NANOlab Center of Excellence literature database -- Query Results

	NANOlab Center of Excellence literature database Home \| Show All \| Simple Search \| Advanced Search	Login Quick Search: Field: contains: ...
	391–420 of 429 records found matching your query (RSS):

Select All Deselect All

<< 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 >>

List View

Citations

Details

	Records
	Author	Dabaghmanesh, S.
	Title	Atomistic modeling of the structural and electronic properties of Cr-based oxides and their potential application as TCO materials			Type	Doctoral thesis
	Year	2017	Publication		Abbreviated Journal
	Volume		Issue		Pages
	Keywords	Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Antwerpen	Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:146070			Serial	4738
Permanent link to this record



	Author	Khalilov, U.; Bogaerts, A.; Neyts, E.C.
	Title	Atomic-scale mechanisms of plasma-assisted elimination of nascent base-grown carbon nanotubes			Type	A1 Journal article
	Year	2017	Publication	Carbon	Abbreviated Journal	Carbon
	Volume	118	Issue	118	Pages	452-457
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Selective etching allows for obtaining carbon nanotubes with a specific chirality. While plasma-assisted etching has already been used to separate metallic tubes from their semiconducting counterparts, little is known about the nanoscale mechanisms of the etching process. We combine (reactive) molecular dynamics (MD) and force-bias Monte Carlo (tfMC) simulations to study H-etching of CNTs. In particular, during the hydrogenation and subsequent etching of both the carbon cap and the tube, they sequentially transform to different carbon nanostructures, including carbon nanosheet, nanowall, and polyyne chains, before they are completely removed from the surface of a substrate-bound Ni-nanocluster.We also found that onset of the etching process is different in the cases of the cap and the tube, although the overall etching scenario is similar in both cases. The entire hydrogenation/etching process for both cases is analysed in detail, comparing with available theoretical and experimental evidences.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000401120800053	Publication Date	2017-03-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0008-6223	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.337	Times cited	2	Open Access	OpenAccess
	Notes	U. K. gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), Belgium (Grant No. 12M1315N). The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. The authors also thank Prof. A. C. T. van Duin for sharing the ReaxFF code.			Approved	Most recent IF: 6.337
	Call Number	PLASMANT @ plasmant @ c:irua:141915			Serial	4531
Permanent link to this record



	Author	Verlackt, C.C.W.; Neyts, E.C.; Bogaerts, A.
	Title	Atomic scale behavior of oxygen-based radicals in water			Type	A1 Journal article
	Year	2017	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	50	Issue	50	Pages	11LT01
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Cold atmospheric pressure plasmas in and in contact with liquids represent a growing field of research for various applications. Understanding the interactions between the plasma generated species and the liquid is crucial. In this work we perform molecular dynamics (MD) simulations based on a quantum mechanical method, i.e. density-functional based tight-binding (DFTB), to examine the interactions of OH radicals and O atoms in bulk water. Our calculations reveal that the transport of OH radicals through water is not only governed by diffusion, but also by an equilibrium reaction of H-abstraction with water molecules. Furthermore, when two OH radicals encounter each other, they either form a stable cluster, or react, resulting in the formation of a new water molecule and an O atom. In addition, the O atoms form either oxywater (when in singlet configuration) or they remain stable in solution (when in triplet configuration), stressing the important role that O atoms can play in aqueous solution, and in contact with biomolecules. Our observations are in line with both experimental and ab initio results from the literature.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000415252400001	Publication Date	2017-02-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3727	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.588	Times cited	11	Open Access	OpenAccess
	Notes	The authors thank Peter Bruggeman (University of Minnesota, USA) and Jan Benedikt (Ruhr-Universität Bochum, Germany) for the interesting discussions regarding the existence of O in aqueous solutions. Furthermore, they acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (project number G012413N). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen.			Approved	Most recent IF: 2.588
	Call Number	PLASMANT @ plasmant @ c:irua:140845			Serial	4420
Permanent link to this record



	Author	De Baere, K.; Verstraelen, H.; Willemen, R.; Smet, J.-P.; Tchuindjang, J.T.; Lecomte-Beckers, J.; Lenaerts, S.; Meskens, R.; Jung, H.G.; Potters, G.
	Title	Assessment of corrosion resistance, material properties, and weldability of alloyed steel for ballast tanks			Type	A1 Journal article
	Year	2017	Publication	Journal of marine science and technology	Abbreviated Journal	J Mar Sci Tech-Japan
	Volume	22	Issue	1	Pages	176-199
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Ballast tanks are of great importance in the lifetime of modern merchant ships. Making a ballast tank less susceptible to corrosion can, therefore, prolong the useful life of a ship and, thereby, lower its operational cost. An option to reinforce a ballast tank is to construct it out of a corrosion-resistant steel type. Such steel was recently produced by POSCO Ltd., South Korea. After 6 months of permanent immersion, the average corrosion rate of A and AH steel (31 samples) was 535 g m(-2) year(-1), while the Korean CRS was corroding with 378 g m(-2) year(-1). This entails a gain of 29 %. Follow-up measurements after 10, 20, and 24 months confirmed this. The results after 6 months exposure to alternating wet/dry conditions are even more explicit. Furthermore, the physical and metallurgical properties of this steel show a density of 7.646 t/m(3), the elasticity modulus 209.3 GPa, the tensile strength 572 MPa, and the hardness 169HV10. Microscopically, the metal consists of equiaxed and recrystallized grains (ferrite and pearlite), with an average size of between 20 and 30 A mu m (ASTM E 112-12 grain size number between 7 and 8) with a few elongated pearlitic grains. The structure is banded ferrite/pearlite. On the basis of a series of energy dispersive X-ray spectrometer measurements the lower corrosion rate of the steel can be attributed to the interplay of Al, Cr, their oxides, and the corroding steel. In addition, the role of each element in the formation of oxide layers and the mechanisms contributing to the corrosion resistance are discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000395006400015	Publication Date	2016-07-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0948-4280	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.838	Times cited	3	Open Access
	Notes	; This paper is published with the explicit permission of POSCO Ltd., original source of the corrosion resistant steel. Due to the creativity of the POSCO engineers and scientists, we could have our challenge, presented in this manuscript. The authors wish to thank the BOF funding received from the University of Antwerp and the Maritime Academy. We also wish to express our gratitude towards to the American Bureau of Shipping for their assistance in procuring the CRS plates, their moral and financial support, as well as to OCAS (Arcelor Mittal, Zelzate, Belgium) for their assistance in a number of measurements. ;			Approved	Most recent IF: 0.838
	Call Number	UA @ admin @ c:irua:142509			Serial	5928
Permanent link to this record



	Author	van Loon, A.; Noble, P.; Krekeler, A.; van der Snickt, G.; Janssens, K.; Abe, Y.; Nakai, I.; Dik, J.
	Title	Artificial orpiment, a new pigment in Rembrandt's palette			Type	A1 Journal article
	Year	2017	Publication	Heritage science	Abbreviated Journal
	Volume	5	Issue		Pages	26
	Keywords	A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	This paper reports on how the application of macro X-ray fluorescence (MA-XRF) imaging, in combination with the re-examination of existing paint cross-sections, has led to the discovery of a new pigment in Rembrandt's palette: artificial orpiment. In the NWO Science4Arts 'ReVisRembrandt' project, novel chemical imaging techniques are being developed and applied to the study of Rembrandt's late paintings in order to help resolve outstanding questions and to gain a better understanding of his late enigmatic painting technique. One of the selected case studies is the Portrait of a Couple as Isaac and Rebecca, known as 'The Jewish Bride', dated c. 1665 and on view in the Rijksmuseum. During the re-installation of the Rijksmuseum in 2013, the picture was scanned using the Bruker M6 Jetstream MAXRF scanner. The resulting elemental distribution maps made it possible to distinguish many features in the painting, such as bone black remains of the original hat (P, Ca maps), and the now discolored smalt-rich background (Co, Ni, As, K maps). The arsenic (As) map also revealed areas of high-intensity in Isaac's sleeve and Rebecca's dress where it could be established that it was not related with the pigment smalt that also contains arsenic. This pointed to the presence of a yellow or orange arsenic-containing pigment, such as realgar or orpiment that is not associated with the artist's palette. Subsequent examination of existing paint cross-sections from these locations taken by Karin Groen in the 1990s identified isolated, almost perfectly round particles of arsenic sulfide. The round shape corresponds with published findings on a purified form of artificial orpiment glass obtained by dry processing, a sublimation reaction. In bright field, the particles characteristically exhibit a dark cross in the middle caused by internal light reflections. The results of additional non-invasive techniques (portable XRD and portable Raman) are discussed, as well as the implications of this finding and how it fits with Rembrandt's late experimental painting technique.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000404916400001	Publication Date	2017-06-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7445	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	6	Open Access
	Notes	; This research is part of the Science4Arts Program, funded by the Netherlands Organization for Scientific Research (NWO) (Grant No. SFA-11-12). GVdS is supported by the Baillet Latour Fund. The authors would like to thank Lisette Vos, Rijksmuseum Amsterdam, for assisting with the MA-XRF scanning; Arisa Izumi and Airi Hirayama, students of the Tokyo University of Science, and Frederik Vanmeert, University of Antwerp, for assisting with the pXRD and pRaman measurements. We are also grateful to Rob Erdmann, Rijksmuseum Amsterdam, who made the curtain viewer to facilitate comparison of the visible image with the elemental distribution maps of the painting. ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:144864			Serial	5479
Permanent link to this record



	Author	Yang, W.; Misko, V.R.; Tempère, J.; Kong, M.; Peeters, F.M.
	Title	Artificial living crystals in confined environment			Type	A1 Journal article
	Year	2017	Publication	Physical Review E	Abbreviated Journal	Phys Rev E
	Volume	95	Issue	6	Pages	062602
	Keywords	A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
	Abstract	Similar to the spontaneous formation of colonies of bacteria, flocks of birds, or schools of fish, “living crystals” can be formed by artificial self-propelled particles such as Janus colloids. Unlike usual solids, these “crystals” are far from thermodynamic equilibrium. They fluctuate in time forming a crystalline structure, breaking apart and re-forming again. We propose a method to stabilize living crystals by applying a weak confinement potential that does not suppress the ability of the particles to perform self-propelled motion, but it stabilizes the structure and shape of the dynamical clusters. This gives rise to such configurations of living crystals as “living shells” formed by Janus colloids. Moreover, the shape of the stable living clusters can be controlled by tuning the potential strength. Our proposal can be verified experimentally with either artificial microswimmers such as Janus colloids, or with living active matter.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000402667600006	Publication Date	2017-06-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2470-0045;2470-0053;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.366	Times cited	10	Open Access
	Notes	; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Research Foundation (FWO-Vl) (Belgium), the Flemish Research Foundation (through Projects No. G.0115.12N, No. G.0119.12N, No. G.0122.12N, and No. G.0429.15N), and the Research Fund of the University of Antwerp. W.Y. acknowledges the support from the National Natural Science Foundation of China under Grants No. 11204199 and No. 51135007, the China Scholarship Council, the 131 project and the Program for the Outstanding Innovative Teams of Higher Learning Institutions of Shanxi, and a project under Grant No. 2016-096 by Shanxi Scholarship Council of China. ;			Approved	Most recent IF: 2.366
	Call Number	UA @ lucian @ c:irua:144205			Serial	4641
Permanent link to this record



	Author	Sentosun, K.; Lobato, I.; Bladt, E.; Zhang, Y.; Palenstijn, W.J.; Batenburg, K.J.; Van Dyck, D.; Bals, S.
	Title	Artifact Reduction Based on Sinogram Interpolation for the 3D Reconstruction of Nanoparticles Using Electron Tomography			Type	A1 Journal article
	Year	2017	Publication	Particle and particle systems characterization	Abbreviated Journal	Part. Part. Syst. Charact.
	Volume	34	Issue	34	Pages	1700287
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	Electron tomography is a well-known technique providing a 3D characterization of the morphology and chemical composition of nanoparticles. However, several reasons hamper the acquisition of tilt series with a large number of projection images, which deteriorate the quality of the 3D reconstruction. Here, an inpainting method that is based on sinogram interpolation is proposed, which enables one to reduce artifacts in the reconstruction related to a limited tilt series of projection images. The advantages of the approach will be demonstrated for the 3D characterization of nanoparticles using phantoms and several case studies.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000418416100005	Publication Date	2017-10-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1521-4117	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	2	Open Access	OpenAccess
	Notes	K.S. and S.B. acknowledge support from the Fund for Scientific ResearchFlanders (FWO) (G019014N and G021814N). S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). Y.Z. acknowledges financial support from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 665501 through a FWO [PEGASUS]2 Marie Skłodowska-Curie fellowship (12U4917N). The authors would like to thank Prof. Luis Liz-Marzán for provision of the samples. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara;			Approved	Most recent IF: NA
	Call Number	EMAT @ emat @c:irua:147857UA @ admin @ c:irua:147857			Serial	4798
Permanent link to this record



	Author	Perez, A.J.; Jacquet, Q.; Batuk, D.; Iadecola, A.; Saubanere, M.; Rousse, G.; Larcher, D.; Vezin, H.; Doublet, M.-L.; Tarascon, J.-M.
	Title	Approaching the limits of cationic and anionic electrochemical activity with the Li-rich layered rocksalt Li3IrO4			Type	A1 Journal article
	Year	2017	Publication	Nature energy	Abbreviated Journal	Nat Energy
	Volume	2	Issue	12	Pages	954-962
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The Li-rich rocksalt oxides Li2MO3 (M = 3d/4d/5d transition metal) are promising positive-electrode materials for Li-ion batteries, displaying capacities exceeding 300 mAh g(-1) thanks to the participation of the oxygen non-bonding O(2p) orbitals in the redox process. Understanding the oxygen redox limitations and the role of the O/M ratio is therefore crucial for the rational design of materials with improved electrochemical performances. Here we push oxygen redox to its limits with the discovery of a Li3IrO4 compound (O/M = 4) that can reversibly take up and release 3.5 electrons per Ir and possesses the highest capacity ever reported for any positive insertion electrode. By quantitatively monitoring the oxidation process, we demonstrate the material's instability against O-2 release on removal of all Li. Our results show that the O/M parameter delineates the boundary between the material's maximum capacity and its stability, hence providing valuable insights for further development of high-capacity materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000430218300001	Publication Date	2017-12-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2058-7546	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	55	Open Access	Not_Open_Access
	Notes	; We thank P. Pearce for providing the beta-Li<INF>2</INF>IrO<INF>3</INF> and L. Lemarquis for helping in the DEMS experiment. We are particularly grateful to S. Belin, V. Briois and L. Stievano for helpful discussions on XAS analysis and synchrotron SOLEIL (France) for providing beamtime at the ROCK beamline (financed by the French National Research Agency (ANR) as part of the 'Investissements d'Avenir' programme, reference: ANR-10-EQPX-45). A.J.P and A. I. acknowledge the GdR C(RS) 2 for the workshop organized on a chemometric approach for XAS data analysis. V. Nassif is acknowledged for her help during neutron diffraction experiments performed at Institut Laue Langevin on D1B. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the US Department of Energy under contract No. DE-AC02-06CH11357 and is gratefully acknowledged. This work has been performed with the support of the European Research Council (ERC) (FP/2014)/ERC Grant- Project 670116 ARPEMA. ;			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:150926			Serial	4962
Permanent link to this record



	Author	Wang, D.; Liu, Y.; Ngo, H.H.; Zhang, C.; Yang, Q.; Peng, L.; He, D.; Zeng, G.; Li, X.; Ni, B.-J.
	Title	Approach of describing dynamic production of volatile fatty acids from sludge alkaline fermentation			Type	A1 Journal article
	Year	2017	Publication	Bioresource technology	Abbreviated Journal
	Volume	238	Issue		Pages	343-351
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	In this work, a mathematical model was developed to describe the dynamics of fermentation products in sludge alkaline fermentation systems for the first time. In this model, the impacts of alkaline fermentation on sludge disintegration, hydrolysis, acidogenesis, acetogenesis, and methanogenesis processes are specifically considered for describing the high-level formation of fermentation products. The model proposed successfully reproduced the experimental data obtained from five independent sludge alkaline fermentation studies. The modeling results showed that alkaline fermentation largely facilitated the disintegration, acidogenesis, and acetogenesis processes and severely inhibited methanogenesis process. With the pH increase from 7.0 to 10.0, the disintegration, acidogenesis, and acetogenesis processes respectively increased by 53%, 1030%, and 30% while methane production decreased by 3800%.However, no substantial effect on hydrolysis process was found. The model also indicated that the pathway of acetoclastic methanogenesis was more severely inhibited by alkaline condition than that of hydrogentrophic methanogenesis. (C) 2017 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000402485500042	Publication Date	2017-04-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0960-8524	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:144155			Serial	7489
Permanent link to this record



	Author	Callewaert, V.; Saniz, R.; Barbiellini, B.; Bansil, A.; Partoens, B.
	Title	Application of the weighted-density approximation to the accurate description of electron-positron correlation effects in materials			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	96	Issue	8	Pages	085135
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We discuss positron-annihilation lifetimes for a set of illustrative bulk materials within the framework of the weighted-density approximation (WDA). The WDA can correctly describe electron-positron correlations in strongly inhomogeneous systems, such as surfaces, where the applicability of (semi-)local approximations is limited. We analyze the WDA in detail and show that the electrons which cannot screen external charges efficiently, such as the core electrons, cannot be treated accurately via the pair correlation of the homogeneous electron gas. We discuss how this problem can be addressed by reducing the screening in the homogeneous electron gas by adding terms depending on the gradient of the electron density. Further improvements are obtained when core electrons are treated within the LDA and the valence electron using the WDA. Finally, we discuss a semiempirical WDA-based approach in which a sum rule is imposed to reproduce the experimental lifetimes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000408342600003	Publication Date	2017-08-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	6	Open Access
	Notes	Fonds Wetenschappelijk Onderzoek, G. 0224.14N ; U.S. Department of Energy, DE-FG02-07ER46352 DE-AC02-05CH11231 DE-SC0012575 ;			Approved	Most recent IF: 3.836
	Call Number	CMT @ cmt @c:irua:145703			Serial	4703
Permanent link to this record



	Author	Truong, B.; Siegert, K.; Lin, A.; Miller, V.; Krebs, F.C.
	Title	Apical application of nanosecond-pulsed dielectric barrier discharge plasma causes the basolateral release of adenosine triphosphate as a damage-associated molecular pattern from polarized HaCaT cells			Type	A1 Journal article
	Year	2017	Publication	Plasma medicine	Abbreviated Journal
	Volume	7	Issue	2	Pages	117-131
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Promising biomedical uses for nonthermal plasma (NTP) in the fields of regenerative medicine, cancer therapy, and vaccine delivery involve the noninvasive application of uniform nonequilibrium plasma (including dielectric barrier discharge plasma) to living skin. Whereas most investigations have focused on achieving desired therapeutic outcomes, fewer studies have examined the mechanisms and pathways by which epithelial cells respond to NTP exposure. Using a transwell apical-basolateral-chambered system to culture the human keratinocyte HaCaT cell line, in vitro experiments were performed to demonstrate the effects of nanosecond-pulsed dielectric barrier discharge (nsDBD) plasma on polarized epithelial cell viability, monolayer permeability, intracellular oxidative stress, and the release of adenosine triphosphate (ATP). Application of nsDBD plasma at 60 Hz or below had minimal or no effect on HaCaT monolayer viability or permeability. nsDBD plasma exposure did, however, result in frequency-dependent reductions in intracellular glutathione (indicating direct induction of oxidative stress by nsDBD plasma) and increased extracellular ATP concentrations in the ba-solateral (subepithelial) media, which are indicators of cellular stress and an NTP-induced inflammatory response. These studies provide new insights into nsDBD plasma-induced inflammation and local innate immune responses initiated by polarized epithelial tissues.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2017-02-24
	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	no
	Call Number	UA @ admin @ c:irua:155656			Serial	7465
Permanent link to this record



	Author	Belik, A.A.; Morozov, V.A.; Deyneko, D.V.; Savon, A.E.; Baryshnikova, O.V.; Zhukovskaya, E.S.; Dorbakov, N.G.; Katsuya, Y.; Tanaka, M.; Stefanovich, S.Y.; Hadermann, J.; Lazoryak, B.I.
	Title	Antiferroelectric properties and site occupations ofR³⁺ cations in Ca₈MgR(PO₄)₇ luminescent host materials			Type	A1 Journal article
	Year	2017	Publication	Journal of alloys and compounds	Abbreviated Journal
	Volume	699	Issue		Pages	928-937
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Ca8MgR(PO4)(7) = La, Pr, Nd, Sm-Lu, and Y) phosphates with a beta-Ca-3(PO4)(2) related structure were prepared by a standard solid-state method in air. Second-harmonic generation, differential scanning calorimetry, and dielectric measurements led to the conclusion that all Ca8MgR(PO4)(7) are centrosymmetric and go to another centrosymmetric phase in the course of a first-order antiferroelectric phase transition well above room temperature (RT). High-temperature electron diffraction showed that the symmetry changes from R (3) over barc to R (3) over barm during the phase transition. Structures of Ca8MgR(PO4)(7) at RT were refined by the Rietveld method in centrosymmetric space group R (3) over barc. Mg2+ cations occupy the M5 site; the occupancy of the M1 site by R3+ cations increases monotonically from 0.0389 for R = La to 0.1667 for R = Er-Lu, whereas the occupancy of the M3 site by R3+ cations decreases monotonically from 0.1278 for R = La to 0 for R = Er-Lu. In the case of R = Er-Lu, the M3 site is occupied only by Ca2+ cations. P1O(4) tetrahedra and cations at the M3 site are disordered in the R (3) over barc structure of Ca8MgEu(PO4)(7). Using synchrotron X-ray powder diffraction, we found that annealing conditions do not significantly affect the distribution of Ca2+ and Eu3+ cations between the structure positions of Ca8MgEu(PO4)(7). Luminescent properties of CasMgEu(PO4)(7) powder samples were investigated under near-ultraviolet (n-UV) light. Excitation spectra of CasMgEu(PO4)(7) show the strongest absorption at about 395 nm that matches with commercially available n-UV-emitting GaN-based LED chips. Emission spectra show an intense red emission due to the D-5(0) -> F-7(2) transition of Eu3+. (C) 2016 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000393727500129	Publication Date	2016-12-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-8388	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:152665			Serial	7464
Permanent link to this record



	Author	Van Boxem, W.; Van der Paal, J.; Gorbanev, Y.; Vanuytsel, S.; Smits, E.; Dewilde, S.; Bogaerts, A.
	Title	Anti-cancer capacity of plasma-treated PBS: effect of chemical composition on cancer cell cytotoxicity			Type	A1 Journal article
	Year	2017	Publication	Scientific reports	Abbreviated Journal	Sci Rep-Uk
	Volume	7	Issue	1	Pages	16478
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We evaluate the anti-cancer capacity of plasma-treated PBS (pPBS), by measuring the concentrations of NO2 − and H2O2 in pPBS, treated with a plasma jet, for different values of gas flow rate, gap and plasma treatment time, as well as the effect of pPBS on cancer cell cytotoxicity, for three different glioblastoma cancer cell lines, at exactly the same plasma treatment conditions. Our experiments reveal that pPBS is cytotoxic for all conditions investigated. A small variation in gap between plasma jet and liquid surface (10 mm vs 15 mm) significantly affects the chemical composition of pPBS and its anti-cancer capacity, attributed to the occurrence of discharges onto the liquid. By correlating the effect of gap, gas flow rate and plasma treatment time on the chemical composition and anti-cancer capacity of pPBS, we may conclude that H2O2 is a more important species for the anti-cancer capacity of pPBS than NO2 −. We also used a 0D model, developed for plasma-liquid interactions, to elucidate the most important mechanisms for the generation of H2O2 and NO2 −. Finally, we found that pPBS might be more suitable for practical applications in a clinical setting than (commonly used) plasma-activated media (PAM), because of its higher stability.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000416398100028	Publication Date	2017-11-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2045-2322	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.259	Times cited	40	Open Access	OpenAccess
	Notes	We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant No. 11U5416N), the Research Council of the University of Antwerp and the European Marie Skłodowska-Curie Individual Fellowship “LTPAM” within Horizon2020 (Grant No. 743151). Finally, we would like to thank P. Attri and A. Privat Maldonado for the valuable discussions.			Approved	Most recent IF: 4.259
	Call Number	PLASMANT @ plasmant @c:irua:147192			Serial	4766
Permanent link to this record



	Author	Cuypers, B.; Vermeylen, S.; Hammerschmid, D.; Trashin, S.; Rahemi, V.; Konijnenberg, A.; De Schutter, A.; Cheng, C.-H.C.; Giordano, D.; Verde, C.; De Wael, K.; Sobott, F.; Dewilde, S.; Van Doorslaer, S.
	Title	Antarctic fish versus human cytoglobins : the same but yet so different			Type	A1 Journal article
	Year	2017	Publication	Journal of inorganic biochemistry	Abbreviated Journal	J Inorg Biochem
	Volume	173	Issue		Pages	66-78
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The cytoglobins of the Antarctic fish Chaenocephalus aceratus and Dissostichus mawsoni have many features in common with human cytoglobin. These cytoglobins are heme proteins in which the ferric and ferrous forms have a characteristic hexacoordination of the heme iron, i.e. axial ligation of two endogenous histidine residues, as confirmed by electron paramagnetic resonance, resonance Raman and optical absorption spectroscopy. The combined spectroscopic analysis revealed only small variations in the heme-pocket structure, in line with the small variations observed for the redox potential. Nevertheless, some striking differences were also discovered. Resonance Raman spectroscopy showed that the stabilization of an exogenous heme ligand, such as CO, occurs differently in human cytoglobin in comparison with Antarctic fish cytoglobins. Furthermore, while it has been extensively reported that human cytoglobin is essentially monomeric and can form an intramolecular disulfide bridge that can influence the ligand binding kinetics, 3D modeling of the Antarctic fish cytoglobins indicates that the cysteine residues are too far apart to form such an intramolecular bridge. Moreover, gel filtration and mass spectrometry reveal the occurrence of non-covalent multimers (up to pentamers) in the Antarctic fish cytoglobins that are formed at low concentrations. Stabilization of these oligomers by disulfide-bridge formation is possible, but not essential. If intermolecular disulfide bridges are formed, they influence the heme-pocket structure, as is shown by EPR measurements.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000405159600007	Publication Date	2017-04-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0162-0134	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.348	Times cited	7	Open Access
	Notes	; The authors acknowledge the support of the University of Antwerp GOA-BOF funding (28312), FWO funding (G.0687.13) and the Hercules foundation for funding of the Synapt G2 instrument. This study was carried out in the framework of the SCAR program “Antarctic Thresholds – Ecosystem Resilience and Adaptation” (AnT-ERA). It was financially supported by the Italian National Program for Antarctic Research (PNRA). Research of A. De Schutter is funded by a PhD grant of the Agency for Innovation by Science and Technology (121339) (IWT, Belgium). C-H C. Cheng acknowledges funding support from US National Science Foundation Polar Programs (ANT-1142158). ;			Approved	Most recent IF: 3.348
	Call Number	UA @ admin @ c:irua:144826			Serial	5474
Permanent link to this record



	Author	Saberi-Pouya, S.; Vazifehshenas, T.; Salavati-fard, T.; Farmanbar, M.
	Title	Anisotropic hybrid excitation modes in monolayer and double-layer phosphorene on polar substrates			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	96	Issue	11	Pages	115402
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the anisotropic hybrid surface optical (SO) phonon-plasmon dispersion relations in monolayer and double-layer phosphorene systems located on the polar substrates, such as SiO2, h-BN, and Al2O3. We calculate these hybrid modes by using the dynamical dielectric function in the random phase approximation in which the electron-electron interaction and long-range electric field generated by the substrate SO phonons via Frohlich interaction are taken into account. In the long-wavelength limit, we obtain some analytical expressions for the hybrid SO phonon-plasmon dispersion relations which agree with those obtained from the loss function. Our results indicate a strong anisotropy in SO phonon-plasmon modes, which are stronger along the light-mass direction in our heterostructures. Furthermore, we find that the type of substrate has a significant effect on the dispersion relations of the coupled modes. Importantly, the hybrid excitations are apparently sensitive to the misalignment and separation between layers in double-layer phosphorene.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000408826200004	Publication Date	2017-09-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	6	Open Access
	Notes	; ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:145665			Serial	4737
Permanent link to this record



	Author	Maes, D.; Van Passel, S.
	Title	An agent-based model of farmer behaviour to explain the limited adaptability of Flemish agriculture			Type	A1 Journal article
	Year	2017	Publication	Environmental Innovation and Societal Transitions	Abbreviated Journal
	Volume	22	Issue		Pages	63-77
	Keywords	A1 Journal article; Engineering Management (ENM)
	Abstract	Transition projects have been implemented for Flemish agriculture since 2003, but these did not enable a transformation of the agricultural sector. This paper looks at pre-transition scenarios that have been collectively designed by stakeholders of the agricultural sector in 2002. These foresaw decreases in the regional animal stocks in Flanders. However, the real evolution of the sector did not reveal such a decrease. It is assumed that the individual adaptive behaviour of farmers can explain the unexpected stability of the Flemish agricultural sector. A detailed agent-based model has been built to replicate the past evolution, accounting for structural diversity of farmers, heterogeneity in behaviour, and natural resource constraints. The results indicate that different forms of rigidity in the individual behaviour of farmers slow down the adaptation of the agricultural sector. Future transition scenarios should account for these elements in order not to overestimate the speed of change in the sector. (C) 2016 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000400269900006	Publication Date	2016-07-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2210-4224	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access
	Notes	; This project was financed by the Impuls-project of the Transnational University Limburg (TUL, Belgium and theNetherlands). A prior version of the results was presented in September 2014 at the 10th annual meeting of the European Social Simulation Association (ESSA) in Barcelona; the remarks from participants improved this manuscript. Thecomputational resources and services in support of this study were provided by the Hercules Foundation and the Flemish Government-department EWI. Prof. Steven Van Passel thanks DG Agriculture (European Commission) for access to theFarm Accountancy Data Network (FADN). All remaining errors are the sole responsibility of the authors. ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:143721			Serial	6150
Permanent link to this record



	Author	Cao, M.; Xiong, D.-B.; Tan, Z.; Ji, G.; Amin-Ahmadi, B.; Guo, Q.; Fan, G.; Guo, C.; Li, Z.; Zhang, D.
	Title	Aligning graphene in bulk copper : nacre-inspired nanolaminated architecture coupled with in-situ processing for enhanced mechanical properties and high electrical conductivity			Type	A1 Journal article
	Year	2017	Publication	Carbon	Abbreviated Journal
	Volume	117	Issue		Pages	65-74
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Methods used to strengthen metals generally also cause a pronounced decrease in ductility and electrical conductivity. In this work a bioinspired strategy is applied to surmount the dilemma. By assembling copper submicron flakes cladded with in-situ grown graphene, graphene/copper matrix composites with a nanolaminated architecture inspired by a natural nacre have been prepared. Owing to a combined effect-from the bioinspired nanolaminated architecture and improved interfacial bonding, a synergy has been achieved between mechanical strength and ductility as well as electrical conductivity in the graphene/copper matrix composites. With a low volume fraction of only 2.5% of graphene, the composite shows a yield strength and elastic modulus similar to 177% and similar to 25% higher than that of unreinforced copper matrix, respectively, while retains ductility and electrical conductivity comparable to that of pure copper. The bioinspired nanolaminated architecture enhances the efficiencies of two-dimensional (2D) graphene in mechanical strengthening and electrical conducting by aligning graphene to maximize performance for required loading and carrier transporting conditions, and toughens the composites by crack deflection. Meanwhile, in-situ growth of graphene is beneficial for improving interfacial bonding and structural quality of graphene. The strategy sheds light on the development of composites with good combined structural and functional properties. (C) 2017 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000400212100008	Publication Date	2017-02-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0008-6223	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:152635			Serial	7435
Permanent link to this record



	Author	Li, L.L.; Moldovan, D.; Vasilopoulos, P.; Peeters, F.M.
	Title	Aharonov-Bohm oscillations in phosphorene quantum rings			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	95	Issue	20	Pages	205426
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The Aharonov-Bohm (AB) effect in square phosphorene quantum rings, with armchair and zigzag edges, is investigated using the tight-binding method. The energy spectra and wave functions of such rings, obtained as a function of the magnetic flux Phi threading the ring, are strongly influenced by the ringwidthW, an in-plane electric field E-p, and a side-gating potential V-g. Compared to a square dot, the ring shows an enhanced confinement due to its inner edges and an interedge coupling along the zigzag direction, both of which strongly affect the energy spectrum and the wave functions. The energy spectrum that is gapped consists of a regular part, of conduction (valence) band states, that shows the usual AB oscillations in the higher-(lower-) energy region, and of edge states, in the gap, that exhibit no AB oscillations. As the width W decreases, the AB oscillations become more distinct and regular and their period is close to Phi(0)/2, where the flux quantum Phi(0) = h/e is the period of an ideal circular ring (W -> 0). Both the electric field E-p and the side-gating potential V-g reduce the amplitude of the AB oscillations. The amplitude can be effectively tuned by E-p or V-g and exhibits an anisotropic behavior for different field directions or side-gating configurations.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000402003700010	Publication Date	2017-05-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	16	Open Access
	Notes	; This work was financially supported by the Chinese Academy of Sciences, the Flemish Science Foundation (FWO-V1), and by the Canadian NSERC Grant No. OGP0121756 (P.V.). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:144267			Serial	4638
Permanent link to this record



	Author	Longo, R.; Ferrarotti, M.; Garcia Sánchez, C.; Derudi, M.; Parente, A.
	Title	Advanced turbulence models and boundary conditions for flows around different configurations of ground-mounted buildings			Type	A1 Journal article
	Year	2017	Publication	Journal of wind engineering and industrial aerodynamics	Abbreviated Journal	J Wind Eng Ind Aerod
	Volume	167	Issue		Pages	160-182
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	When dealing with Atmospheric Boundary Layer (ABL) simulations, commercial computational fluid dynamics (CFD) acquires a strategic resonance. Thanks to its good compromise between accuracy of results and calculation time, RANS still represents a valid alternative to more resource-demanding methods. However, focusing on the models' performances in urban studies, LES generally outmatches RANS results, even if the former is at least one order of magnitude more expensive. Consequently, the present work aims to propose a variety of approaches meant to solve some of the major problems linked to RANS simulations and to further improve its accuracy in typical urban contexts. All of these models are capable of switching from an undisturbed flux formulation to a disturbed one through a local deviation or a marker function. For undisturbed flows, a comprehensive approach is adopted, solving the issue of the erroneous stream-wise gradients affecting the turbulent profiles. Around obstacles, Non-Linear Eddy-Viscosity closures are adopted, due to their prominent capability in capturing the anisotropy of turbulence. The purpose of this work is then to propose a new Building Influence Area concept and to offer more affordable alternatives to LES simulations without sacrificing a good grade of accuracy.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000405766600013	Publication Date	2017-05-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0167-6105	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.049	Times cited	9	Open Access	Not_Open_Access
	Notes	; ;			Approved	Most recent IF: 2.049
	Call Number	UA @ lucian @ c:irua:145191			Serial	4713
Permanent link to this record



	Author	Altantzis, T.; Zanaga, D.; Bals, S.
	Title	Advanced electron tomography of nanoparticle assemblies			Type	A1 Journal article
	Year	2017	Publication	Europhysics letters	Abbreviated Journal	Epl-Europhys Lett
	Volume	119	Issue	119	Pages	38001
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Nanoparticle assemblies have attracted enormous scientific interest during the last years, due to their unique properties compared to those of their building blocks. To understand the origin of these properties and to establish the connection with their structure, a detailed and quantitative structural characterization is essential. Transmission electron microscopy has been widely used to investigate nano-assemblies. However, TEM images only correspond to a twodimensional projection of a three-dimensional object. Therefore, in order to obtain the necessary 3D structural information electron tomography has to be applied. By means of advanced electron tomography, both qualitative and quantitative information can be obtained, which can be used for detailed theoretical studies.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000415019400023	Publication Date	2017-10-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0295-5075	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.957	Times cited	8	Open Access	OpenAccess
	Notes	We would like to thank the colleagues who have contributed to this work over the years, including L. M. Liz- Marzan, M. Grzelczak, A. Sanchez-Iglesias, D. Vanmaekelbergh, M. P. Boneschanscher, W. H. Evers, J. J. Geuchies, B. Goris, A. de Backer, S. van Aert, M.-P. Pileni, Z. Yang, K. J. Batenburg, J. Sijbers, F. Bleichrodt, W. J. Palenstijn, A. van Blaaderen, M. A. van Huis, F. M. Peeters, N. Winckelmans and D. Wang. The authors gratefully acknowledge funding from the Research Foundation Flanders (G.0381.16N, G.036915 G.0374.13 and funding of a postdoctoral grant to TA). SB and DZ acknowledge funding from the European Research Council, ERC grant No. 335078 – Colouratom. (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); saraecas; ECAS_Sara;			Approved	Most recent IF: 1.957
	Call Number	EMAT @ emat @c:irua:146096UA @ admin @ c:irua:146096			Serial	4733
Permanent link to this record



	Author	Zanaga, D.
	Title	Advanced algorithms for quantitative electron tomography			Type	Doctoral thesis
	Year	2017	Publication		Abbreviated Journal
	Volume		Issue		Pages
	Keywords	Doctoral thesis; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Antwerpen	Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:146571			Serial	4736
Permanent link to this record



	Author	Leliaert, J.; Mulkers, J.; De Clercq, J.; Coene, A.; Dvornik, M.; Van Waeyenberge, B.
	Title	Adaptively time stepping the stochastic Landau-Lifshitz-Gilbert equation at nonzero temperature: Implementation and validation in MuMax³			Type	A1 Journal article
	Year	2017	Publication	AIP advances	Abbreviated Journal	Aip Adv
	Volume	7	Issue	12	Pages	125010
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Thermal fluctuations play an increasingly important role in micromagnetic research relevant for various biomedical and other technological applications. Until now, it was deemed necessary to use a time stepping algorithm with a fixed time step in order to perform micromagnetic simulations at nonzero temperatures. However, Berkov and Gorn have shown in [D. Berkov and N. Gorn, J. Phys.: Condens. Matter,14, L281, 2002] that the drift term which generally appears when solving stochastic differential equations can only influence the length of the magnetization. This quantity is however fixed in the case of the stochastic Landau-Lifshitz-Gilbert equation. In this paper, we exploit this fact to straightforwardly extend existing high order solvers with an adaptive time stepping algorithm. We implemented the presented methods in the freely available GPU-accelerated micromagnetic software package MuMax3 and used it to extensively validate the presented methods. Next to the advantage of having control over the error tolerance, we report a twenty fold speedup without a loss of accuracy, when using the presented methods as compared to the hereto best practice of using Heun’s solver with a small fixed time step.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000418492500010	Publication Date	2017-12-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2158-3226	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.568	Times cited	13	Open Access
	Notes	This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N and a postdoctoral fellowship (A.C.). J. L. is supported by the Ghent University Special Research Fund (BOF postdoctoral fellowship). We gratefully acknowl- edge the support of NVIDIA Corporation with the donation of the Titan Xp GPU used for this research.			Approved	Most recent IF: 1.568
	Call Number	CMT @ cmt @c:irua:147860			Serial	4799
Permanent link to this record



	Author	Singh, V.; Mehta, B.R.; Sengar, S.K.; Karakulina, O.M.; Hadermann, J.; Kaushal, A.
	Title	Achieving independent control of core diameter and carbon shell thickness in Pd-C core–shell nanoparticles by gas phase synthesis			Type	A1 Journal article
	Year	2017	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	28	Issue	29	Pages	295603
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Pd-C core–shell nanoparticles with independently controllable core size and shell thickness are grown by gas phase synthesis. First, the core size is selected by electrical mobility values of charged particles, and second, the shell thickness is controlled by the concentration of carbon precursor gas. The carbon shell grows by adsorption of carbon precursor gas molecules on the surface of nanoparticles, followed by sintering. The presence of a carbon shell on Pd nanoparticles is potentially important in hydrogen-related applications operating at high temperatures or in catalytic reactions in acidic/aqueous environments.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000404633200002	Publication Date	2017-06-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0957-4484	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.44	Times cited	1	Open Access	Not_Open_Access
	Notes	VS is thankful to the All India Council for Technical Education, India, for providing assistantship under its Quality Improvement Programme. BRM gratefully acknowledges the support of the Nanomission Programme of the Department of Science and Technology (DST), India and Schlumberger Chair Professorship. BRM would also like to acknowledge the support from the project funded by BRNS, DAE, India.			Approved	Most recent IF: 3.44
	Call Number	EMAT @ emat @c:irua:144831			Serial	4712
Permanent link to this record



	Author	Peelaers, H.; Durgun, E.; Partoens, B.; Bilc, D.I.; Ghosez, P.; Van de Walle, C.G.; Peeters, F.M.
	Title	Ab initio study of hydrogenic effective mass impurities in Si nanowires			Type	A1 Journal article
	Year	2017	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	29	Issue	29	Pages	095303
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The effect of B and P dopants on the band structure of Si nanowires is studied using electronic structure calculations based on density functional theory. At low concentrations a dispersionless band is formed, clearly distinguishable from the valence and conduction bands. Although this band is evidently induced by the dopant impurity, it turns out to have purely Si character. These results can be rigorously analyzed in the framework of effective mass theory. In the process we resolve some common misconceptions about the physics of hydrogenic shallow impurities, which can be more clearly elucidated in the case of nanowires than would be possible for bulk Si. We also show the importance of correctly describing the effect of dielectric confinement, which is not included in traditional electronic structure calculations, by comparing the obtained results with those of G(0)W(0) calculations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000395103900002	Publication Date	2017-01-06
	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	1	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), the NSF MRSEC Program under award No. DMR11-21053, and the Army Research Office (W911NF-13-1-0380). DIB acknowledges financial support from the grant of the Romanian National Authority for Scientific Research, CNCS UEFISCDI, project No. PN-II-RU-TE-2011-3-0085. Ph G acknowledges a research professorship of the Francqui foundation and financial support of the ARC project AIMED and FNRS project HiT4FiT. This research used resources of the Ceci HPC Center funded by F R S-FNRS (Grant No. 2.5020.1) and of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. ;			Approved	Most recent IF: 2.649
	Call Number	UA @ lucian @ c:irua:142447			Serial	4584
Permanent link to this record



	Author	Moretti, M.; Njakou Djomo, S.; Azadi, H.; May, K.; De Vos, K.; Van Passel, S.; Witters, N.
	Title	A systematic review of environmental and economic impacts of smart grids			Type	A1 Journal article
	Year	2017	Publication	Renewable & Sustainable Energy Reviews	Abbreviated Journal	Renew Sust Energ Rev
	Volume	68	Issue	2	Pages	888-898
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	Smart grids (SGs) have a central role in the development of the global power sector. Cost-benefit analyses and environmental impact assessments are used to support policy on the deployment of SG systems and technologies. However, the conflicting and widely varying estimates of costs, benefits, greenhouse gas (GHG) emission reduction, and energy savings in literature leave policy makers struggling with how to advise regarding SG deployment. Identifying the causes for the wide variation of individual estimates in the literature is crucial if evaluations are to be used in decision-making. This paper (i) summarizes and compares the methodologies used for economic and environmental evaluation of SGs (ii) identifies the sources of variation in estimates across studies, and (iii) point to gap in research on economic and environmental analyses of SG systems. Seventeen studies (nine articles and eight reports published between 2000 and 2015) addressing the economic costs versus benefits, energy efficiency, and GHG emissions of SGs were systematically searched, located, selected, and reviewed. Their methods and data were subsequently extracted and analysed. The results show that no standardized method currently exists for assessing the economic and environmental impacts of SG systems. The costs varied between 0.03 and 1143 M/yr, while the benefits ranged from 0.04 to 804 M/yr, suggesting that SG systems do not result in cost savings The primary energy savings ranged from 0.03 to 0.95 MJ/kWh, whereas the GHG emission reduction ranged from 10 to 180 gCO2/kWh, depending on the country grid mix and the system boundary of the SG system considered. The findings demonstrate that although SG systems are energy efficient and reduce GHG emissions, investments in SG systems may not yield any benefits. Standardizing some methodologies and assumptions such as discount rates, time horizon and scrutinizing some key input data will result in more consistent estimates of costs and benefits, GHG emission reduction, and energy savings.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000391899400006	Publication Date	2016-03-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1364-0321; 1879-0690	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.05	Times cited	27	Open Access
	Notes	; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. This research paper has been implemented within the GREAT (Growing Renewable Energy Applications and Technologies) project funded by the European INTERREG IVB North-Western Europe Programme. Nele Witters was financed by FWO (Research Foundation Flanders). ;			Approved	Most recent IF: 8.05
	Call Number	UA @ admin @ c:irua:139036			Serial	6260
Permanent link to this record



	Author	Van Passel, S.; Massetti, E.; Mendelsohn, R.
	Title	A Ricardian analysis of the impact of climate change on European agriculture			Type	A1 Journal article
	Year	2017	Publication	Environmental & Resource Economics	Abbreviated Journal	Environ Resour Econ
	Volume	67	Issue	4	Pages	725-760
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	This research estimates the impact of climate on European agriculture using a continental scale Ricardian analysis. Climate, soil, geography and regional socio-economic variables are matched with farm level data from 41,030 farms across Western Europe. We demonstrate that a median quantile regression outperforms OLS given farm level data. The results suggest that European farms are slightly more sensitive to warming than American farms with impacts from +5 to −32 % by 2100 depending on the climate scenario. Farms in Southern Europe are predicted to be particularly sensitive, suffering losses of −5 to −9 % per degree Celsius.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000408358900005	Publication Date	2016-03-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0924-6460	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.582	Times cited	15	Open Access
	Notes	; The authors would kindly want to express their gratitude towards DG AGRI for access to the Farm Accountancy Data Network (FADN). Steven Van Passel also thanks FWO for funding his research stay at Yale University. Steven Van Passel is also obliged to the OECD for awarding a fellowship of the co-operative research program `Biological Resource Management for Sustainable Agricultural Systems'. Emanuele Massetti gratefully acknowledges funding from the Marie Curie IOF Cli-EMA “Climate change impacts-Economic modelling and analysis”. ;			Approved	Most recent IF: 1.582
	Call Number	UA @ admin @ c:irua:139041			Serial	6246
Permanent link to this record



	Author	Thomassen, G.; Van Dael, M.; Lemmens, B.; Van Passel, S.
	Title	A review of the sustainability of algal-based biorefineries : towards an integrated assessment framework			Type	A1 Journal article
	Year	2017	Publication	Renewable & Sustainable Energy Reviews	Abbreviated Journal	Renew Sust Energ Rev
	Volume	68	Issue	2	Pages	876-887
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	Algal-based bioenergy products have faced multiple economic and environmental problems. To counter these problems, algal-based biorefineries have been proposed as a promising solution. Multiple environmental and economic assessments have analyzed this concept. However, a wide variation in results was reported. This study performs a review to evaluate the methodological reasons behind this variation. Based on this review, four main challenges for a sustainability assessment were identified: 1) the use of a clear framework; 2) the adaptation of the methodology to all stages of technological maturity; 3) the use of harmonized assumptions; 4) the integration of the technological process. A generic methodology, based on the integration of a techno-economic assessment methodology and a streamlined life cycle assessment was proposed. This environmental techno-economic assessment can be performed following an iterative approach during each stage of technology development. In this way, crucial technological parameters can be directly identified and evaluated during the maturation of the technology. The use of this assessment methodology can therefore act as guidance to decrease the time-to-market for innovative and sustainable technologies.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000391899400005	Publication Date	2016-03-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1364-0321; 1879-0690	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.05	Times cited	23	Open Access
	Notes	; ;			Approved	Most recent IF: 8.05
	Call Number	UA @ admin @ c:irua:139038			Serial	6245
Permanent link to this record



	Author	Momot, A.; Amini, M.N.; Reekmans, G.; Lamoen, D.; Partoens, B.; Slocombe, D.R.; Elen, K.; Adriaensens, P.; Hardy, A.; Van Bael, M.K.
	Title	A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc			Type	A1 Journal article
	Year	2017	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	19	Issue	40	Pages	27866-27877
	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	A combined experimental and first-principles study is performed to study the origin of conductivity in ZnO:Al nanoparticles synthesized under controlled conditions via a reflux route using benzylamine as a solvent. The experimental characterization of the samples by Raman, nuclear magnetic resonance (NMR) and conductivity measurements indicates that upon annealing in nitrogen, the Al atoms at interstitial positions migrate to the substitutional positions, creating at the same time Zn interstitials. We provide evidence for the fact that the formed complex of AlZn and Zni corresponds to the origin of the Knight shifted peak (KS) we observe in 27Al NMR. As far as we know, the role of this complex has not been discussed in the literature to date. However, our first-principles calculations show that such a complex is indeed energetically favoured over the isolated Al interstitial positions. In our calculations we also address the charge state of the Al interstitials. Further, Zn interstitials can migrate from Al_Zn and possibly also form Zn clusters, leading to the observed increased conductivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000413290500073	Publication Date	2017-10-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	26	Open Access	OpenAccess
	Notes	We want to thank the Interuniversity Attraction Poles Programme (P7/05) initiated by the Belgian Science Policy Office (BELSPO) for the financial support. We also acknowledge the Research Foundation Flanders (FWO-Vlaanderen) for support via the MULTIMAR WOG project and under project No. G018914. The computational parts were carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules foundation and the Flemish Government (EWI Department).			Approved	Most recent IF: 4.123
	Call Number	EMAT @ emat @c:irua:146878			Serial	4760
Permanent link to this record



	Author	Gielis, J.; Natalini, P.; Ricci, P.E.
	Title	A note about generalized forms of the Gielis formula			Type	H1 Book chapter
	Year	2017	Publication		Abbreviated Journal
	Volume	2	Issue		Pages	107-116 T2 - Modeling in mathematics : proceedings
	Keywords	H1 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	We generalize the Gielis Superformula by extending the R. Chacon approach, but avoiding the use of Jacobi elliptic functions. The obtained results are extended to the three-dimensional case. Several new shapes are derived by using the computer algebra system Mathematica(C).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000442076400008	Publication Date	2017-04-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN	978-94-6239-260-1; 978-94-6239-261-8; 2543-0300; 978-94-6239-260-1	Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:144550			Serial	8318
Permanent link to this record



	Author	De Meyer, S.; Vanmeert, F.; Janssens, K.; Storme, P.
	Title	A mobile scanner for xrpd-imaging of paintings in transmission and reflection geometry			Type	P1 Proceeding
	Year	2017	Publication	ACTA ARTIS ACADEMICA 2017: PAINTING AS A STORY T2 – 6th Interdisciplinary ALMA Conference, JUN 01-03, 2017, Brno, CZECH REPUBLIC	Abbreviated Journal
	Volume		Issue		Pages	29-38
	Keywords	P1 Proceeding; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
	Abstract	In this paper the possibilities and limitations of a non-invasive prototype of macroscopic X-ray powder diffraction scanning device employed in transmission and reflection mode are demonstrated. Contrarily to e.g. macroscopic X-ray fluorescence scanners, which gather information on the elemental level, the prototype instrument allows to obtain information on the crystallographic structure of the components. When applied to cultural heritage artefacts, it becomes possible to identify and localize crystalline pigments. Furthermore, it became clear that different information can be available depending on the geometry of the scanner components. In transmission mode information over the entire stratigraphy of the painting is gathered, which is useful to e.g. identify background substrates and major pigments. On the other hand, reflection-XRPD is a surface-sensitive technique and allows the identification of pigments and degradation products located on the surface. The data acquired during both experiments can be presented as two-dimensional distribution maps which show the spatial distribution of every identified pigment. The complementary nature of transmission and reflectionmode makes it possible to gain more insight into the stratigraphy of the painting which is valuable information for conservation and restoration scientists.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000430517600002	Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	978-80-87108-75-8	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:189869			Serial	7392
Permanent link to this record