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“Virtual underpainting reconstruction from X-ray fluorescence imaging data”. Anitha A, Brasoveanu A, Duarte MF, Hughes SM, Daubechies I, Dik J, Janssens K, Alfeld M, , 1239 (2011)
Keywords: P1 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“In situ study of the parameters quantifying the corrosion in ballast tanks and an evaluation of improving alternative”. de Baere K, Verstraelen H, Lemmens L, Lenaerts S, Potters G, (2011)
Abstract: An in situ study of more than 100 ballast tanks of merchant marine vessels looks to the corrosion process in these tanks from another perspective. The developed corrosion model shows major similarities with earlier studies based on laboratory experiments. The field work exposes the influence of ship construction parameters such as land of construction, coating type and the presence of sacrificial anodes on the corrosion process in the ballast tanks. Possible alternatives for vessels constructed with ordinary grade A steel and coated according to IMO PSPC standards are presented, even though further research is required to come to final conclusions.
Keywords: P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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Hauchecorne B, Tytgat T, Terrens D, Vanpachtenbeke F, Lenaerts S (2011) Reaction chamber for studying a solid-gas interaction : PCT/EP2011/051075
Keywords: Patent; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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“About “bulky” links, generated by generalized Möbius-Listing bodies”. Gielis J, Tavkelidze I, Ricci PE page 115 (2011).
Keywords: H3 Book chapter; Sustainable Energy, Air and Water Technology (DuEL)
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“Caracterização dos sistemas iônicos e particulado no reservatório”. Godoi RHM, Bittencourt AVL, Hirata PY, Jafelicci Junior M, dos Reis Neto JM, de Souza Sarkis JE, Zara LF, Van Grieken R page 170 (2011).
Keywords: H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Carbon flux and carbon stock in a bamboo stand and their relevance for mitigating climate change”. Düking R, Gielis J, Liese W, Bamboo Science &, Culture 24, 1 (2011)
Abstract: In this report we describe the basics of biological carbon fixation in bamboo forests. Confusing carbon stock with carbon flux has led to false expectations on the significance of bamboo forests as carbon sinks. Furthermore, misunderstandings about the growth of bamboo culms can lead to highly exaggerated expectations on the productivity of bamboo.
Keywords: A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
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“Compositional correlation between pigments found in excavations and on human bones investigated with micro-raman spectrometry and scanning electron microscopy”. Vázquez C, Darchuk L, Stefaniak EA, Van Grieken R, Palacios OR page 13 (2011).
Keywords: H2 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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Hauchecorne B (2011) Development of an FTIR in situ reactor for real time study of surface reactions in photocatalysis. 155 p
Keywords: Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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“Fourier-like solution of the Dirichlet problem for the Laplace Equation in k-type Gielis domains”. Caratelli D, Gielis J, Ricci PE, Journal of pure and applied mathematics : advances and applications 5, 99 (2011)
Abstract: The interior and exterior Dirichlet problems for the Laplace equation in k-type Gielis domains are analytically addressed by using a suitable Fourier-like technique. A dedicated numerical procedure based on the computer-aided algebra tool Mathematica© is developed in order to validate the proposed approach. In this way, highly accurate approximations of the solution, featuring properties similar to the classical ones, are obtained. Computed results are found to be in good agreement with theoretical findings on Fourier series expansion presented by Carleson.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
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“Integration of analysis techniques of different scales using X ray induced and electron induced X ray spectrometry for applications in preventive conservation and environmental monitoring”. Van Grieken R, Darchuk L, Kontozova V, Potgieter-Vermaak S, van Meel K, Stefaniak E, Worobiec A page 53 (2011).
Abstract: In the past years, and also within the framework of this CRP, we have used a combination of several nuclear and non-nuclear techniques in fundamental research and especially in various applications. Most work has been done with energy-dispersive X ray fluorescence in combination with electron probe X ray microanalysis, but several other more common analysis techniques have been used as well. The applications have included mostly preventive conservation (e.g. characterisation of damaging atmospheric particles in many museums) and environmental monitoring (e.g. for atmospheric particles in relation to their health effects in outdoor and especially indoor environments). Fundamental aspects have been in the optimising of interfaced electron microprobe and Raman microprobe analysis and the evaluation of the potential of such an instrument for atmospheric aerosols; quite a few unexpected and unpredicted problems have appeared in the latter study.
Keywords: H2 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
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“Mapping of toxic vapours on board of tankers”. Jacobs W, Floren E, Luyckx D, Bueken P, van Beeck J, Van Grieken R, (2011)
Keywords: P3 Proceeding; Economics; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Micro-Raman spectroscopy for the analysis of environmental particles”. Potgieter-Vermaak S, Worobiec A, Darchuk L, Van Grieken R page 193 (2011).
Keywords: H1 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
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“Multiscale modeling of radiation damage and annealing in Si samples implanted with 57-Mn radioactive ions”. Abreu Y, Cruz CM, van Espen P, Piñera I, Leyva A, Cabal AE, IEEE conference record
T2 –, IEEE Nuclear Science Symposium/Medical Imaging Conference (NSS/MIC)/18th, International Workshop on Room-Temperature Semiconductor X-Ray and, Gamma-Ray Detectors, OCT 23-29, 2011, Valencia, SPAIN , 1754 (2011)
Abstract: The radiation damage created in silicon materials by Mn-57 -> Fe-57 ion implantation has been studied and characterized by Mossbauer spectroscopy showing four main lines, assigned to: substitutional, interstitial and damaged configuration sites of the implanted ions. Nevertheless, the Mossbauer spectrum of Fe-57 in this materials remains with some ambiguous identification regarding the implantation configurations before and after annealing, specially the damaged configurations and its evolution. In the present work some possible implantation configurations are suggested and evaluated using a multiscale approach by Monte Carlo ion transport and electronic structure calculations within DFT. The proposed implantation environments were evaluated in terms of stability and the Fe-57 hyperfine parameters were calculated to establish the connections with the experimental observations. Good agreement was found between the experimental and the calculated hyperfine parameters for some configurations; suggesting which ones could be the implantation environments before and after sample annealing.
Keywords: P1 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Passive samplers for monitoring VOCs in groundwater : prospects related to mass flux measurements”. Verreydt G, Bronders J, van Keer I, Diels L, Vanderauwera P, (2011)
Keywords: P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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Buysse C (2011) Perovskite capillaries for gas separation in sustainable energy production. 201 p
Keywords: Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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“Platinum : environmental pollution and health effects”. Bencs L, Ravindra K, Van Grieken R page 580 (2011).
Keywords: H2 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Radiation damage evaluation on LYSO and LuYAP materials through Dpa calculation assisted by Monte Carlo method”. Piñera I, Abreu Y, van Espen P, Diaz A, Leyva A, Cruz CM, IEEE conference record
T2 –, IEEE Nuclear Science Symposium/Medical Imaging Conference (NSS/MIC)/18th, International Workshop on Room-Temperature Semiconductor X-Ray and, Gamma-Ray Detectors, OCT 23-29, 2011, Valencia, SPAIN , 1609 (2011)
Abstract: The aim of the present work is to study the radiation damage induced in LYSO and LuYAP crystals by the gamma radiation and the secondary electrons/positrons generated. The displacements per atom (dpa) distributions inside each material were calculated following the Monte Carlo assisted Classical Method (MCCM) introduced by the authors. As gamma sources were used Sc-44, Na-22 and V-48. Also the energy of gammas from the annihilation processes (511 keV) was included in the study. This procedure allowed studying the in-depth dpa distributions inside each crystal for all four sources. It was also possible to obtain the separate contribution from each atom to the total dpa. The LYSO crystals were found to receive more damage, mainly provoked by the displacements of silicon and oxygen atoms.
Keywords: P1 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Research for preventive conservation and optimal presentation of world heritage in Museum Plantin-Moretus, Antwerp”. Kontozova V, Krupińska B, Van Grieken R, Janssen E, Moris H, Aerts D, Watteeuw L, van Bos M, Peckstadt A, (2011)
Keywords: P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Atomic scale electron vortices for nanoresearch”. Verbeeck J, Schattschneider P, Lazar S, Stöger-Pollach M, Löffler S, Steiger-Thirsfeld A, Van Tendeloo G, Applied physics letters 99, 203109 (2011). http://doi.org/10.1063/1.3662012
Abstract: Electron vortex beams were only recently discovered and their potential as a probe for magnetism in materials was shown. Here we demonstrate a method to produce electron vortex beams with a diameter of less than 1.2 Å. This unique way to prepare free electrons to a state resembling atomic orbitals is fascinating from a fundamental physics point of view and opens the road for magnetic mapping with atomic resolution in an electron microscope.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.411
Times cited: 90
DOI: 10.1063/1.3662012
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“Dynamic shear localization in Ti6Al4V”. Peirs J, Verleysen P, Tirry W, Rabet L, Schryvers D, Degrieck J, Procedia Engineering
T2 –, 11th International Conference on the Mechanical Behavior of Materials, (ICM), 2011, Como, ITALY (ICM11) , 1 (2011). http://doi.org/10.1016/j.proeng.2011.04.386
Abstract: The alloy Ti6Al4V is known to be prone to the formation of adiabatic shear bands when dynamically loaded in shear. This causes a catastrophic decrease of the load carrying capacity and is usually followed by fracture. Although, the main mechanism is recognized to be the competition between strain hardening and thermal softening, a detailed understanding of the role of microstructural plasticity mechanisms and macroscopic loading conditions does not exist yet. To study strain localization and shear fracture, different high strain rate shear tests have been carried out: compression of hat-shaped specimens, torsion of thin walled tubular specimens and in-plane shear tests. The value of the three techniques in studying shear localization is evaluated. Post-mortem analysis of the fracture surface and the materials' microstructure is performed with optical and electron microscopy. In all cases a ductile fracture is observed. SEM and TEM techniques are used to study the local microstructure and composition in the shear band and as such the driving mechanism for the ASB formation. (C) 2011 Published by Elsevier Ltd. Selection and/or peer-review under responsibility of ICM11
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT)
Times cited: 4
DOI: 10.1016/j.proeng.2011.04.386
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“MsSpec-1.0 : a multiple scattering package for electron spectroscopies in material science”. Sébilleau D, Natoli C, Gavaza GM, Zhao H, da Pieve F, Hatada K, Computer physics communications 182, 2567 (2011). http://doi.org/10.1016/j.cpc.2011.07.012
Abstract: We present a multiple scattering package to calculate the cross-section of various spectroscopies namely photoelectron diffraction (PED), Auger electron diffraction (AED), X-ray absorption (XAS), low-energy electron diffraction (LEED) and Auger photoelectron coincidence spectroscopy (APECS). This package is composed of three main codes, computing respectively the cluster, the potential and the cross-section. In the latter case, in order to cover a range of energies as wide as possible, three different algorithms are provided to perform the multiple scattering calculation: full matrix inversion, series expansion or correlation expansion of the multiple scattering matrix. Numerous other small Fortran codes or bash/csh shell scripts are also provided to perform specific tasks. The cross-section code is built by the user from a library of subroutines using a makefile.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.936
Times cited: 6
DOI: 10.1016/j.cpc.2011.07.012
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Van Aert S (2011) Atomen in 3D : Antwerpenaren brengen atomaire structuur nanodeeltjes in beeld. 9
Keywords: Newspaper/Magazine/blog article; Electron microscopy for materials research (EMAT)
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“X-ray spectrometry for preventive conservation of cultural heritage”. Van Grieken R, Worobiec A, Pramåna: a journal of physics 72, 191 (2011). http://doi.org/10.1007/S12043-011-0041-3
Abstract: Analytical chemistry does play a key role in the chemical characterization of the environment and it appears that X-ray spectrometry, in its many forms, is one of the most relevant analytical techniques in preventive conservation, as it is in cultural heritage research in general. X-ray spectrometry has indeed been the method of choice for the characterization of the inorganic composition of atmospheric aerosols, for a long time. We have, over the last decade, intensively used various forms of X-ray spectrometry, viz., mostly energy-dispersive X-ray fluorescence, e.g. with polarized high-energy beam excitation, and automated electron probe X-ray microanalysis, together with other techniques, to identify particle types and their sources in indoor environments, including museums, while gaseous indoor pollutants were assessed using passive diffusion samplers. In each case, both bulk aerosols and individual aerosol particles were studied. For microanalysis of single particles, we have investigated a dozen techniques, but for wide, real-life applications, automated electron probe X-ray microanalysis is the most rewarding. We have first studied atmospheric aerosols in and around the Correr Museum in Venice, many other museums in Austria, Japan and England, and in the caves with prehistoric rock paintings in Altamira, Spain. Very recently, measurements were done in the Metropolitan Museum of Art in New York and theWawel Castle in Cracow, in Italian and Polish mountain churches, in a number of museums in Belgium and the Netherlands, and in cathedrals with medieval stained glass windows. In the Correr museum, it appeared that the particles most threatening for the Bellini paintings were released by the deteriorating plaster renderings, and this could be avoided by simply improving the rendering on the museum walls. In the Wawel Castle, outdoor pollution particles, like fine soot from diesel traffic, entering via leaks in the windows and doors, and also street-deicing salts and coal burning pollution particles, brought in by visitors, mostly in winter, were found to be most worrisome. Urgent questions that are not solved at this moment pertain to the deposition processes from the atmosphere to the cultural heritage items, the critical surface interactions that take place on these items, and the establishment of suitable particle concentration standards.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1007/S12043-011-0041-3
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“Coupling a hydrological water quality model and an economic optimization model to set up a cost-effective emission reduction scenario for nitrogen”. Cools J, Broekx S, Vandenberghe V, Seuntjens P, ea, Environmental modelling and software 26, 44 (2011). http://doi.org/10.1016/J.ENVSOFT.2010.04.017
Abstract: A modelling approach is presented that determines the most cost-effective set of reduction measures to reach an in-stream concentration target. The framework is based on the coupling of two models: the hydrological water quality model SWAT and an economic optimization model (Environmental Costing Model, ECM). SWAT is used to determine the relationship between the modelled in-stream concentration at the river basin outlet and the associated emission reduction. The ECM is used to set up marginal abatement cost curves for nutrients and oxygen demanding substances. Results for nitrogen are presented for the Grote Nete river basin in Belgium for the year 2006. Results show that the good status for total nitrogen can be reached in the study area. The most cost-effective measures are more productive dairy cattle, implementing basic measures as defined in the WFD, winter cover crops, improved efficiency of WWTP, enhanced fodder efficiency for pigs, further treatment of industrial waste water and tuned fertilization. (C) 2010 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.ENVSOFT.2010.04.017
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“High precision measurements of atom column positions using model-based exit wave reconstruction”. de Backer A, Van Aert S, van Dyck D, Ultramicroscopy 111, 1475 (2011). http://doi.org/10.1016/j.ultramic.2011.07.002
Abstract: In this paper, it has been investigated how to measure atom column positions as accurately and precisely as possible using a focal series of images. In theory, it is expected that the precision would considerably improve using a maximum likelihood estimator based on the full series of focal images. As such, the theoretical lower bound on the variances of the unknown atom column positions can be attained. However, this approach is numerically demanding. Therefore, maximum likelihood estimation has been compared with the results obtained by fitting a model to a reconstructed exit wave rather than to the full series of focal images. Hence, a real space model-based exit wave reconstruction technique based on the channelling theory is introduced. Simulations show that the reconstructed complex exit wave contains the same amount of information concerning the atom column positions as the full series of focal images. Only for thin samples, which act as weak phase objects, this information can be retrieved from the phase of the reconstructed complex exit wave.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 8
DOI: 10.1016/j.ultramic.2011.07.002
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“Theory of free electron vortices”. Schattschneider P, Verbeeck J, Ultramicroscopy 111, 1461 (2011). http://doi.org/10.1016/j.ultramic.2011.07.004
Abstract: The recent creation of electron vortex beams and their first practical application motivates a better understanding of their properties. Here, we develop the theory of free electron vortices with quantized angular momentum, based on solutions of the Schrödinger equation for cylindrical boundary conditions. The principle of transformation of a plane wave into vortices with quantized angular momentum, their paraxial propagation through round magnetic lenses, and the effect of partial coherence are discussed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 57
DOI: 10.1016/j.ultramic.2011.07.004
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“Ultra-high resolution electron tomography for materials science : a roadmap”. Batenburg KJ, Bals S, Van Aert S, Roelandts T, Sijbers J, Microscopy and microanalysis 17, 934 (2011). http://doi.org/10.1017/S143192761100554X
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 1.891
DOI: 10.1017/S143192761100554X
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“Three-dimensional atomic imaging of colloidal core-shell nanocrystals”. Bals S, Casavola M, van Huis MA, Van Aert S, Batenburg KJ, Van Tendeloo G, Vanmaekelbergh D, Nano letters 11, 3420 (2011). http://doi.org/10.1021/nl201826e
Abstract: Colloidal coreshell semiconductor nanocrystals form an important class of optoelectronic materials, in which the exciton wave functions can be tailored by the atomic configuration of the core, the interfacial layers, and the shell. Here, we provide a trustful 3D characterization at the atomic scale of a free-standing PbSe(core)CdSe(shell) nanocrystal by combining electron microscopy and discrete tomography. Our results yield unique insights for understanding the process of cation exchange, which is widely employed in the synthesis of coreshell nanocrystals. The study that we present is generally applicable to the broad range of colloidal heteronanocrystals that currently emerge as a new class of materials with technological importance.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 12.712
Times cited: 121
DOI: 10.1021/nl201826e
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“Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals”. Grodzinska D, Pietra F, van Huis MA, Vanmaekelbergh D, de Mello Donegá, C, Journal of materials chemistry 21, 11556 (2011). http://doi.org/10.1039/c0jm04458j
Abstract: The properties of hetero-nanocrystals (HNCs) depend strongly on the mutual arrangement of the nanoscale components. In this work we have investigated the structural and morphological evolution of colloidal PbSe/CdSe core/shell quantum dots upon annealing under vacuum. Prior to annealing the PbSe core has an approximately octahedral morphology with eight {111} facets, and the CdSe shell has zinc-blende crystal structure. Thermal annealing under vacuum at temperatures between 150 °C and 200 °C induces a structural and morphological reconstruction of the HNCs whereby the PbSe core and the CdSe shell are reorganized into two hemispheres joined by a common {111} Se plane. This thermally induced reconstruction leads to considerable changes in the optical properties of the colloidal PbSe/CdSe HNCs.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 44
DOI: 10.1039/c0jm04458j
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“Three-dimensional ferromagnetic architectures with multiple metastable states”. Nasirpouri F, Engbarth MA, Bending SJ, Peter LM, Knittel A, Fangohr H, Milošević, MV, Applied physics letters 98, 222506 (2011). http://doi.org/10.1063/1.3595339
Abstract: We demonstrate controllable dual-bath electrodeposition of nickel on architecture-tunable three-dimensional (3D) silver microcrystals. Magnetic hysteresis loops of individual highly faceted Ag-Ni core-shell elements reveal magnetization reversal that comprises multiple sharp steps corresponding to different stable magnetic states. Finite-element micromagnetic simulations on smaller systems show several jumps during magnetization reversal which correspond to transitions between different magnetic vortex states. Structures of this type could be realizations of an advanced magnetic data storage architecture whereby each element represents one multibit, storing a combination of several conventional bits depending on the overall number of possible magnetic states associated with the 3D core-shell shape.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 8
DOI: 10.1063/1.3595339
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