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“Experimental and computational investigation of graphene/SAMs/n-Si Schottky diodes”. Aydin H, Bacaksiz C, Yagmurcukardes N, Karakaya C, Mermer O, Can M, Senger RT, Sahin H, Selamet Y, Applied Surface Science 428, 1010 (2018). http://doi.org/10.1016/J.APSUSC.2017.09.204
Abstract: We have investigated the effect of two different self-assembled monolayers (SAMs) on electrical characteristics of bilayer graphene (BLG)/n-Si Schottky diodes. Novel 4“bis(diphenylamino)-1, 1':3”-terpheny1-5' carboxylic acids (TPA) and 4,4-di-9H-carbazol-9-y1-1,1':3'1'-terpheny1-5' carboxylic acid (CAR) aromatic SAMs have been used to modify n-Si surfaces. Cyclic voltammetry (CV) and Kelvin probe force microscopy (KPFM) results have been evaluated to verify the modification of n-Si surface. The current-voltage (I-V) characteristics of bare and SAMs modified devices show rectification behaviour verifying a Schottky junction at the interface. The ideality factors (n) from ln(I)-V dependences were determined as 2.13,1.96 and 2.07 for BLG/n-Si, BLG/TPA/n-Si and BLG/CAR/n-Si Schottky diodes, respectively. In addition, Schottky barrier height (SBH) and series resistance (Rs) of SAMs modified diodes were decreased compared to bare diode due to the formation of a compatible interface between graphene and Si as well as n-n interaction between aromatic SAMs and graphene. The CAR-based device exhibits better diode characteristic compared to the TPA-based device. Computational simulations show that the BLG/CAR system exhibits smaller energy-level-differences than the BLG/TPA, which supports the experimental findings of a lower Schottky barrier and series resistance in BLG/CAR diode. (C) 2017 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.387
Times cited: 2
DOI: 10.1016/J.APSUSC.2017.09.204
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“The role of the electrode surface in Na-Air batteries : insights in electrochemical product formation and chemical growth of NaO2”. Lutz L, Corte DAD, Chen Y, Batuk D, Johnson LR, Abakumov A, Yate L, Azaceta E, Bruce PG, Tarascon J-M, Grimaud A, Advanced energy materials 8, 1701581 (2018). http://doi.org/10.1002/AENM.201701581
Abstract: The Na-air battery, because of its high energy density and low charging overpotential, is a promising candidate for low-cost energy storage, hence leading to intensive research. However, to achieve such a battery, the role of the positive electrode material in the discharge process must be understood. This issue is herein addressed by exploring the electrochemical reduction of oxygen, as well as the chemical formation and precipitation of NaO2 using different electrodes. Whereas a minor influence of the electrode surface is demonstrated on the electrochemical formation of NaO2, a strong dependence of the subsequent chemical precipitation of NaO2 is identified. In the origin, this effect stems from the surface energy and O-2/O-2(-) affinity of the electrode. The strong interaction of Au with O-2/O-2(-) increases the nucleation rate and leads to an altered growth process when compared to C surfaces. Consequently, thin (3 mu m) flakes of NaO2 are found on Au, whereas on C large cubes (10 mu m) of NaO2 are formed. This has significant impact on the cell performance and leads to four times higher capacity when C electrodes with low surface energy and O-2/O-2(-) affinity are used. It is hoped that these findings will enable the design of new positive electrode materials with optimized surfaces.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 16.721
Times cited: 13
DOI: 10.1002/AENM.201701581
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“The impact of policy on microgrid economics : a review”. Milis K, Peremans H, Van Passel S, Renewable &, Sustainable Energy Reviews 81, 3111 (2018). http://doi.org/10.1016/J.RSER.2017.08.091
Abstract: This paper investigates the impact of government policy on the optimal design of microgrid systems from an economic cost minimisation perspective, and provides both an overview of the current state of the art of the field, as well as highlighting possible avenues of future research. Integer programming, to select microgrid components and to economically dispatch these components, is the optimisation method of choice in the literature. Using this methodology, a broad range of policy topics is investigated: impact of carbon taxation, economic incentives and mandatory emissions reduction or mandatory minimum percentage participation of renewables in local generation. However, the impact of alternative tariff systems, such as capacity tariffs are still unexplored. Additionally, the investigated possible benefits of microgrids are confined to emissions reduction and a possible decrease in total energy procurement costs. Possible benefits such as increased security of supply, increased power quality or energy independence are not investigated yet. Under the expected policy measures the optimal design of a microgrid will be based on a CHP-unit to provide both heat and electricity, owning to the lower capital costs associated with CHP-units when compared to those associated with renewable technologies. This means that current economic analyses indicate that the adoption of renewable energy sources within microgrids is not economically rational.
Keywords: A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Impact Factor: 8.05
Times cited: 11
DOI: 10.1016/J.RSER.2017.08.091
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“Frozen lattice and absorptive model for high angle annular dark field scanning transmission electron microscopy : a comparison study in terms of integrated intensity and atomic column position measurement”. Alania M, Lobato Hoyos IP, Van Aert S, Ultramicroscopy 184, 188 (2018). http://doi.org/10.1016/J.ULTRAMIC.2017.08.021
Abstract: <script type='text/javascript'>document.write(unpmarked('In this paper, both the frozen lattice (FL) and the absorptive potential (AP) approximation models are compared in terms of the integrated intensity and the precision with which atomic columns can be located from an image acquired using high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM). The comparison is made for atoms of Cu, Ag, and Au. The integrated intensity is computed for both an isolated atomic column and an atomic column inside an FCC structure. The precision has been computed using the so-called Cramer-Rao Lower Bound (CRLB), which provides a theoretical lower bound on the variance with which parameters can be estimated. It is shown that the AP model results into accurate measurements for the integrated intensity only for small detector ranges under relatively low angles and for small thicknesses. In terms of the attainable precision, both methods show similar results indicating picometer range precision under realistic experimental conditions. (C) 2017 Elsevier B.V. All rights reserved.'));
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
DOI: 10.1016/J.ULTRAMIC.2017.08.021
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“A comparison of floating-electrode DBD and kINPen jet : plasma parameters to achieve similar growth reduction in colon cancer cells under standardized conditions”. Bekeschus S, Lin A, Fridman A, Wende K, Weltmann K-D, Miller V, Plasma chemistry and plasma processing 38, 1 (2018). http://doi.org/10.1007/S11090-017-9845-3
Abstract: A comparative study of two plasma sources (floating-electrode dielectric barrier discharge, DBD, Drexel University; atmospheric pressure argon plasma jet, kINPen, INP Greifswald) on cancer cell toxicity was performed. Cell culture protocols, cytotoxicity assays, and procedures for assessment of hydrogen peroxide (H2O2) were standardized between both labs. The inhibitory concentration 50 (IC50) and its corresponding H2O2 deposition was determined for both devices. For the DBD, IC50 and H2O2 generation were largely dependent on the total energy input but not pulsing frequency, treatment time, or total number of cells. DBD cytotoxicity could not be replicated by addition of H2O2 alone and was inhibited by larger amounts of liquid present during the treatment. Jet plasma toxicity depended on peroxide generation as well as total cell number and amount of liquid. Thus, the amount of liquid present during plasma treatment in vitro is key in attenuating short-lived species or other physical effects from plasmas. These in vitro results suggest a role of liquids in or on tissues during plasma treatment in a clinical setting. Additionally, we provide a platform for correlation between different plasma sources for a predefined cellular response.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.355
Times cited: 12
DOI: 10.1007/S11090-017-9845-3
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“Digitally reconstructing Van Gogh's Field with Irises near Arles. Part 2: Pigment concentration maps”. Kirchner E, van der Lans I, Ligterink F, Geldof M, Gaibor ANP, Hendriks E, Janssens K, Delaney J, Color research and application 43, 158 (2018). http://doi.org/10.1002/COL.22164
Abstract: Colors in many paintings of great art historical value have changed over time, due to the combined effects of natural ageing, accumulated surface grime, and materials added during later conservation treatments. The physical restoration of the colors in such paintings is not possible. This article describes one part of work done to digitally restore the colors of Van Gogh's painting Field with Irises near Arles, dating from May 1888. We have used multispectral reflectance data to estimate absorption K and backscattering S parameters of Kubelka-Munk 2-constant theory. This was done for all 13 pigments known to have been used by Van Gogh in this painting, and based on this the concentration maps for each of these pigments were calculated. We validated the calculated concentration maps in several ways. For some pigments, we were able to predict spots on the painting where the pigment is expected to occur in unmixed form based on visual examination. For several other pigments, the concentration maps could be shown to agree with XRF data. Finally, for some other pigments the concentration maps were supported by additional evidence from microscopic examinations, remarks in Van Gogh's letters and from early color reproductions. For the 1.7 million pixels for which multispectral data is available, the average color difference between the calculated and measured spectral reflectance curves is CIEDE2000 = 1.05. This further confirms that the Kubelka-Munk calculations are well suited to describe the variety of spectral reflectance on the painting.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 0.798
Times cited: 4
DOI: 10.1002/COL.22164
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“Social sustainability assessments in the biobased economy : towards a systemic approach”. Rafiaani P, Kuppens T, Van Dael M, Azadi H, Lebailly P, Van Passel S, Renewable &, Sustainable Energy Reviews 82, 1839 (2018). http://doi.org/10.1016/J.RSER.2017.06.118
Abstract: The majority of impact assessments for the biobased economy are primarily focused on the environmental and (techno-)economic aspects, while social aspects are rarely considered. This study proposes a modified systemic approach for a social sustainability impact assessment of the biobased economy, based on a review on the common methodologies for assessing social impacts. Accordingly, the proposed approach follows the four general iterative steps of social life cycle analysis (SLCA) as it considers all life cycle phases of the biobased economy. The systemic approach considers the potential social impacts on local communities, workers, and consumers as the main three groups of the stakeholders. The review showed that the most common social indicators for inventory analysis within the biobased economy include health and safety, food security, income, employment, land- and worker-related concerns, energy security, profitability, and gender issues. Multi-criteria decision analysis (MCDA) was also highlighted as the broadly utilized methodology for aggregating the results of impact assessments within the biobased economy. Taking a life cycle perspective, this study provides a holistic view of the full sustainability of research, design, and innovation in the biobased economy by suggesting the integration of the social aspects with techno-economic and an environmental life cycle assessment. Our proposed systemic approach makes possible to integrate the social impacts that are highly valued by the affected stakeholders into the existing sustainability models that focus only on environmental and techno-economic aspects. We discuss the steps of the proposed systemic approach in order to identify the challenges of applying them within the biobased economy. These challenges refer mainly to the definition of the functional unit and system boundaries, the selection and the analysis of social indicators (inventory analysis), the aggregation of the inventory to impact categories, and the uncertainties associated with the social sustainability evaluation. The result of this review and the proposed systemic approach serve as a foundation for industry and policy makers to gain a better insight into the importance of social sustainability impacts assessment within the biobased economy.
Keywords: A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Impact Factor: 8.05
Times cited: 28
DOI: 10.1016/J.RSER.2017.06.118
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“Effects of supply chain management on tomato export in Iran : application of structural equation modeling”. Fatemi M, Azadi H, Rafiaani P, Taheri F, Dubois T, Van Passel S, Witlox F, Journal of food products marketing 24, 177 (2018). http://doi.org/10.1080/10454446.2017.1266552
Abstract: Although Iran is one of the top 10 countries in the world that produce tomatoes, the level that they are exported into the global market is low. This issue may have resulted from a major problem within tomatoes supply chain management. This paper aims to develop an empirical model of the supply chain management (SCM) of tomato companies. Throughout the reviewed literature, a SCM construct with different six indicators has been developed, including information sharing, long-term relationship, cooperation, quality, flexibility, and delivery. In this study, the influence of the SCM components on tomato export was identified through the use of empirical data that were collected from 20 different tomato companies in Northeast Iran. Using structural equation modeling, the major elements of SCM were found to have significant impacts on the export of tomatoes. The results also showed that information sharing, cooperation, flexibility, quality, and delivery had significant positive effects on the export of tomatoes.
Keywords: A1 Journal article; Economics; Engineering Management (ENM); Government and Law
Times cited: 2
DOI: 10.1080/10454446.2017.1266552
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“The idea of weak sustainability is illegitimate”. Biely K, Maes D, Van Passel S, Environment, development and sustainability 20, 223 (2018). http://doi.org/10.1007/S10668-016-9878-4
Abstract: Since the introduction of the sustainability challenge, scientists disagree over the interpretation of the term sustainability. Weak and strong sustainability are the two main interpretations of sustainability, which are opposing each other. Some researchers stated that the interpretation of the term depends on the context; others disagree pointing out that it always implies the meaning of continuation. The term sustainability can be used as attribute, which adds a certain characteristic to the noun. If something can be attributed as being sustainable, it can also be unsustainable. The sustainability challenge consists of shifting from the current unsustainable towards a sustainable system. This paper outlines that the weak sustainability term is illegitimate, as it leads to a contradiction with the acknowledged assumption that the current state is unsustainable. This contradiction is revealed through an analysis of the occurrence of decoupling in agriculture: Agricultural land use could be decoupled from agricultural production, but only with the trade-off of massive increases in fertilizer, pesticide, energy and water usage. This paper outlines an inherent inconsistency within the ongoing discussion about the interpretation of sustainability. Through identifying the invalidity of the weak sustainability interpretation the focus can be shifted form the discourse to the sustainability challenge itself.
Keywords: A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Times cited: 1
DOI: 10.1007/S10668-016-9878-4
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“Space-time information analysis for resource-conscious urban planning and design : a stakeholder based identification of urban metabolism data gaps”. Voskamp IM, Spiller M, Stremke S, Bregt AK, Vreugdenhil C, Rijnaarts HHM, Resources, conservation and recycling 128, 516 (2018). http://doi.org/10.1016/J.RESCONREC.2016.08.026
Abstract: The research presented here examined at which spatial and temporal resolution urban metabolism should be analysed to generate results that are useful for implementation of urban planning and design interventions aiming at optimization of resource flows. Moreover, it was researched whether a lack of data currently hampers analysing resource flows at this desired level of detail. To facilitate a stakeholder based research approach, the SIRUP tool Space-time Information analysis for Resource-conscious Urban Planning was developed. The tool was applied in a case study of Amsterdam, focused on the investigation of energy and water flows. Results show that most urban planning and design interventions envisioned in Amsterdam require information on a higher spatiotemporal resolution than the resolution of current urban metabolism analyses, i.e., more detailed than the city level and at time steps smaller than a year. Energy-related interventions generally require information on a higher resolution than water-related interventions. Moreover, for the majority of interventions information is needed on a higher resolution than currently available. For energy, the temporal resolution of existing data proved inadequate, for water, data with both a higher spatial and temporal resolution is required. Modelling and monitoring techniques are advancing for both water and energy and these advancements are likely to contribute to closing these data gaps in the future. These advancements can also prove useful in developing new sorts of urban metabolism analyses that can provide a systemic understanding of urban resource flows and that are tailored to urban planning and design.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.RESCONREC.2016.08.026
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“Numerical simulation on particle density and reaction pathways in methane needle-plane discharge plasma at atmospheric pressure”. Yue-Feng Z, Chao W, Wang W-Z, Li L, Hao S, Tao S, Jie P, Wuli xuebao 67, 085202 (2018). http://doi.org/10.7498/APS.67.20172192
Abstract: Methane needle-plane discharge has practical application prospect and scientific research significance since methane conversion heavy oil hydrogenation is formed by coupling methane needle-plane discharge with heavy oil hydrogenation, which can achieve high-efficient heavy oil hydrogenation and increase the yields of high value-added light olefins. In this paper, a two-dimensional fluid model is built up for numerically simulating the methane needle-plane discharge plasma at atmospheric pressure. Spatial and axial distributions of electric intensity, electron temperature and particle densities are obtained. Reaction yields are summarized and crucial pathways to produce various kinds of charged and neutral particles are found out. Simulation results indicate that axial evolutions of CH3+ and CH4+ densities, electric intensity and electron temperature are similar and closely related. The CH5+ and C2H5+ densities first increase and then decrease along the axial direction. The CH3 and H densities have nearly identical spatial and axial distributions. Particle density distributions of CH2, C2H4 and C2H5 are obviously different in the area near the cathode but comparatively resemblant in the positive column region. The CH3+ and CH4+ are produced by electron impact ionizations between electrons and CH4. The CH5+ and C2H5+ are respectively generated by molecular impact dissociations between CH3+ and CH4 and between CH4+ and CH4. Electron impact decomposition between electrons and CH4 is a dominated reaction to produce CH3, CH2, CH and H. The reactions between CH2 and CH4 and between electrons and C2H4 are critical pathways to produce C2H4 and C2H2, respectively. In addition, the yields of electron impact decomposition reactions between electrons and CH4 and reactions between CH2 and CH4 account for 52.15% and 47.85% of total yields of H-2 respectively.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 0.624
DOI: 10.7498/APS.67.20172192
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“Titanium (germano-)silicides featuring 10-9 Ω.cm2 contact resistivity and improved compatibility to advanced CMOS technology”. Yu H, Schaekers M, Chew SA, Eyeraert J-L, Dabral A, Pourtois G, Horiguchi N, Mocuta D, Collaert N, De Meyer K, 2018 18th International Workshop On Junction Technology (iwjt) , 80 (2018)
Abstract: uIn this work, we discuss three novel Ti (germano-)silicidation techniques featuring respectively the pre-contact amorphization implantation (PCAI), the TiSi co-deposition, and Ti atomic layer deposition (ALD). All three techniques form TiSix(Ge-y) contacts with ultralow contact resistivity (rho(c)) of (1-3)x10(-9) Omega.cm(2) on both highly doped n-Si and p-SiGe substrates: these techniques meet rho(c) requirement of 5-14 nm CMOS technology and feature unified CMOS contact solutions. We further discuss the compatibility of these techniques to the realistic CMOS transistor fabrication.
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“The patron of Hieronymus Bosch's 'Last Judgment' triptych in Vienna”. Koldeweij J, Hoogstede L, Ilsink M, Janssens K, De Keyser N, Gotink RK, Legrand S, Nauhaus JM, van der Snickt G, Spronk R, The Burlington magazine 160, 106 (2018)
Abstract: A technical examination of the Last Judgment triptych by Hieronymus Bosch in the Paintings Gallery of the Academy of Fine Arts, Vienna, has revealed a painted escutcheon with the coat of arms of the Burgundian court official Hippolyte de Berthoz underneath the current surface of the right outer wing. This allows him to be firmly identified as the painting's patron.
Keywords: A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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Asapu R (2018) A study of plasmonic systems using Layer-by-Layer synthesized core-shell nanoparticles. 142 p
Keywords: Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
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“The process of cutting GMLmn bodies with dm-knives”. Tavkhelidze I, Gielis J, Sn –, 1512-0066 32, 67 (2018)
Keywords: A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
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Stosic D (2018) Numerical simulations of magnetic skyrmions in atomically-thin ferromagnetic films. 153 p
Abstract: Moore’s Law has driven the electronics industry for the past half century. However, the doubling of transistors about every two years is beginning to break down, owing to fundamental limits that arise as they approach the atomic length. As a result, the search for new pathways for electronics has become crucial. Among potential candidates, the discovery of magnetic textures known as skyrmions has attracted considerable interest and attention in spintronic technology, which relies on both the electron charge and its spin. The unusual topological and particle-like behavior launched skyrmions into the spotlight of scientific research. Topological protected stability, nanoscale size, and low driving currents needed to move them make skyrmions promising candidates for future consumer nanoelectronics. Recent advances in the field have provided all of the basic functions needed for carrying and processing information. In this thesis, we procure to advance the current understanding of skyrmion physics, and explore their potential to replace conventional electronics technology. First, the fundamental properties and lifetimes of racetrack skyrmions at room temperature are investigated. We discover that skyrmions can easily collapse at the boundary in laterally finite systems, and propose ways to improve their stability for constrained geometries. Then, pinning of single skyrmions on atomic defects of distinct origins are studied. We reveal that the preferred pinning positions depend on the skyrmion size and type of defect being considered, and discuss applications where control of skyrmions by defects is of particular interest. Next, we explore other magnetic configurations that can compete with skyrmions when considering new materials, and describe a previously unseen mechanism for collapse of skyrmions into cycloidal spin backgrounds. Finally, switching and interactions between skyrmions with distinct topologies are reported. We find that skyrmions transition to higher or lower topologies by absorbing a unit spin texture. The interactions between skyrmions of different topological charges can be attractive or repulsive, leading to the formation of arranged clusters. We conclude with a numerical library for simulating magnetic skyrmions in various scenarios.
Keywords: Doctoral thesis; Condensed Matter Theory (CMT)
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“Metallic ceramics for low resitivity interconnects : an ab initio insight”. Sankaran K, Moors K, Dutta S, Adelmann C, Tokei Z, Pourtois G, Proceedings of the IEEE ... International Interconnect Technology Conference
T2 –, IEEE International Interconnect Technology Conference (IITC), JUN 04-07, 2018, Santa Clara, CA , 160 (2018)
Abstract: The scalability potential of low resistivity ternary metallic alloys (MAX) as an interconnect medium has been benchmarked against copper through first-principle simulations. We report that some carbon and nitrogen MAX phases have the potential to display a reduced sensitivity of their intrinsic resistivity to scaling, while showing improved electromigration properties.
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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Samaee V (2018) In-situ transmission electron microscopic nanomechanical investigations of Ni. 172 p
Keywords: Doctoral thesis; Electron microscopy for materials research (EMAT)
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Stosic D (2018) High-performance Ginzburg-Landau simulations of superconductivity. 166 p
Abstract: Superconductivity is one of the most important discoveries of the last century. With many applications in physics, engineering, and technology, superconductors are crucial to our way of living. Several material and engineering issues however prevent their widespread usage in everyday life. Comprehensive studies are being directed at these materials and their properties to come up with new technologies that will address these challenges and enhance their superconductive capabilities. In this context, numerical modeling plays an important role in the search of new solutions to existing material and engineering issues. The time-dependent Ginzburg-Landau (TDGL) theory is a powerful predictive tool for modeling the macroscopic behavior of superconductors. However most of the numerical algorithms developed so far are incapable of describing many basic properties of real superconducting devices, and are too slow on current hardware for large-scale numerical simulations necessary for their accurate description. Therefore, the purpose of this thesis is to develop high-performing numerical solutions that can correctly describe material features to be used as modeling tools of laboratory experiments. Some important innovations introduced in this work include the numerical modeling of nonrectangular geometrical shapes with complex electrical and insulating components, the inclusion of dynamic heating of the material, and the description of different types of material inhomogeneities. These encompass the principal features necessary for a complete description of the superconductive physics in real material samples. In this thesis a numerical solution is developed for modeling superconducting thin films and used to study the superconductive properties of three experimental configurations: the dynamics of vortex matter in a Corbino disk, the motion of ultrafast vortices in an hourglass-shaped microbridge, and the photon detection process in a meander-patterned nanowire. Moreover, a numerical solution is developed for modeling three-dimensional superconductors which are studied here for the first time in the type-I superconducting regime. These numerical algorithms are optimized to exploit the computational horsepower of graphics processing units (GPUs) and multicore central-processing unit (CPU) clusters such that they can achieve high-performance and be used to model large-scale problems previously impossible on conventional machines. Several computational tools are also designed to assist with the modeling of superconducting devices. These include a numerical library of the TDGL equations, a novel mechanism for the generation of complex geometries, a closed-form solver to conduct numerical simulations, and a graphics user interface (GUI) to visualize the dynamic behavior of superconductors. The contributions in this thesis ultimately push the boundaries on what is possible in state-of-the-art numerical modeling of superconductivity.
Keywords: Doctoral thesis; Condensed Matter Theory (CMT)
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“First-principles perspective on poling mechanisms and ferroelectric/antiferroelectric behavior of Hf1-xZrxO2 for FEFET applications”. Clima S, McMitchell SRC, Florent K, Nyns L, Popovici M, Ronchi N, Di Piazza L, Van Houdt J, Pourtois G, 2018 Ieee International Electron Devices Meeting (iedm) (2018)
Abstract: We investigate at the atomic level the most probable phase transformations under strain, that are responsible for the ferroelectric/ antiferroelectric behavior in Hf1-xZrxO2 materials. Four different crystalline phase transformations exhibit a polar/non-polar transition: monoclinic-to-orthorhombic requires a gliding strain tensor, orthorhombic-to-orthorhombic transformation does not need strain to polarize the material, whereas tetragonal-to-cubic cell compression and tetragonal-to-orthorhombic cell elongation destabilizes the non-polar tetragonal phase, facilitating the transition towards a polar atomic configuration, therefore changing the polarization-electric field loop from antiferroelectric to ferroelectric. Oxygen vacancies can reduce drastically the polarization reversal barriers.
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Evidence of magnetostrictive effects on STT-MRAM performance by atomistic and spin modeling”. Sankaran K, Swerts J, Carpenter R, Couet S, Garello K, Evans RFL, Rao S, Kim W, Kundu S, Crotti D, Kar GS, Pourtois G, 2018 Ieee International Electron Devices Meeting (iedm) (2018)
Abstract: For the first time, we demonstrate, using an atomistic description of a 30nm diameter spin-transfer-torque magnetic random access memories (STT-MRAM), that the difference in mechanical properties of its sub-nanometer layers induces a high compressive strain in the magnetic tunnel junction (MTJ) and leads to a detrimental magnetostrictive effect. Our model explains the issues met in engineering the electrical and magnetic performances in scaled STT-MRAM devices. The resulting high compressive strain built in the stack, particularly in the MgO tunnel barrier (t-MgO), and its associated non-uniform atomic displacements, impacts on the quality of the MTJ interface and leads to strain relieve mechanisms such as surface roughness and adhesion issues. We illustrate that the strain gradient induced by the different materials and their thicknesses in the stacks has a negative impact on the tunnel magneto-resistance (TMR), on the magnetic nucleation process and on the STT-MRAM performance.
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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Rahemi V (2018) Electrosensing applications by using titania as a support for bio(inspired) molecules. 133 p
Keywords: Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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Grubova IY (2018) Density functional theory study of interface interactions in hydroxyapatite/rutile composites for biomedical applications. 251 p
Keywords: Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Enhanced landfill mining at the REMO site : assessing stakeholders' perspectives for implementation”. Einhäupl P, Krook J, Svensson N, Van Acker K, Van Passel S, Proceedings of the 4th International Symposium on Enhanced Landfill Mining, February 5-6, 2018, Mechelen, Belgium / Jones, Peter Tom [edit.], Machiels, Lieven [edit.] (2018)
Keywords: P3 Proceeding; Engineering sciences. Technology; Engineering Management (ENM)
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“Technoques and applications of Surface-Enhanced Raman Scattering Spectroscopy (SERSS) focused on cultural heritage”. Kuckova S, Hamidi-Asl E, Matulkova I, Hynek R, De Wael K, Sanyova J, Janssens K, Chemické, listy 112, 312 (2018)
Abstract: The review is devoted to a modern method of vibrational spectroscopy – surface enhanced Raman spectroscopy Its principle and some of its special variants (imunnoSERS and TERS (Tip-Enhanced Raman Spectroscopy)) are described m a simpinified manner Wide application possibilities are demonstrated on selected examples from its application m culturinl heritage.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 0.387
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“Sublayer composition evaluation of Artwork using active thermography”. Steenackers G, Peeters J, Janssens K, Quantitative infrared thermography
T2 –, QIRT 2018 : 14th Quantitative InfraRed Thermography Conference , 503 (2018)
Abstract: Infrared artwork inspection is typically performed through active thermography and infrared reflectography (IRR) with different setups and cameras. While IRR is an established technique in the museum field, exploiting mainly the IR-A (0.7 – 1.4 mu m) band to probe for hidden layers and modifications within the paint stratigraphy system, active thermography operating in the IR-C range (3 -5 mu m) is less frequently employed with the aim to visualize structural defects and features deeper inside the build-up. In this work, we investigate the usability of an IR-B+C system to identify overpainted works of art below a relatively thick absorbing layer of lead white paint.
Keywords: P1 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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Domingos JLC (2018) Study of colloidal systems of anisotropic magnetic particles. 114 p
Keywords: Doctoral thesis; Condensed Matter Theory (CMT)
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Saberi-Pouya S (2018) Many body properties in monolayer and doublelayer black phosphorus. 148 p
Keywords: Doctoral thesis; Condensed Matter Theory (CMT)
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“Machine Learning for Fast Characterization of Magnetic Logic Devices”. Kaintura A, Foss K, Couckuyt I, Dhaene T, Zografos O, Vaysset A, Sorée B, (edaps 2018) (2018)
Abstract: Non-charge-based logic devices are promising candidates for future logic circuits. Interest in studying and developing these devices has grown dramatically in the past decade as they possess key advantages over conventional CMOS technology. Due to their novel designs, a large number of micromagnetic simulations are required to fully characterize the behavior of these devices. The number and complexity of these simulations place large computational requirements on device development. We use state-of-the-art machine learning techniques to expedite identification of their behavior. Several intelligent sampling strategies are combined with machine learning multi-class classification models. These techniques are applied to a recently developed exchange-driven magnetic logic scheme that utilizes direct exchange coupling as the main driver.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
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Ribeiro Gomes R (2018) The first order equations for the Ginzburg-Landau theory and the vortex states near a permalloy disk. 220 p
Keywords: Doctoral thesis; Condensed Matter Theory (CMT)
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