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Author Wittner, N.; Gergely, S.; Slezsák, J.; Broos, W.; Vlaeminck, S.E.; Cornet, I.
Title Follow-up of solid-state fungal wood pretreatment by a novel near-infrared spectroscopy-based lignin calibration model Type A1 Journal article
Year 2023 Publication Journal of microbiological methods Abbreviated Journal
Volume 208 Issue Pages 106725-106727
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE)
Abstract Lignin removal plays a crucial role in the efficient bioconversion of lignocellulose to fermentable sugars. As a delignification process, fungal pretreatment has gained great interest due to its environmental friendliness and low energy consumption. In our previous study, a positive linear correlation between acid-insoluble lignin degradation and the achievable enzymatic saccharification yield has been found, hereby highlighting the importance of the close follow-up of lignin degradation during the solid-state fungal pretreatment process. However, the standard quantification of lignin, which relies on the two-step acid hydrolysis of the biomass, is highly laborious and time-consuming. Vibrational spectroscopy has been proven as a fast and easy alternative; however, it has not been extensively researched on lignocellulose subjected to solid-state fungal pretreatment. Therefore, the present study examined the suitability of near-infrared spectroscopy (NIR) for the rapid and easy assessment of lignin content in poplar wood pretreated with Phanerochaete chrysosporium. Furthermore, the predictive power of the obtained calibration model and the recently published ATR-FTIR spectroscopy-based model were compared for the first time using the same fungus-treated wood data set. PLSR was used to correlate the NIR spectra to the acid-insoluble lignin contents (19.9%-27.1%) of pretreated wood. After normalization and second derivation, a PLSR model with a good coefficient of determination (RCV2 = 0.89) and a low root mean square error (RMSECV = 0.55%) were obtained despite the heterogeneous nature of the fungal solid-state fermentation. The performance of this PLSR model was comparably good to the one obtained by ATR-FTIR (RCV2 = 0.87) while it required more extensive spectral pre-processing. In conclusion, both methods will be highly useful for the high-throughput and user-friendly monitoring of lignin degradation in a solid-state fungal pretreatment-based biorefinery concept.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000983287400001 Publication Date (up) 2023-04-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0167-7012 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.2 Times cited Open Access
Notes Approved Most recent IF: 2.2; 2023 IF: 1.79
Call Number UA @ admin @ c:irua:195814 Serial 9038
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Author Shi, P.; Gielis, J.; Niklas, K.J.; Niinemets, Ü.; Schrader, J.
Title Leaf functional traits : ecological and evolutionary implications Type ME3 Book as editor
Year 2023 Publication Abbreviated Journal
Volume Issue Pages 185 p.
Keywords ME3 Book as editor; Sustainable Energy, Air and Water Technology (DuEL)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date (up) 2023-04-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-2-8325-2086-4; 1664-8714 Additional Links UA library record
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:198002 Serial 8894
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Author Broers, F.T.H.; Janssens, K.; Weker, J.N.; Webb, S.M.; Mehta, A.; Meirer, F.; Keune, K.
Title Two pathways for the degradation of orpiment pigment (As₂S₃) found in paintings Type A1 Journal article
Year 2023 Publication Journal of the American Chemical Society Abbreviated Journal
Volume 145 Issue 16 Pages 8847-8859
Keywords A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract Paintings are complex objects containing many different chemical compounds that can react over time. The degradation of arsenic sulfide pigments causes optical changes in paintings. The main degradation product was thought to be white arsenolite (As2O3), but previous research also showed the abundant presence of As(V) species. In this study, we investigate the influence of the presence of a medium on the degradation mechanism of orpiment (As2S3) using synchrotron radiation (SR)-based tomographic transmission X-ray microscopy, SR-based micro-X-ray fluorescence, and Xray absorption near edge structure spectroscopy. Upon direct illumination of dry orpiment powder using UV-visible light, only the formation of As2O3 was observed. When As2S3 was surrounded by a medium and illuminated, As2O3 was only observed in the area directly exposed to light, while As(V) degradation species were found elsewhere in the medium. Without accelerated artificial light aging, As(V)(aq) species are formed and migrate throughout the medium within weeks after preparation. In both scenarios, the As(V) species form via intermediate As(III)(aq) species and the presence of a medium is necessary. As(V)(aq) species can react with available cations to form insoluble metal arsenates, which induces stress within the paint layers (leading to, e.g., cracks and delamination) or can lead to a visual change of the image of the painting.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000974346900001 Publication Date (up) 2023-04-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 15 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 15; 2023 IF: 13.858
Call Number UA @ admin @ c:irua:196762 Serial 8948
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Author Linard, F.J.A.; Moura, V.N.; Covaci, L.; Milošević, M.V.; Chaves, A.
Title Wave-packet scattering at a normal-superconductor interface in two-dimensional materials : a generalized theoretical approach Type A1 Journal article
Year 2023 Publication Physical review B Abbreviated Journal
Volume 107 Issue 16 Pages 165306-165309
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract A wave-packet time evolution method, based on the split-operator technique, is developed to investigate the scattering of quasiparticles at a normal-superconductor interface of arbitrary profile and shape. As a practical application, we consider a system where low-energy electrons can be described as Dirac particles, which is the case for most two-dimensional materials, such as graphene and transition-metal dichalcogenides. However, the method is easily adapted for other cases such as electrons in few-layer black phosphorus or any Schrodinger quasiparticles within the effective mass approximation in semiconductors. We employ the method to revisit Andreev reflection in mono-, bi-, and trilayer graphene, where specular-and retro-reflection cases are observed for electrons scattered by a steplike superconducting region. The effect of opening a zero-gap channel across the superconducting region on the electron and hole scattering is also addressed, as an example of the versatility of the technique proposed here.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000974675700006 Publication Date (up) 2023-04-14
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 3.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.7; 2023 IF: 3.836
Call Number UA @ admin @ c:irua:196709 Serial 8954
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Author Wang, J.; Zhang, K.; Meynen, V.; Bogaerts, A.
Title Dry reforming in a dielectric barrier discharge reactor with non-uniform discharge gap : effects of metal rings on the discharge behavior and performance Type A1 Journal article
Year 2023 Publication Chemical engineering journal Abbreviated Journal
Volume Issue Pages 142953-29
Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The application of dielectric barrier discharge (DBD) plasma reactors is promising in various environmental and energy processes, but is limited by their low energy yield. In this study, we put a number of stainless steel rings over the inner electrode rod of the DBD reactor to change the local discharge gap and electric field, and we studied the dry reforming performance. At 50 W supplied power, the metal rings mostly have a negative impact on the performance, which we attribute to the non-uniform spatial distribution of the discharges caused by the rings. However, at 30 W supplied power, the energy yield is higher than at 50 W and the placement of the rings improves the performance of the reactor. More rings and with a larger cross-sectional diameter can further improve the performance. The reactor with 20 rings with a 3.2 mm cross-sectional diameter exhibits the best performance in this study. Compared to the reactor without rings, it increases the CO2 conversion from 7% to 16 %, the CH4 conversion from 12% to 23%, and the energy yield from 0.05 mmol/kJ supplied power to 0.1 mmol/kJ (0.19 mmol/kJ if calculated from the plasma power), respectively. The presence of the rings increases the local electric field, the displaced charge and the discharge fraction, and also makes the discharge more stable and with more uniform intensity. It also slightly improves the selectivity to syngas. The performance improvement observed by placing stainless steel rings in this study may also be applicable to other plasma-based processes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000986051300001 Publication Date (up) 2023-04-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 15.1 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 15.1; 2023 IF: 6.216
Call Number UA @ admin @ c:irua:195603 Serial 7264
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Author Ortega Saez, N.; Arno, R.; Marchetti, A.; Cauberghs, S.; Janssens, K.; Van der Snickt, G.; Al-Emam, E.
Title Towards a novel strategy for soot removal from water-soluble materials : the synergetic effect of hydrogels and cyclomethicone on gelatine emulsion-based photographs Type A1 Journal article
Year 2023 Publication Heritage science Abbreviated Journal
Volume 11 Issue 1 Pages 78-17
Keywords A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract Gels are a popular cleaning method for paper conservators and a lot of research has been done concerning gel cleaning of paper objects over the last 15 years. Despite the close interconnection between the conservation fields of paper and photographic material, research on using gels for cleaning photographs is very scarce. However, gels can provide an excellent cleaning method for photographic material. Cleaning silver gelatine prints with aqueous solvents is very complex due to the hydrophilic properties and fragility of the gelatine layer which makes mechanical cleaning difficult. The properties of gels ensure better control over the flow and evaporation of the solvent, facilitating the cleaning process. This study is the first insight into the viability of using gellan gum gel and polyvinyl acetate-borax (PVAc-borax) gel to clean contaminants from the surface of silver gelatine photographs. It is based on self-made samples that were artificially aged and contaminated with soot. Water, ethanol (EtOH), and Kodak Photo-flo were studied as solvents to remove the soot from the silver gelatine-based prints. These solvents were loaded into the aforementioned gels and applied to the samples in two different methods. These gel cleaning methods were subsequently compared with traditional cleaning methods. In addition, the usage of cyclomethicone D4 as a protective mask for the gelatine layer was studied. Measuring methods used to evaluate the cleaning were visual comparison, microscopic observation, and densitometry. ATR-FTIR measurements were also conducted to investigate potential side-effects of the cleaning methods on the prints, such as unwanted chemical transformations or the presence of gel residues after the treatments. Most of the gel cleaning methods within this study proved to be inadequate, with the exception of the gellan gum gel loaded with 30% EtOH. It was used as a granulated gel applied mechanically on a print saturated with cyclomethicone (octamethylcyclotetrasiloxane D4). Cyclomethicone proved to be a very effective protective barrier for the water-sensitive gelatine layer with minimal reduction in cleaning effectiveness.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000970139500001 Publication Date (up) 2023-04-18
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 2.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.5; 2023 IF: NA
Call Number UA @ admin @ c:irua:196445 Serial 8945
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Author Detamornrat, U.; Parrilla, M.; Domínguez-Robles, J.; Anjani, Q.K.; Larrañeta, E.; De Wael, K.; Donnelly, R.F.
Title Transdermal on-demand drug delivery based on an iontophoretic hollow microneedle array system Type A1 Journal article
Year 2023 Publication Lab on a chip Abbreviated Journal
Volume 23 Issue 9 Pages 2304-2315
Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Transdermal drug delivery has emerged as an alternative administration route for therapeutic drugs, overcoming current issues in oral and parenteral administration. However, this technology is hindered by the low permeability of the stratum corneum of the skin. In this work, we develop a synergic combination of two enhancing technologies to contribute to an improved and on-demand drug delivery through an iontophoretic system coupled with hollow microneedles (HMNs). For the first time, a polymeric HMN array coupled with integrated iontophoresis for the delivery of charged molecules and macromolecules (e.g. proteins) is devised. To prove the concept, methylene blue, fluorescein sodium, lidocaine hydrochloride, and bovine serum albumin-fluorescein isothiocyanate conjugate (BSA-FITC) were first tested in an in vitro setup using 1.5% agarose gel model. Subsequently, the ex vivo drug permeation study using a Franz diffusion cell was conducted, exhibiting a 61-fold, 43-fold, 54-fold, and 17-fold increment of the permeation of methylene blue, fluorescein sodium, lidocaine hydrochloride, and BSA-FITC, respectively, during the application of 1 mA cm(-2) current for 6 h. Moreover, the total amount of drug delivered (i.e. in the skin and receptor compartment) was analysed to untangle the different delivery profiles according to the types of molecule. Finally, the integration of the anode and cathode into an iontophoretic hollow microneedle array system (IHMAS) offers the full miniaturisation of the concept. Overall, the IHMAS device provides a versatile wearable technology for transdermal on-demand drug delivery that can improve the administration of personalised doses, and potentially enhance precision medicine.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000971513000001 Publication Date (up) 2023-04-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1473-0197 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.1 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.1; 2023 IF: 6.045
Call Number UA @ admin @ c:irua:195781 Serial 8946
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Author Zhang, H.; Jin, Q.; Hu, T.; Liu, X.; Zhang, Z.; Hu, C.; Zhou, Y.; Han, Y.; Wang, X.
Title Electron-irradiation-facilitated production of chemically homogenized nanotwins in nanolaminated carbides Type A1 Journal article
Year 2023 Publication Journal of Advanced Ceramics Abbreviated Journal
Volume 12 Issue 6 Pages 1288-1297
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Twin boundaries have been exploited to stabilize ultrafine grains and improve mechanical properties of nanomaterials. The production of the twin boundaries and nanotwins is however prohibitively challenging in carbide ceramics. Using a scanning transmission electron microscope as a unique platform for atomic-scale structure engineering, we demonstrate that twin platelets could be produced in carbides by engineering antisite defects. The antisite defects at metal sites in various layered ternary carbides are collectively and controllably generated, and the metal elements are homogenized by electron irradiation, which transforms a twin-like lamellae into nanotwin platelets. Accompanying chemical homogenization, alpha-Ti3AlC2 transforms to unconventional beta-Ti3AlC2. The chemical homogeneity and the width of the twin platelets can be tuned by dose and energy of bombarding electrons. Chemically homogenized nanotwins can boost hardness by similar to 45%. Our results provide a new way to produce ultrathin (< 5 nm) nanotwin platelets in scientifically and technologically important carbide materials and showcase feasibility of defect engineering by an angstrom-sized electron probe.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001004930200012 Publication Date (up) 2023-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2226-4108; 2227-8508 ISBN Additional Links UA library record; WoS full record
Impact Factor 16.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 16.9; 2023 IF: 1.198
Call Number UA @ admin @ c:irua:197470 Serial 8860
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Author Kocabas, T.; Keceli, M.; Vazquez-Mayagoitia, A.; Sevik, C.
Title Gaussian approximation potentials for accurate thermal properties of two-dimensional materials Type A1 Journal article
Year 2023 Publication Nanoscale Abbreviated Journal
Volume 15 Issue 19 Pages 8772-8780
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Two-dimensional materials (2DMs) continue to attract a lot of attention, particularly for their extreme flexibility and superior thermal properties. Molecular dynamics simulations are among the most powerful methods for computing these properties, but their reliability depends on the accuracy of interatomic interactions. While first principles approaches provide the most accurate description of interatomic forces, they are computationally expensive. In contrast, classical force fields are computationally efficient, but have limited accuracy in interatomic force description. Machine learning interatomic potentials, such as Gaussian Approximation Potentials, trained on density functional theory (DFT) calculations offer a compromise by providing both accurate estimation and computational efficiency. In this work, we present a systematic procedure to develop Gaussian approximation potentials for selected 2DMs, graphene, buckled silicene, and h-XN (X = B, Al, and Ga, as binary compounds) structures. We validate our approach through calculations that require various levels of accuracy in interatomic interactions. The calculated phonon dispersion curves and lattice thermal conductivity, obtained through harmonic and anharmonic force constants (including fourth order) are in excellent agreement with DFT results. HIPHIVE calculations, in which the generated GAP potentials were used to compute higher-order force constants instead of DFT, demonstrated the first-principles level accuracy of the potentials for interatomic force description. Molecular dynamics simulations based on phonon density of states calculations, which agree closely with DFT-based calculations, also show the success of the generated potentials in high-temperature simulations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000976615200001 Publication Date (up) 2023-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.7 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.7; 2023 IF: 7.367
Call Number UA @ admin @ c:irua:196722 Serial 8873
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Author Vingerhoets, R.; Spiller, M.; De Backer, J.; Adriaens, A.; Vlaeminck, S.E.; Meers, E.
Title Detailed nitrogen and phosphorus flow analysis, nutrient use efficiency and circularity in the agri-food system of a livestock-intensive region Type A1 Journal article
Year 2023 Publication Journal of cleaner production Abbreviated Journal
Volume 410 Issue Pages 137278-13
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The agri-food value chain is a major cause of nitrogen (N) and phosphorus (P) emissions and associated environmental and health impacts. The EU's farm-to-fork strategy (F2F) demands an agri-food value chain approach to reduce nutrient emissions by 50% and fertilizer use by 20%. Substance flow analysis (SFA) is a method that can be applied to study complex systems such as the agri-food chain. A review of 60 SFA studies shows that they often lack detail by not sufficiently distinguishing between nodes, products and types of emissions. The present study aims to assess the added value of detail in SFAs and to illustrate that valuable indicators can be derived from detailed assessments. This aim will be attained by presenting a highly-detailed SFA for the livestock-intensive region of Flanders, Belgium. The SFA distinguishes 40 nodes and 1827 flows that are classified into eight different categories (e.g. by-products, point source emissions) following life cycle methods. Eight novel indicators were calculated, including indicators that assess the N and P recovery potential. Flanders has a low overall nutrient use efficiency (11% N, 18% P). About 55% of the N and 56% of the P embedded in recoverable streams are reused providing 35% and 37% of the total N and P input. Optimized nutrient recycling could replace 45% of N and 48% of P of the external nutrient input, exceeding the target set by the F2F strategy. Detailed accounting for N and P flows and nodes leads to the identification of more recoverable streams and larger N and P flows. More detailed flow accounting is a prerequisite for the quantification of technological intervention options. Future research should focus on including concentration and quality as a parameter in SFAs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000991013600001 Publication Date (up) 2023-04-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.1 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 11.1; 2023 IF: 5.715
Call Number UA @ admin @ c:irua:196227 Serial 7770
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Author Borms, L.; Van Opstal, W.; Brusselaers, J.; Van Passel, S.
Title The working future : an analysis of skills needed by circular startups Type A1 Journal article
Year 2023 Publication Journal of cleaner production Abbreviated Journal
Volume 409 Issue Pages 137261-137269
Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Aside from potential environmental benefits, the implementation of circular economy principles in businesses can have merits for the labour market. The current unemployment in several regions of Europe and the qualitative mismatch between supply and demand could be countered by reskilling the labour force to adjust supply and demand to one another for increased reuse, repair, or recycling, among others. This study uses interviews to increase the focus of the research question and uses survey data to perform an ordered probit regression analysis to sketch the current and future landscape of startups’ skills in Flanders (Belgium), and to analyse the relationship between circular strategies and different types of skills. The results show that design to lower material use increases the need for transport and logistics skills, digitalisation increases the need for R&D and IT skills, and the recuperation of waste requires technical knowledge. Furthermore, gender, age, and experience of the entrepreneur influence the needed skills. The paper probed for policy recommendations for the uptake of circular strategies and recommendations for future research. The most asked policy measures by the respondents are innovation and collaboration support (subsidies), fiscal measures that support circular goods and services, and public procurement for circular goods and services. This research is of relevance for several stakeholders, such as startup ecosystems, sector organisations, policy makers in innovation policy and labour market policy, and educational institutions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000988763400001 Publication Date (up) 2023-04-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.1 Times cited Open Access
Notes Approved Most recent IF: 11.1; 2023 IF: 5.715
Call Number UA @ admin @ c:irua:195706 Serial 9246
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Author Foltyn, M.; Norowski, K.; Wyszynski, M.J.; De Arruda, A.S.; Milošević, M.V.; Zgirski, M.
Title Probing confined vortices with a superconducting nanobridge Type A1 Journal article
Year 2023 Publication Physical review applied Abbreviated Journal
Volume 19 Issue 4 Pages 044073-12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We realize a superconducting nanodevice in which vortex traps in the form of an aluminum square are integrated with a Dayem nanobridge. We perform field cooling of the traps arriving to different vortex configurations, dependent on the applied magnetic field, to demonstrate that the switching current of the bridge is highly sensitive to the presence and location of vortices in the trap. Our measurements exhibit unprecedented precision and ability to detect the first and successive vortex entries into all fabricated traps, from few hundred nm to 2 mu m in size. The experimental results are corroborated by Ginzburg-Landau simulations, which reveal the subtle yet crucial changes in the density of the superconducting condensate in the vicinity of the bridge with every additional vortex entry and relocation inside the trap. An ease of integration and simplicity make our design a convenient platform for studying dynamics of vortices in strongly confining geometries, involving a promise to manipulate vortex states electronically with simultaneous in situ control and monitoring.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000980861100007 Publication Date (up) 2023-04-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2331-7019 ISBN Additional Links UA library record; WoS full record
Impact Factor 4.6 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 4.6; 2023 IF: 4.808
Call Number UA @ admin @ c:irua:197356 Serial 8918
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Author Sargin, G.O.; Sarikurt, S.; Sevincli, H.; Sevik, C.
Title The peculiar potential of transition metal dichalcogenides for thermoelectric applications : a perspective on future computational research Type A1 Journal article
Year 2023 Publication Journal of applied physics Abbreviated Journal
Volume 133 Issue 15 Pages 150902-150937
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The peculiar potential transition metal dichalcogenides in regard to sensor and device applications have been exhibited by both experimental and theoretical studies. The use of these materials, thermodynamically stable even at elevated temperatures, particularly in nano- and optoelectronic technology, is about to come true. On the other hand, the distinct electronic and thermal transport properties possessing unique coherency, which may result in higher thermoelectric efficiency, have also been reported. However, exploiting this potential in terms of power generation and cooling applications requires a deeper understanding of these materials in this regard. This perspective study, concentrated with this intention, summarizes thermoelectric research based on transition metal dichalcogenides from a broad perspective and also provides a general evaluation of future theoretical investigations inevitable to shed more light on the physics of electronic and thermal transport in these materials and to lead future experimental research.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001079329000001 Publication Date (up) 2023-04-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.2 Times cited Open Access
Notes Approved Most recent IF: 3.2; 2023 IF: 2.068
Call Number UA @ admin @ c:irua:200351 Serial 9105
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Author Shi, P.; Chen, L.; Quinn, B.K.; Yu, K.; Miao, Q.; Guo, X.; Lian, M.; Gielis, J.; Niklas, K.J.
Title A simple way to calculate the volume and surface area of avian eggs Type A1 Journal article
Year 2023 Publication Annals of the New York Academy of Sciences Abbreviated Journal
Volume 1524 Issue 1 Pages 118-131
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Egg geometry can be described using Preston's equation, which has seldom been used to calculate egg volume (V) and surface area (S) to explore S versus V scaling relationships. Herein, we provide an explicit re-expression of Preston's equation (designated as EPE) to calculate V and S, assuming that an egg is a solid of revolution. The side (longitudinal) profiles of 2221 eggs of six avian species were digitized, and the EPE was used to describe each egg profile. The volumes of 486 eggs from two avian species predicted by the EPE were compared with those obtained using water displacement in graduated cylinders. There was no significant difference in V using the two methods, which verified the utility of the EPE and the hypothesis that eggs are solids of revolution. The data also indicated that V is proportional to the product of egg length (L) and maximum width (W) squared. A 2/3-power scaling relationship between S and V for each species was observed, that is, S is proportional to (LW2)(2/3). These results can be extended to describe the shapes of the eggs of other species to study the evolution of avian (and perhaps reptilian) eggs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000975679400001 Publication Date (up) 2023-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0077-8923; 1749-6632 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.2 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.2; 2023 IF: 4.706
Call Number UA @ admin @ c:irua:196724 Serial 8827
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Author Alvarado-Alvarado, A.A.; De Bock, A.; Ysebaert, T.; Belmans, B.; Denys, S.
Title Modeling the hygrothermal behavior of green walls in Comsol Multiphysics® : validation against measurements in a climate chamber Type A1 Journal article
Year 2023 Publication Building and environment Abbreviated Journal
Volume 238 Issue Pages 110377-12
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Energy and Materials in Infrastructure and Buildings
Abstract Green walls (GW) can diminish building's surface temperature through shading, insulation, and evapotranspiration mechanisms. These can be analyzed by computer models that account for heat and mass transfer phenomena. However, most previous models were one-dimensional thermal simulations in which boundary conditions (BC), like convective moisture transport, were not or only partly considered. The present work proposes a more comprehensive way to predict GW's hygrothermal behavior by integrating a 3D multiphysics model that couples heat and moisture transport in Comsol Multiphysics®. The air cavity that usually separates the GW from the building was also considered. Heat sink terms were added to represent plants' transpiration and substrates' evaporation, considering the leaf area density (LAD) and substrate's water saturation (Sr). The model was validated against experiments where four green wall-test panels (GW-TPs) were evaluated in a climate chamber under steady-state conditions. This provides a much sounder approach for validation than what currently exists (r = 0.97; RMSE = 0.33 °C). The four GW-TPs decreased the masonry's surface temperature in the range of 0.89–1.14 °C (0.97 ± 0.11 SD °C). The average contribution of the evapotranspiration effect was 30%, whereas the contribution of the air cavity was 60.7 ± 0.09%. The temperature at the substrate's rear was reduced on average by 0.57 ± 0.15 SD °C. When solar radiation was considered as a BC, the GW-TPs decreased the building's surface temperature by 10 °C. Lastly, high values of LAD and Sr translated into increased temperature reduction values.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001001412600001 Publication Date (up) 2023-05-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0360-1323 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 7.4; 2023 IF: 4.053
Call Number UA @ admin @ c:irua:196467 Serial 8899
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Author Bekaert, J.; Bringmans, L.; Milošević, M.V.
Title Ginzburg-Landau surface energy of multiband superconductors : derivation and application to selected systems Type A1 Journal article
Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal
Volume 35 Issue 32 Pages 325602-325610
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We determine the energy of an interface between a multiband superconducting and a normal half-space, in presence of an applied magnetic field, based on a multiband Ginzburg-Landau (GL) approach. We obtain that the multiband surface energy is fully determined by the critical temperature, electronic densities of states, and superconducting gap functions associated with the different band condensates. This furthermore yields an expression for the thermodynamic critical magnetic field, in presence of an arbitrary number of contributing bands. Subsequently, we investigate the sign of the surface energy as a function of material parameters, through numerical solution of the GL equations. Here, we consider two distinct cases: (i) standard multiband superconductors with attractive interactions, and (ii) a three-band superconductor with a chiral ground state with phase frustration, arising from repulsive interband interactions. Furthermore, we apply this approach to several prime examples of multiband superconductors, such as metallic hydrogen and MgB2, based on microscopic parameters obtained from first-principles calculations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000986281900001 Publication Date (up) 2023-05-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7; 2023 IF: 2.649
Call Number UA @ admin @ c:irua:196664 Serial 8875
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Author Truta, F.; Cruz, A.G.; Tertis, M.; Zaleski, C.; Adamu, G.; Allcock, N.S.; Suciu, M.; Stefan, M.-G.; Kiss, B.; Piletska, E.; De Wael, K.; Piletsky, S.A.; Cristea, C.
Title NanoMIPs-based electrochemical sensors for selective detection of amphetamine Type A1 Journal article
Year 2023 Publication Microchemical journal Abbreviated Journal
Volume 191 Issue Pages 108821-10
Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract A highly sensitive and portable electrochemical sensor based on molecularly imprinted nanoparticles (nanoMIPs) was developed. NanoMIPs were computationally designed for specific recognition of amphetamine, and then synthetized using solid phase synthesis. NanoMIPs were immobilized onto screen-printed carbon electrodes using a composite film comprising chitosan, nanoMIPs, and graphene oxide.Ferrocenylmethyl methacrylate was incorporated in nanoMIPs allowing electrochemical detection. The signal recorded for the electrochemical oxidation of ferrocene has proven to be dependent on the presence of amphetamine interacting with nanMIPs. The sensor was tested successfully with street samples, with high sensitivity and satisfactory recoveries (from 100.9% to 107.6%). These results were validated with UPL-MS/MS. The present technology is suitable for forensic applications in selective determination of amphetamine in street samples.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001008428600001 Publication Date (up) 2023-05-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.8 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 4.8; 2023 IF: 3.034
Call Number UA @ admin @ c:irua:197397 Serial 8903
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Author Shevchenko, V.A.; Glazkova, I.S.; Novichkov, D.A.; Skvortsova, I.; V. Sobolev, A.; Abakumov, A.M.; Presniakov, I.A.; Drozhzhin, O.A.; V. Antipov, E.
Title Competition between the Ni and Fe redox in the O3-NaNi1/3Fe1/3Mn1/3O2 cathode material for Na-ion batteries Type A1 Journal article
Year 2023 Publication Chemistry of materials Abbreviated Journal
Volume 35 Issue 10 Pages 4015-4025
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Sodium-ion batteries are attracting great attention due to their low cost and abundance of sodium. The O3-type NaNi1/3Fe1/3Mn1/3O2 layered oxide material is a promising candidate for positive electrodes (cathodes) in Na-ion batteries. However, its stable electrochemical performance is restricted by the upper voltage limit of 4.0 V (vs Na/Na+), which allows for reversibly removing 0.5-0.55 Na+ per formula unit, corresponding to the capacity of 120-130 mAh.g(-1). Further reduction of sodium content inevitably accelerates capacity degradation, and this issue calls for a detailed study of the redox reactions that accompany the electrochemical (de)intercalation of a large amount of sodium. Here, we present operando and ex situ studies using powder X-ray diffraction and X-ray absorption spectroscopy combined with Fe-57 Mossbauer spectroscopy. Our approach reveals the sequence of the redox transitions that occur during the charge and discharge of O3-NaNi1/3Fe1/3Mn1/3O2. Our data show that in addition to nickel and iron cations oxidizing to M+4, a part of iron transforms into the “3 + delta” state owing to the fast electron exchange Fe3+ + Fe4+ <-> Fe4+ + Fe3+. This process freezes upon cooling the material to 35 K, producing Fe4+ cations, some of which occupy tetrahedral positions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000985970200001 Publication Date (up) 2023-05-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756; 1520-5002 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.6 Times cited Open Access
Notes Approved Most recent IF: 8.6; 2023 IF: 9.466
Call Number UA @ admin @ c:irua:197352 Serial 9013
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Author Kumar, M.; Sengupta, A.; Kummamuru, N.B.
Title Molecular simulations for carbon dioxide capture in silica slit pores Type A3 Journal article
Year 2023 Publication Materials Today: Proceedings Abbreviated Journal
Volume Issue Pages 1-9
Keywords A3 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations to quantify CO2 capture inside porous silica at high operating temperatures of 673.15 K and 873.15 K; and over a operating pressure range of 500 kPa – 4000 kPa that are methane steam reforming process parameters. Related chemical potential values at these thermodynamic conditions are obtained from the bulk phase simulations in the Canonical ensemble in conjunction with Widom’s insertion technique, where the CO2 has been accurately represented by TraPPE force field. Present structure of the porous silica is a single slit pore geometry of various heights (H = 20 Å, 31.6 Å, 63.2 Å and 126.5 Å), dimensions in which possible vapour-liquid equilibria for generic square well fluids has been reported in literature. Estimation of the pore-fluid interactions show a higher interaction between silica pore and adsorbed CO2 compared to the reported pore-fluid interactions between homogeneous carbon slit pore and adsorbed CO2; thus resulting in an enhancement of adsorption inside silica pores of H = 20 Å and H = 126.5 Å, which are respectively 3.5 times and 1.5 times higher than that in homogeneous carbon slit pores of same dimensions and at 673.15 K and 500 kPa. Estimated local density plots indicate the presence of structured layers due to more molecular packing, which confirms possible liquid-like and vapour-like phase coexistence of the supercritical bulk phase CO2 under confinement.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date (up) 2023-05-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2214-7853 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:200944 Serial 9058
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Author Borah, R.; Kumar, A.; Samantaray, M.; Desai, A.; Tseng, F.-G.
Title Photothermal heating of Au nanorods and nanospheres : temperature characteristics and strength of convective forces Type A1 Journal article
Year 2023 Publication Plasmonics Abbreviated Journal
Volume 18 Issue 4 Pages 1449-1465
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The nanoscale photothermal effect and the optofluidic convection around plasmonic nanoparticles drive the application of such nanoparticles in micro-environment. In this work, heat transfer and fluid flow around Au nanospheres and nanorods in water medium under continuous and pulsed wave laser irradiance was investigated using an FEM based numerical framework. Au nanospheres of a wide range of diameter: 40 nm = Diameter (D) = 180 nm and relatively large nanorods (diameter: 50 nm) with varying aspect ratio (1 = Aspect ratio (A) = 5) and orientation (0 degrees = ? = 90 degrees, ? = 0 degrees, 90 degrees) with respect to the incident EM radiation were investigated for continuous wave (CW) and pulsed wave laser. It was found that although nanorods can attain much higher temperature than nanospheres, orientation of a nanorod is an important factor to be carefully considered in applications. In micro-scale spherical and hemispherical confinements (diameter < 14.4 p.m), the convective velocity fields around nanoparticles is in the order of 10-9 m/s, with only a weak effect of the slip or no-slip boundary condition on the confining walls. Importantly, the size of the confinement has a strong effect leading to an order of magnitude stronger convection for 14.4 p.m (diameter) spherical confinement as compared to 3.6 p.m confinement. Additionally close proximity of the nanoparticles to the confining walls strongly reduces (by an order of magnitude) the convective currents. The results reported herein provides important insights for the use of photothermal nanoparticles in microscale confined space (e.g. cellular environment) for applications such as optical tweezers, photoporation, etc.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000985445100001 Publication Date (up) 2023-05-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1557-1955; 1557-1963 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 3; 2023 IF: 2.139
Call Number UA @ admin @ c:irua:197380 Serial 8914
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Author Bellizotti Souza, J.C.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A.
Title Spontaneous skyrmion conformal lattice and transverse motion during dc and ac compression Type A1 Journal article
Year 2023 Publication New journal of physics Abbreviated Journal
Volume 25 Issue 5 Pages 053020-15
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We use atomistic-based simulations to investigate the behavior of ferromagnetic skyrmions being continuously compressed against a rigid wall under dc and ac drives. The compressed skyrmions can be annihilated close to the wall and form a conformal crystal with both a size and a density gradient, making it distinct from conformal crystals observed previously for superconducting vortices and colloidal particles. For both dc and ac driving, the skyrmions can move transverse to the compression direction due to a combination of density and size gradients. Forces in the compression direction are converted by the Magnus force into transverse motion. Under ac driving, the amount of skyrmion annihilation is reduced and we find a skyrmion Magnus ratchet pump. We also observe shear banding in which skyrmions near the wall move up to twice as fast as skyrmions further from the wall. When we vary the magnitude of the applied drive, we find a critical current above which the skyrmions are completely annihilated during a time scale that depends on the magnitude of the drive. By varying the magnetic parameters, we find that the transverse motion is strongly dependent on the skyrmion size. Smaller skyrmions are more rigid, which interferes with the size gradient and destroys the transverse motion. We also confirm the role of the size gradient by comparing our atomistic simulations with a particle-based model, where we find that the transverse motion is only transient. Our results are relevant for applications where skyrmions encounter repulsive magnetic walls, domain walls, or interfaces.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000994003200001 Publication Date (up) 2023-05-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.3; 2023 IF: 3.786
Call Number UA @ admin @ c:irua:197365 Serial 8934
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Author Perreault, P.; Van Hoecke, L.; Pourfallah, H.; Kummamuru, N.B.; Boruntea, C.-R.; Preuster, P.
Title Critical challenges towards the commercial rollouts of a LOHC-based H2 economy Type A1 Journal article
Year 2023 Publication Current opinion in green and sustainable chemistry Abbreviated Journal
Volume 41 Issue Pages 100836-100838
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract This short review discusses recent developments related to the storage and release of hydrogen from liquid organic hydrogen carriers (LOHCs). It focusses on three areas of recent literature: the application and development of novel, alternative LOHC systems, process development and process integration in the storage and release of hydrogen from LOHCs, and the electrochemical conversion of LOHCs. For the novel LOHC systems, we briefly focus on reaction enthalpy and storage capacity as main KPIs for the comparison of those systems and discuss the technical availability on a relevant scale. In the field of process- and reactor development our emphasis lies on the power density of the chemical conversion units. The LOHC technology still requires further development to reach the necessary energy efficiency, flexibility and overall research maturity for market competitivity and commercial impact.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001019180100001 Publication Date (up) 2023-05-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2452-2236 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.3 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 9.3; 2023 IF: NA
Call Number UA @ admin @ c:irua:196520 Serial 8845
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Author Yuan, Y.; Wu, F.-J.; Xiao, S.-T.; Wang, Y.-T.; Yin, Z.-W.; Van Tendeloo, G.; Chang, G.-G.; Tian, G.; Hu, Z.-Y.; Wu, S.-M.; Yang, X.-Y.
Title Hierarchical zeolites containing embedded Cd0.2Zn0.8S as a photocatalyst for hydrogen production from seawater Type A1 Journal article
Year 2023 Publication Chemical communications Abbreviated Journal
Volume 59 Issue 47 Pages 7275-7278
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Uncovering an efficient and stable photocatalytic system for seawater splitting is a highly desirable but challenging goal. Herein, Cd0.2Zn0.8S@Silicalite-1 (CZS@S-1) composites, in which CZS is embedded in the hierarchical zeolite S-1, were prepared and show remarkably high activity, stability and salt resistance in seawater.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000994367000001 Publication Date (up) 2023-05-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-7345; 1364-548x ISBN Additional Links UA library record; WoS full record
Impact Factor 4.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.9; 2023 IF: 6.319
Call Number UA @ admin @ c:irua:197291 Serial 8878
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Author Gheysen, J.; Kashiwar, A.; Idrissi, H.; Villanova, J.; Simar, A.
Title Suppressing hydrogen blistering in a magnesium-rich healable laser powder bed fusion aluminum alloy analyzed by in-situ high resolution techniques Type A1 Journal article
Year 2023 Publication Materials & design Abbreviated Journal
Volume 231 Issue Pages 112024-11
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Hydrogen blistering, i.e. precipitation of supersaturated hydrogen at elevated temperatures, increases porosity during heat treatments in 4xxx series Al alloys manufactured by laser powder bed fusion (LPBF), as demonstrated by 3D X-ray nano-imaging in AlSi12. This paper proposes the design of a healable Al alloy to suppress hydrogen blistering and improve the damage management. The strategy consists of solute atoms diffusing towards nano-voids and precipitating on their surface, thereby filling the damage sites. A new healable Al alloy was thus developed and successfully manufactured by LPBF. 3D X-ray nano-imaging evidenced that the addition of Mg in 4xxx series Al alloys suppresses the hydrogen blistering. This is expectedly due to Mg in solid solution which increases the hydrogen solubility in the Al matrix and due to the healing of these hydrogen pores. Moreover, a significant healing of voids smaller than 500 nm diameter is observed. In-situ heating inside transmission electron microscopy pointed out that Al matrix diffuses inside the fractured Mg2Si particles, thereby demonstrating the healing ability of the new alloy. This has opened the doors to development of new healable Al alloys manufactured by LPBF as well as to new post-treatments to tailor mechanical properties and microstructure without hydrogen blistering.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001055174900001 Publication Date (up) 2023-05-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0264-1275; 1873-4197 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 8.4; 2023 IF: 4.364
Call Number UA @ admin @ c:irua:196536 Serial 8939
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Author Sasaki, S.; Giri, S.; Cassidy, S.J.; Dey, S.; Batuk, M.; Vandemeulebroucke, D.; Cibin, G.; Smith, R.I.; Holdship, P.; Grey, C.P.; Hadermann, J.; Clarke, S.J.
Title Anion redox as a means to derive layered manganese oxychalcogenides with exotic intergrowth structures Type A1 Journal article
Year 2023 Publication Nature communications Abbreviated Journal
Volume 14 Issue 1 Pages 2917-11
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Topochemistry enables step-by-step conversions of solid-state materials often leading to metastable structures that retain initial structural motifs. Recent advances in this field revealed many examples where relatively bulky anionic constituents were actively involved in redox reactions during (de)intercalation processes. Such reactions are often accompanied by anion-anion bond formation, which heralds possibilities to design novel structure types disparate from known precursors, in a controlled manner. Here we present the multistep conversion of layered oxychalcogenides Sr(2)MnO(2)Cu(1.5)Ch(2) (Ch=S, Se) into Cu-deintercalated phases where antifluorite type [Cu(1.5)Ch(2)](2.5-) slabs collapsed into two-dimensional arrays of chalcogen dimers. The collapse of the chalcogenide layers on deintercalation led to various stacking types of Sr(2)MnO(2)Ch(2) slabs, which formed polychalcogenide structures unattainable by conventional high-temperature syntheses. Anion-redox topochemistry is demonstrated to be of interest not only for electrochemical applications but also as a means to design complex layered architectures. Low temperature chemical transformations of solids using high-energy intermediates have enabled the synthesis of a new series of layered oxide chalcogenide containing oxidised chalcogenide dimers promising a new range of solids.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001024186000011 Publication Date (up) 2023-05-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 16.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 16.6; 2023 IF: 12.124
Call Number UA @ admin @ c:irua:199281 Serial 8832
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Author Vasilakou, K.; Nimmegeers, P.; Thomassen, G.; Billen, P.; Van Passel, S.
Title Assessing the future of second-generation bioethanol by 2030 : a techno-economic assessment integrating technology learning curves Type A1 Journal article
Year 2023 Publication Applied energy Abbreviated Journal
Volume 344 Issue Pages 121263-15
Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
Abstract Lignocellulosic biomass is the most abundant source of renewable biomass and is seen as a high-potential replacement for petroleum-based resources. The conversion technologies to advanced biofuels are still at a low maturity level, thus allowing for future cost reductions through technological learning. This fact is barely considered in state-of-the-art techno-economic assessments and a structured approach to account for technological learning in techno-economic assessments is needed. In this study, a framework for techno-economic assessments of advanced biofuels, integrating learning curves, is proposed. As a validation of this framework, the economic feasibility of the valorization of corn stover for the production of second-generation bioethanol in Belgium is studied. Process flowsheet simulations in Aspen Plus are developed, with an emphasis on the comparison of four different pretreatment technologies and two plant capacities at 156 dry kt biomass/y and 667 dry kt/y. The dilute acid pretreatment model of the large-scale biorefinery required the lowest minimum learning rate to reach an economically feasible biorefinery by 2030, being 3.9%, almost half as the one calculated for the smaller scale plant. This learning rate seems to be achievable based on learning rates commonly estimated in literature. We conclude that there is a potential for advanced ethanol production in Belgium under the current state of technology for large-scale biorefineries, which require additional biomass imports, when accounting for future cost reductions through learning
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001007488700001 Publication Date (up) 2023-05-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0306-2619 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.2 Times cited Open Access
Notes Approved Most recent IF: 11.2; 2023 IF: 7.182
Call Number UA @ admin @ c:irua:196509 Serial 9186
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Author Zuniga-Puelles, E.; Levytskyi, V.; Özden, A.; Guerel, T.; Bulut, N.; Himcinschi, C.; Sevik, C.; Kortus, J.; Gumeniuk, R.
Title Thermoelectric properties and scattering mechanisms in natural PbS Type A1 Journal article
Year 2023 Publication Physical review B Abbreviated Journal
Volume 107 Issue 19 Pages 195203-195215
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract X-ray diffraction and energy dispersive x-ray spectroscopic analyses showed a natural galena (PbS) crystal from Freiberg in Saxony (Germany) to be a single phase specimen [rock salt (NaCl) structure type, space group Fm3m, a = 5.932(1) angstrom] with stoichiometric composition and an enhanced dislocation density (8 approximate to 1011 cm-2). The latter parameter leads to an increase of the electrical resistivity in the high-temperature regime, as well as to the appearance of phonon resonance with a characteristic frequency coPR = 3.8(1) THz. Being in the same range (i.e., 3-5.5 THz) with the sulfur optical modes of highest group velocities, it results in a drastic reduction (by similar to 75%) of thermal conductivity (K) at lower temperatures (i.e., < 100 K), as well as in the appearance of a characteristic minimum in K at T approximate to 30 K. Furthermore, the studied galena is characterized by phonon-drag behavior and by temperature dependent switch of the charge carrier scattering mechanism regime (i.e., scattering on dislocations for T < 100 K, on acoustic phonons for 100 K < T < 170 K and on both acoustic and optical phonons for 170 K < T < 300 K). The combined theoretical calculation and optical spectroscopic study confirm this mineral to be a direct gap degenerate semiconductor. The possible origins of the second-order Raman spectrum are discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001009980400008 Publication Date (up) 2023-05-30
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 3.7 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 3.7; 2023 IF: 3.836
Call Number UA @ admin @ c:irua:197808 Serial 8943
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Author Verbruggen, S.W.; Mul, G.
Title Editorial overview : photocatalysis 2022 shining light on a diversity of research opportunities Type Editorial
Year 2023 Publication Current opinion in green and sustainable chemistry Abbreviated Journal
Volume 42 Issue Pages 100838-2
Keywords Editorial; Engineering sciences. Technology
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001034184800001 Publication Date (up) 2023-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2452-2236 ISBN Additional Links UA library record; WoS full record
Impact Factor 9.3 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 9.3; 2023 IF: NA
Call Number UA @ admin @ c:irua:197220 Serial 8854
Permanent link to this record
 

 
Author Hofer, C.; Mustonen, K.; Skakalova, V.; Pennycook, T.J.
Title Picometer-precision few-tilt ptychotomography of 2D materials Type A1 Journal article
Year 2023 Publication 2D materials Abbreviated Journal
Volume 10 Issue 3 Pages 035029-7
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract From ripples to defects, edges and grain boundaries, the 3D atomic structure of 2D materials is critical to their properties. However the damage inflicted by conventional 3D analysis precludes its use with fragile 2D materials, particularly for the analysis of local defects. Here we dramatically increase the potential for precise local 3D atomic structure analysis of 2D materials, with both greatly improved dose efficiency and sensitivity to light elements. We demonstrate light atoms can now be located in complex 2D materials with picometer precision at doses 30 times lower than previously possible. Moreover we demonstrate this using WS2, in which the light atoms are practically invisible to conventional methods at low doses. The key advance is combining the concept of few tilt tomography with highly dose efficient ptychography in scanning transmission electron microscopy. We further demonstrate the method experimentally with the even more challenging and newly discovered 2D CuI, leveraging a new extremely high temporal resolution camera.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001013151600001 Publication Date (up) 2023-06-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.5; 2023 IF: 6.937
Call Number UA @ admin @ c:irua:197809 Serial 8915
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Author Craco, L.; Carara, S.S.; Barboza, E. da S.; Milošević, M.V.; Pereira, T.A.S.
Title Electronic and valleytronic properties of crystalline boron-arsenide tuned by strain and disorder Type A1 Journal article
Year 2023 Publication RSC advances Abbreviated Journal
Volume 13 Issue 26 Pages 17907-17913
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Ab initio density functional theory (DFT) and DFT plus coherent potential approximation (DFT + CPA) are employed to reveal, respectively, the effect of in-plane strain and site-diagonal disorder on the electronic structure of cubic boron arsenide (BAs). It is demonstrated that tensile strain and static diagonal disorder both reduce the semiconducting one-particle band gap of BAs, and a V-shaped p-band electronic state emerges – enabling advanced valleytronics based on strained and disordered semiconducting bulk crystals. At biaxial tensile strains close to 15% the valence band lineshape relevant for optoelectronics is shown to coincide with one reported for GaAs at low energies. The role played by static disorder on the As sites is to promote p-type conductivity in the unstrained BAs bulk crystal, consistent with experimental observations. These findings illuminate the intricate and interdependent changes in crystal structure and lattice disorder on the electronic degrees of freedom of semiconductors and semimetals.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001008414700001 Publication Date (up) 2023-06-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.9; 2023 IF: 3.108
Call Number UA @ admin @ c:irua:197317 Serial 8861
Permanent link to this record