens, M.; Van Havenbergh, K.; Van Tendeloo, G.; Cool, P.; Buekenhoudt, A.; Meynen, V.
Title Controlling pore size and uniformity of mesoporous titania by early stage low temperature stabilization Type A1 Journal article
Year 2013 Publication Journal of colloid and interface science Abbreviated Journal J Colloid Interf Sci
Volume 391 Issue Pages 36-44
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract The control of the formation process during and after self-assembly is of utmost importance to achieve well structured, controlled template-assisted mesoporous titania materials with the desired properties for various applications via the evaporation induced self-assembly method (EISA). The present paper reports on the large influence of the thermal stabilization and successive template removal on the pore structure of a mesostructured TiO2 material using the diblock copolymer Brij 58 as surfactant. A controlled thermal stabilization (temperature and duration) allows one to tailor the final pore size and uniformity much more precise by influencing the self-assembly of the template. Moreover, also the successive thermal template removal needs to be controlled in order to avoid a structural collapse. N2-sorption, TGA, TEM, FT-Raman spectroscopy, and small angle wide angle XRD have been used to follow the crystal growth and mesostructure organization after thermal stabilization and after thermal template removal, revealing its effect on the final pore structure.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000312039000006 Publication Date 2012-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9797; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.233 Times cited 12 Open Access
Notes Approved Most recent IF: 4.233; 2013 IF: 3.552
Call Number (down) UA @ lucian @ c:irua:101757 Serial 506
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Author Sels, D.; Brosens, F.; Magnus, W.
Title Wigner distribution functions for complex dynamical systems : a path integral approach Type A1 Journal article
Year 2013 Publication Physica: A : theoretical and statistical physics Abbreviated Journal Physica A
Volume 392 Issue 2 Pages 326-335
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract Starting from Feynmans Lagrangian description of quantum mechanics, we propose a method to construct explicitly the propagator for the Wigner distribution function of a single system. For general quadratic Lagrangians, only the classical phase space trajectory is found to contribute to the propagator. Inspired by Feynmans and Vernons influence functional theory we extend the method to calculate the propagator for the reduced Wigner function of a system of interest coupled to an external system. Explicit expressions are obtained when the external system consists of a set of independent harmonic oscillators. As an example we calculate the propagator for the reduced Wigner function associated with the CaldeiraLegett model.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000311135200004 Publication Date 2012-09-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0378-4371; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.243 Times cited 9 Open Access
Notes ; ; Approved Most recent IF: 2.243; 2013 IF: 1.722
Call Number (down) UA @ lucian @ c:irua:101414 Serial 3921
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Author Schryvers, D.; Van Aert, S.; Delville, R.; Idrissi, H.; Turner, S.; Salje, E.K.H.
Title Dedicated TEM on domain boundaries from phase transformations and crystal growth Type A1 Journal article
Year 2013 Publication Phase transitions Abbreviated Journal Phase Transit
Volume 86 Issue 1 Pages 15-22
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Investigating domain boundaries and their effects on the behaviour of materials automatically implies the need for detailed knowledge on the structural aspects of the atomic configurations at these interfaces. Not only in view of nearest neighbour interactions but also at a larger scale, often surpassing the unit cell, the boundaries can contain structural elements that do not exist in the bulk. In the present contribution, a number of special boundaries resulting from phase transformations or crystal growth and those recently investigated by advanced transmission electron microscopy techniques in different systems will be reviewed. These include macrotwins between microtwinned martensite plates in NiAl, austenite-single variant martensite habit planes in low hysteresis NiTiPd, nanotwins in non-textured nanostructured Pd and ferroelastic domain boundaries in CaTiO3. In all discussed cases these boundaries play an essential role in the properties of the respective materials.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000312586700003 Publication Date 2012-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0141-1594;1029-0338; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.06 Times cited Open Access
Notes Fwo; Iap Approved Most recent IF: 1.06; 2013 IF: 1.044
Call Number (down) UA @ lucian @ c:irua:101222 Serial 612
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Author Goris, B.; Roelandts, T.; Batenburg, K.J.; Heidari Mezerji, H.; Bals, S.
Title Advanced reconstruction algorithms for electron tomography : from comparison to combination Type A1 Journal article
Year 2013 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 127 Issue Pages 40-47
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract In this work, the simultaneous iterative reconstruction technique (SIRT), the total variation minimization (TVM) reconstruction technique and the discrete algebraic reconstruction technique (DART) for electron tomography are compared and the advantages and disadvantages are discussed. Furthermore, we describe how the result of a three dimensional (3D) reconstruction based on TVM can provide objective information that is needed as the input for a DART reconstruction. This approach results in a tomographic reconstruction of which the segmentation is carried out in an objective manner.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000316659100007 Publication Date 2012-08-02
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 63 Open Access
Notes Fwo Approved Most recent IF: 2.843; 2013 IF: 2.745
Call Number (down) UA @ lucian @ c:irua:101217 Serial 72
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Author Leyva Pernia, D.; Cabal Rodríguez, A.E.; Schalm, O.; van Espen, P.; Piñera Hernández, I.; Abreu Alfonso, Y.
Title Study of the main physical processes contributing to image formation in emission radiography using mathematical modeling Type P3 Proceeding
Year 2013 Publication Abbreviated Journal
Volume Issue Pages
Keywords P3 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
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 978-959-7136-98-9 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number (down) UA @ admin @ c:irua:135412 Serial 8607
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Author Van Slycken, S.; Witters, N.; Meers, E.; Peene, A.; Michels, E.; Adriaensen, K.; Ruttens, A.; Vangronsveld, J.; Du Laing, G.; Wierinck, I.; Van Dael, M.; Van Passel, S.; Tack, F.M.G.
Title Safe use of metal-contaminated agricultural land by cultivation of energy maize (Zea mays) Type A1 Journal article
Year 2013 Publication Environmental Pollution Abbreviated Journal Environ Pollut
Volume 178 Issue Pages 375-380
Keywords A1 Journal article; Economics
Abstract Production of food crops on trace element-contaminated agricultural lands in the Campine region (Belgium) can be problematic as legal threshold values for safe use of these crops can be exceeded. Conventional sanitation of vast areas is too expensive and alternatives need to be investigated. Zea mays on a trace element-contaminated soil in the region showed an average yield of 53 ± 10 Mg fresh or 20 ± 3 Mg dry biomass ha−1. Whole plant Cd concentrations complied with legal threshold values for animal feed. Moreover, threshold values for use in anaerobic digestion were met. Biogas production potential did not differ between maize grown on contaminated and non-contaminated soils. Results suggested favorable perspectives for farmers to generate non-food crops profitably, although effective soil cleaning would be very slow. This demonstrates that a valuable and sustainable alternative use can be generated for moderately contaminated soils on which conventional agriculture is impaired.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000320487700050 Publication Date 2013-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0269-7491 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.099 Times cited 30 Open Access
Notes ; This research was funded by the Institute for the promotion of Innovation by Science and Technology in Flanders (IWT-Flanders, Grant IWT/CLO/50702). We want to thank OVAM, as the planting and management of this site is part of a demonstration project in the context of the INTERREG-project BENEKEMPEN. Also many thanks to laboratory staff of the departments and to Pioneer and KWS for providing the seeds. ; Approved Most recent IF: 5.099; 2013 IF: 3.902
Call Number (down) UA @ admin @ c:irua:129870 Serial 6247
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Author Compernolle, T.; Van Passel, S.; Lebbe, L.
Title 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 (down) UA @ admin @ c:irua:129868 Serial 6162
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Author Compernolle, T.; Van Passel, S.; Lebbe, L.
Title The value of groundwater modeling to support a pump and treat design Type A1 Journal article
Year 2013 Publication Groundwater monitoring & remediation Abbreviated Journal
Volume 33 Issue 3 Pages 111-118
Keywords A1 Journal article; Economics
Abstract A wide range of rules, algorithms, and models are available to design an effective pump and treat remediation system. Often, one refers to the effectiveness of the developed pump and treat system to demonstrate how valuable the use of a groundwater model can be. An economic valuation of the groundwater model is usually missing. This study provides a framework that puts the discussion concerning the use of groundwater models in an economic perspective. It is not only demonstrated that a more effective pump and treat system can be designed using a groundwater model, but also the economic implications of using a groundwater model are calculated. A set of economic decision rules is applied to determine the economic value of a groundwater model. It is shown that investing in a groundwater model can be economically worthwhile. The remediation time is reduced, remediation costs are saved and the property can be sold more early. These benefits outweigh the costs of developing a groundwater model, and hence a positive net benefit (NB) is determined.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2018-03-05
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 (down) UA @ admin @ c:irua:129867 Serial 6277
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Author Van Passel, S.
Title Food miles to assess sustainability : a revision Type A1 Journal article
Year 2013 Publication Sustainable Development Abbreviated Journal Sustain Dev
Volume 21 Issue 1 Pages 1-17
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract Sustainability assessment is an essential process in our aim to reach a more sustainable production and consumption pattern. This research revises the food miles concept as a guiding tool to assess sustainability. Food miles measure the distance that food travels from where it is grown or raised to where it is consumed. Three different concepts to assess sustainability are described: (i) food miles, (ii) enhanced food miles, (iii) food chain sustainability. An illustrative case study shows that there is a strong danger of oversimplification when using food miles as an assessment tool. Second, the food miles concept can be enhanced with all relevant transport externalities taking into account different transport modes and transport (in)efficiency. Third, all relevant economic, social, and ecological aspects should be taken into account. Besides transport externalities, also externalities caused by food production, food packaging, food marketing, and food consumption should be incorporated. Moreover, the trade-off with development goals cannot be neglected. As a consequence, there is a strong danger of incommensurability as the result of different sustainability model assumptions and unclear system boundaries. Nevertheless, sustainability assessment can enrich policy making and support tailored policy measures to improve food chain sustainability. Copyright (c) 2010 John Wiley & Sons, Ltd and ERP Environment.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000314187900001 Publication Date 2010-07-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0968-0802 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.167 Times cited 17 Open Access
Notes ; ; Approved Most recent IF: 2.167; 2013 IF: 1.692
Call Number (down) UA @ admin @ c:irua:127553 Serial 6204
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