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Author Foltyn, M.; Norowski, K.; Wyszynski, M.J.; De Arruda, A.S.; Milošević, M.V.; Zgirski, M. doi  openurl
  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 (down) 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 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  
Permanent link to this record
 

 
Author Jorissen, B.; Covaci, L.; Partoens, B. url  doi
openurl 
  Title Comparative analysis of tight-binding models for transition metal dichalcogenides Type A1 Journal article
  Year 2024 Publication SciPost physics core Abbreviated Journal  
  Volume 7 Issue 1 Pages 004-30  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract (down) We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a thorough comparison of their effectiveness in capturing important electronic properties. Based on these insights, we propose a novel TB model for TMDs designed for enhanced computational efficiency. Utilizing MoS2 as a representative case, we explain why specific models offer a more accurate description. Our primary aim is to assist researchers in choosing the most appropriate TB model for their calculations on TMDs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001170769300001 Publication Date 2024-02-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:202983 Serial 9012  
Permanent link to this record
 

 
Author Long, Y.; Wang, X.; Zhang, H.; Wang, K.; Ong, W.-L.; Bogaerts, A.; Li, K.; Lu, C.; Li, X.; Yan, J.; Tu, X.; Zhang, H. url  doi
openurl 
  Title Plasma chemical looping : unlocking high-efficiency CO₂ conversion to clean CO at mild temperatures Type A1 Journal article
  Year 2024 Publication JACS Au Abbreviated Journal  
  Volume Issue Pages  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract (down) We propose a plasma chemical looping CO2 splitting (PCLCS) approach that enables highly efficient CO2 conversion into O-2-free CO at mild temperatures. PCLCS achieves an impressive 84% CO2 conversion and a 1.3 mmol g(-1) CO yield, with no O-2 detected. Crucially, this strategy significantly lowers the temperature required for conventional chemical looping processes from 650 to 1000 degrees C to only 320 degrees C, demonstrating a robust synergy between plasma and the Ce0.7Zr0.3O2 oxygen carrier (OC). Systematic experiments and density functional theory (DFT) calculations unveil the pivotal role of plasma in activating and partially decomposing CO2, yielding a mixture of CO, O-2/O, and electronically/vibrationally excited CO2*. Notably, these excited CO2* species then efficiently decompose over the oxygen vacancies of the OCs, with a substantially reduced activation barrier (0.86 eV) compared to ground-state CO2 (1.63 eV), contributing to the synergy. This work offers a promising and energy-efficient pathway for producing O-2-free CO from inert CO2 through the tailored interplay of plasma and OCs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001225139200001 Publication Date 2024-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:205970 Serial 9166  
Permanent link to this record
 

 
Author Demirtas, M.; Odaci, C.; Perkgoz, N.K.; Sevik, C.; Ay, F. doi  openurl
  Title Low Loss Atomic Layer Deposited Al2O3 Waveguides for Applications in On-Chip Optical Amplifiers Type A1 Journal article
  Year 2018 Publication IEEE journal of selected topics in quantum electronics Abbreviated Journal  
  Volume 24 Issue 4 Pages 3100508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract (down) We present the growth and optimization of ultralow loss Si-based Al2O3 planar waveguides, which have a high potential to boost the performance of rare-earth ion doped waveguide devices operating at visible and C-band wavelength ranges. The planar waveguide structures are grown using thermal atomic layer deposition. Systematic characterization of the obtained thin films is performed by spectroscopic ellipsometry, X-ray diffraction, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy analyses, and the optimum parameters are identified. The optical loss measurements for both transverse electric (TE) and transverse magnetic polarized light at 633, 829, and 1549 nm are performed. The lowest propagation loss value of 0.04 +/- 0.02 dB/cm for the Al2O3 waveguides for TE polarization at 1549 nm is demonstrated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000431396300001 Publication Date 2018-04-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1077-260x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:193780 Serial 8187  
Permanent link to this record
 

 
Author Cataldo, M.; Evangelista, H.; Simões, J.C.; Godoi, R.H.M.; Simmonds, I.; Hollanda, M.H.; Wainer, I.; Aquino, F.; Van Grieken, R. url  doi
openurl 
  Title Mineral dust variability in central West Antarctica associated with ozone depletion Type A1 Journal article
  Year 2013 Publication Atmospheric chemistry and physics Abbreviated Journal  
  Volume 13 Issue 4 Pages 2165-2175  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract (down) We present here data of mineral dust variability retrieved from an ice core of the central West Antarctic, spanning the last five decades. Main evidence provided by the geochemical analysis is that northerly air mass incursions to the coring site, tracked by insoluble dust microparticles, have declined over the past 50 yr. This result contrasts with dust records from ice cores reported to the coastal West Antarctic that show increases since mid-20th century. We attribute this difference to regional climatic changes due to the ozone depletion and its implications to westerly winds. We found that the diameters of insoluble microparticles in the central West Antarctica ice core are significantly correlated with cyclone depth (energy) and wind intensity around Antarctica.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315406600027 Publication Date 2013-02-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1680-7316; 1680-7324 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:105832 Serial 8250  
Permanent link to this record
 

 
Author Saiz, F.; Karaaslan, Y.; Rurali, R.; Sevik, C. url  doi
openurl 
  Title Interatomic potential for predicting the thermal conductivity of zirconium trisulfide monolayers with molecular dynamics Type A1 Journal article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys  
  Volume 129 Issue 15 Pages 155105  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract (down) We present here a new interatomic potential parameter set to predict the thermal conductivity of zirconium trisulfide monolayers. The generated Tersoff-type force field is parameterized using data collected with first-principles calculations. We use non-equilibrium molecular dynamics simulations to predict the thermal conductivity. The generated parameters result in very good agreement in structural, mechanical, and dynamical parameters. The room temperature lattice thermal conductivity ( kappa) of the considered crystal is predicted to be kappa x x = 25.69Wm – 1K – 1 and kappa y y = 42.38Wm – 1K – 1, which both agree well with their corresponding first-principles values with a discrepancy of less than 5%. Moreover, the calculated kappa variation with temperature (200 and 400 K) are comparable within the framework of the accuracy of both first-principles and molecular dynamics simulations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000641993600001 Publication Date 2021-04-19  
  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 2.068 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:178234 Serial 8112  
Permanent link to this record
 

 
Author Wiorek, A.; Parrilla, M.; Cuartero, M.; Crespo, G.A. url  doi
openurl 
  Title Epidermal patch with glucose biosensor : pH and temperature correction toward more accurate sweat analysis during sport practice Type A1 Journal article
  Year 2020 Publication Analytical Chemistry Abbreviated Journal Anal Chem  
  Volume 92 Issue 14 Pages 10153-10161  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract (down) We present an epidermal patch for glucose analysis in sweat incorporating for the first time pH and temperature correction according to local dynamic fluctuations in sweat during on-body tests. This sort of correction is indeed the main novelty of the paper, being crucial toward reliable measurements in every sensor based on an enzymatic element whose activity strongly depends on pH and temperature. The results herein reported for corrected glucose detection during on-body measurements are supported by a two-step validation protocol: with the biosensor operating off- and on-bodily, correlating the results with UV-vis spectrometry and/or ion chromatography. Importantly, the wearable device is a flexible skin patch that comprises a microfluidic cell designed with a sweat collection zone coupled to a fluidic channel in where the needed electrodes are placed: glucose biosensor, pH potentiometric electrode and a temperature sensor. The glucose biosensor presents a linear range of response within the expected physiological levels of glucose in sweat (10-200 mu M), and the calibration parameters are dynamically adjusted to any change in pH and temperature during the sport practice by means of a new “correction approach”. In addition, the sensor displays a fast response time, appropriate selectivity, and excellent reversibility. A total of 9 validated on-body tests are presented: the outcomes revealed a great potential of the wearable glucose sensor toward the provision of reliable physiological data linked to individuals during sport activity. In particular, the developed “correction approach” is expected to impact into the next generation of wearable devices that digitalize physiological activities through chemical information in a trustable manner for both sport and healthcare applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000554986200089 Publication Date 2020-06-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.4 Times cited Open Access  
  Notes Approved Most recent IF: 7.4; 2020 IF: 6.32  
  Call Number UA @ admin @ c:irua:175265 Serial 7931  
Permanent link to this record
 

 
Author Annys, A.; Jannis, D.; Verbeeck, J. doi  openurl
  Title Core-loss EELS dataset and neural networks for element identification Type Dataset
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Dataset; Electron microscopy for materials research (EMAT)  
  Abstract (down) We present a large dataset containing simulated core-loss electron energy loss spectroscopy (EELS) spectra with the elemental content as ground-truth labels. Additionally we present some neural networks trained on this data for element identification.  The simulated dataset contains zero padded core-loss spectra from 0 to 3072 eV, which represents 107 core-loss edges through all 80 elements from Be up to Bi. The core-loss edges are calculated from the generalised oscillator strength (GOS) database presented by Zhang et al.[1] Generic fine structures using lifetime broadened peaks are used to imitate fine structure due to solid-state effects in experimental spectra. Generic low-loss regions are used to imitate the effect of multiple scattering. Each spectrum contains at least one edge of a given query element and possibly additional edges depending on samples drawn from The Materials Project [2]. The dataset contains for each of the 80 elements: 7000 training spectra, 1500 test spectra, 600 validation spectra and 100 spectra representing only the query element. This results in a total 736 000 labeled spectra. Code on how to  – read the simulated data – transform HDF5 format to TFRecord format – train and evaluate neural networks using the simulated data – use the trained networks for automated element identification is available on GitHub at arnoannys/EELS_ID A full report on the simulation of the dataset and the training and evaluation of the neural networks can be found at:                    Annys, A., Jannis, D. & Verbeeck, J. Deep learning for automated materials characterisation in core-loss electron energy loss spectroscopy. Sci Rep 13, 13724 (2023). https://doi.org/10.1038/s41598-023-40943-7 [1] Zezhong Zhang, Ivan Lobato, Daen Jannis, Johan Verbeeck, Sandra Van Aert, & Peter Nellist. (2023). Generalised oscillator strength for core-shell electron excitation by fast electrons based on Dirac solutions (1.0) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.7729585 [2] Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, Kristin A. Persson; Commentary: The Materials Project: A materials genome approach to accelerating materials innovation. APL Mater 1 July 2013; 1 (1): 011002. [https://doi.org/10.1063/1.4812323](https://doi.org/10.1063/1.4812323)  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:203391 Serial 9015  
Permanent link to this record
 

 
Author Schalm, O.; Cabal, A.; Anaf, W.; Leyva Pernia, D.; Callier, J.; Ortega, N. pdf  doi
openurl 
  Title A decision support system for preventive conservation : from measurements towards decision making Type A1 Journal article
  Year 2019 Publication The European Physical Journal Plus Abbreviated Journal  
  Volume 134 Issue 2 Pages 74-11  
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Systems and software Modelling (AnSyMo); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract (down) We present a decision-support system that guides heritage guardians in selecting mitigation actions to improve the indoor air quality and thus the preservation conditions of indoor collections in heritage buildings. This contribution shows that it is feasible to build a decision support system dedicated to preventive conservation when the following barriers are overcome: 1) simultaneous measurement of a wide range of environmental parameters in order to detect a larger number of undesired situations; 2) development of an algorithm to perform reproducible indoor air quality assessments; and 3) transformation of the air quality assessment into a graph that can be read intuitively without causing a wide variation of interpretations among stakeholders. An important aspect of the decision support system is that it reduces several sources of uncertainty that hamper reliable indoor air quality assessments. The possibilities of such a system are illustrated with a measurement campaign in a church where a heating system has been installed and used for the first time.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000459506300002 Publication Date 2019-02-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2190-5444 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:157817 Serial 7756  
Permanent link to this record
 

 
Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. pdf  doi
openurl 
  Title Ab initio modeling of few-layer dilute magnetic semiconductors Type P1 Proceeding
  Year 2021 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2021, Dallas, TX Abbreviated Journal  
  Volume Issue Pages 141-145  
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract (down) We present a computational model to model the magnetic structure of two-dimensional (2D) dilute-magnetic-semiconductors (DMS) both the monolayers and multilayers using first-principles density functional theory (DFT), as well as their magnetic phase transition as a function of temperature using Monte-Carlo simulations. Using our method, we model the magnetic structure of bulk, bilayer, and monolayer MoS2 substitutionally doped with Fe atoms. We find that the out-of-plane interaction in bilayer MoS2 is weakly ferromagnetic, whereas in bulk MoS2 it is strongly anti-ferromagnetic. Finally, we show that the magnetic order is more robust in bilayer Fe-doped MoS2 compared to the monolayer and results in a room-temperature FM at an atomic substitution of 14-16%.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000766985400034 Publication Date 2021-11-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-1-6654-0685-7 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:187291 Serial 7401  
Permanent link to this record
 

 
Author Vos, P.E.J.; Nikolova, I.; Janssen, S. pdf  doi
openurl 
  Title A high-order model for accurately simulating the size distribution of ultrafine particles in a traffic tunnel Type A1 Journal article
  Year 2012 Publication Atmospheric environment : an international journal Abbreviated Journal  
  Volume 59 Issue Pages 415-425  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract (down) We present a computational model for simulating the dispersion of traffic emitted particulate matter inside a road tunnel, with an emphasis on the number concentration of ultrafine particles (UFP). The model primarily calculates the size distribution of the particle number concentration at each location inside the tunnel. The proposed model differs from existing models in the sense that it uses a continuous representation of the size distribution based upon the high-order finite element method and that it solves the governing equations using the state-of-the-art discontinuous Galerkin method. Next to the traditional transport processes, the model also implements the most important aerosol transformation processes such as coagulation, condensation and dry deposition. It is shown that based upon parametrisations found in literature, the process of condensation in a traffic tunnel cannot properly be modelled. Therefore, we present a correction factor that allows for a better parametrisation. The adequate performance of the model is demonstrated by both a verification study and a validation study. For the verification we show that the discretisation error converges consistently while for the validation we compare the modelled results with a suitable set of data from a UFP measurement campaign in a Taiwanese traffic tunnel. The model is shown to correctly simulate the observed behaviour and by applying a statistical model evaluation we demonstrate that the proposed model meets widely accepted air quality model acceptance criteria. (C) 2012 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000309081100047 Publication Date 2012-05-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1352-2310 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:101793 Serial 8033  
Permanent link to this record
 

 
Author Friedrich, T.; Yu, C.-P.; Verbeek, J.; Pennycook, T.; Van Aert, S. pdf  url
doi  openurl
  Title Phase retrieval from 4-dimensional electron diffraction datasets Type P1 Proceeding
  Year 2021 Publication Proceedings T2 – IEEE International Conference on Image Processing (ICIP), SEP 19-22, 2021, Electr. network Abbreviated Journal  
  Volume Issue Pages 3453-3457  
  Keywords P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract (down) We present a computational imaging mode for large scale electron microscopy data, which retrieves a complex wave from noisy/sparse intensity recordings using a deep learning approach and subsequently reconstructs an image of the specimen from the Convolutional Neural Network (CNN) predicted exit waves. We demonstrate that an appropriate forward model in combination with open data frameworks can be used to generate large synthetic datasets for training. In combination with augmenting the data with Poisson noise corresponding to varying dose-values, we effectively eliminate overfitting issues. The U-NET[1] based architecture of the CNN is adapted to the task at hand and performs well while maintaining a relatively small size and fast performance. The validity of the approach is confirmed by comparing the reconstruction to well-established methods using simulated, as well as real electron microscopy data. The proposed method is shown to be effective particularly in the low dose range, evident by strong suppression of noise, good spatial resolution, and sensitivity to different atom types, enabling the simultaneous visualisation of light and heavy elements and making different atomic species distinguishable. Since the method acts on a very local scale and is comparatively fast it bears the potential to be used for near-real-time reconstruction during data acquisition.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000819455103114 Publication Date 2021-08-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-1-6654-4115-5 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:189462 Serial 7089  
Permanent link to this record
 

 
Author Guzzinati, G.; Das, P.P.; Zompra, A., A.; Nicopoulos, S.; Verbeeck, J. doi  openurl
  Title Electron energy loss spectra of several organic compounds Type Dataset
  Year 2020 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Dataset; Electron microscopy for materials research (EMAT)  
  Abstract (down) We placed crystals of different compounds to explore the possibility of fingerprinting them through EELS. Here are representative datasets of 7 different compounds: b-cyclodextrin hexacarboxy cyclohexane tannin TH-15 peptide TH-27 peptide two different forms of piroxicam The datasets were collected at EMAT, using a monochromated FEI Titan3 TEM, within the scope of an EUSMI request. More information as well as analysis methodologies adopted for the data are detailed in the paper: Das et al. “Reliable Characterization of Organic & Pharmaceutical Compounds with High Resolution Monochromated EEL Spectroscopy”, Polymers 2020, 12(7), 1434.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:180654 Serial 6866  
Permanent link to this record
 

 
Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. pdf  doi
openurl 
  Title Carrier transport in a two-dimensional topological insulator nanoribbon in the presence of vacancy defects Type P1 Proceeding
  Year 2018 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 24-26, 2018, Austin, TX Abbreviated Journal  
  Volume Issue Pages 92-96  
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract (down) We model transport through two-dimensional topological insulator (TI) nanoribbons. To model the quantum transport, we employ the non-equilibrium Green's function approach. With the presented approach, we study the effect of lattice imperfections on the carrier transport. We observe that the topologically protected edge states of TIs are robust against a high percentage (2%) of vacancy defects. We also investigate tunneling of the edge states in two decoupled TI nanoribbons.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000516619300024 Publication Date 2018-12-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-1-5386-6790-3; 1946-1577; 978-1-5386-6791-0 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:181281 Serial 7579  
Permanent link to this record
 

 
Author Osca, J.; Sorée, B. doi  openurl
  Title Torque field and skyrmion motion by spin transfer torque in a quasi-2D interface in presence of strong spin-orbit interaction Type A1 Journal article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys  
  Volume 130 Issue 13 Pages 133903  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract (down) We investigate the torque field and skyrmion motion at an interface between a ferromagnet hosting a skyrmion and a material with a strong spin-orbit interaction. We analyze both semiconductor materials and topological insulators using a Hamiltonian model that includes a linear term. The spin torque-inducing current is considered to flow in the single band limit; therefore, a quantum model of current is used. Skyrmion motion due to spin transfer torque proves to be more difficult in the presence of a spin-orbit interaction in the case where only interface in-plane currents are present. However, edge effects in narrow nanowires can be used to drive the skyrmion motion and to exert a limited control on its motion direction. We also show the differences and similarities between torque fields due to electric current in the many and single band limits. Published under an exclusive license by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000755090400003 Publication Date 2021-10-07  
  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 2.068 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:186452 Serial 7034  
Permanent link to this record
 

 
Author Menezes, R.M.; Sardella, E.; Cabral, L.R.E.; de Souza Silva, C.C. doi  openurl
  Title Self-assembled vortex crystals induced by inhomogeneous magnetic textures Type A1 Journal article
  Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal  
  Volume 31 Issue 17 Pages 175402  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract (down) We investigate the self-assembly of vortices in a type-II superconducting disk subjected to highly nonuniform confining potentials produced by inhomogeneous magnetic textures. Using a series of numerical experiments performed within the Ginzburg–Landau theory, we show that vortices can arrange spontaneously in highly nonuniform, defect-free crystals, reminiscent of conformal lattices, even though the strict conditions for the conformal crystal are not fulfilled. These results contradict continuum-limit theory, which predicts that the order of a nonuniform crystal is unavoidably frustrated by the presence of topological defects. By testing different cooling routes of the superconductor, we observed several different self-assembled configurations, each of which corresponding to one in a set of allowed conformal transformations, which depends on the magnetic and thermal histories of the system.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2019-01-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:191094 Serial 8511  
Permanent link to this record
 

 
Author Pascucci, F.; Conti, S.; Perali, A.; Tempère, J.; Neilson, D. url  doi
openurl 
  Title Effects of intralayer correlations on electron-hole double-layer superfluidity Type A1 Journal article
  Year 2024 Publication Physical review B Abbreviated Journal  
  Volume 109 Issue 9 Pages 094512-94515  
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)  
  Abstract (down) We investigate the intralayer correlations acting within the layers in a superfluid system of electron -hole spatially separated layers. In this system, superfluidity is predicted to be almost exclusively confined to the Bose-Einstein condensate (BEC) and crossover regimes where the electron -hole pairs are well localized. In this case, Hartree-Fock is an excellent approximation for the intralayer correlations. We find in the BEC regime that the effect of the intralayer correlations on superfluid properties is negligible but in the BCS-BEC crossover regime the superfluid gap is significantly weakened by the intralayer correlations. This is caused by the intralayer correlations boosting the number of low -energy particle -hole excitations that drive the screening. We further find that the intralayer correlations suppress the predicted phenomenon in which the average pair size passes through a minimum as the crossover regime is traversed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001199662600001 Publication Date 2024-03-18  
  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  
  Impact Factor 3.7 Times cited Open Access  
  Notes Approved Most recent IF: 3.7; 2024 IF: 3.836  
  Call Number UA @ admin @ c:irua:205476 Serial 9145  
Permanent link to this record
 

 
Author Silva, F.C.O.; Menezes, R.M.; Cabral, L.R.E.; de Souza Silva, C.C. doi  openurl
  Title Formation and stability of conformal spirals in confined 2D crystals Type A1 Journal article
  Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 32 Issue 50 Pages 505401  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract (down) We investigate the ground-state and dynamical properties of nonuniform two-dimensional (2D) clusters of long-range interacting particles. We demonstrate that, when the confining external potential is designed to produce an approximate 1/ r 2 density profile, the particles crystallize into highly ordered structures featuring spiral crystalline lines. Despite the strong inhomogeneity of the observed configurations, most of them are characterized by small density of topological defects, typical of conformal crystals, and the net topological charge induced by the simply-connected geometry of the system is concentrated near the cluster center. These crystals are shown to be robust with respect to thermal fluctuations up to a certain threshold temperature, above which the net charge is progressively redistributed from the center to the rest of the system and the topological order is lost. The crystals are also resilient to the shear stress produced by a small nonuniform azimuthal force field, rotating as a rigid body (RB). For larger forces, topological defects proliferate and the RB rotation gives place to plastic flow.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2020-08-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record  
  Impact Factor 2.7 Times cited Open Access  
  Notes Approved Most recent IF: 2.7; 2020 IF: 2.649  
  Call Number UA @ admin @ c:irua:191093 Serial 7978  
Permanent link to this record
 

 
Author Linek, J.; Wyszynski, M.; Müller, B.; Korinski, D.; Milošević, M.V.; Kleiner, R.; Koelle, D. pdf  doi
openurl 
  Title On the coupling of magnetic moments to superconducting quantum interference devices Type A1 Journal article
  Year 2024 Publication Superconductor science and technology Abbreviated Journal  
  Volume 37 Issue 2 Pages 025010-25012  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract (down) We investigate the coupling factor phi( mu) that quantifies the magnetic flux phi per magnetic moment mu of a point-like magnetic dipole that couples to a superconducting quantum interference device (SQUID). Representing the dipole by a tiny current-carrying (Amperian) loop, the reciprocity of mutual inductances of SQUID and Amperian loop provides an elegant way of calculating phi(mu)(r,e(mu)) vs. position r and orientation e(mu) of the dipole anywhere in space from the magnetic field B-J(r) produced by a supercurrent circulating in the SQUID loop. We use numerical simulations based on London and Ginzburg-Landau theory to calculate phi (mu) from the supercurrent density distributions in various superconducting loop geometries. We treat the far-field regime ( r greater than or similar to a= inner size of the SQUID loop) with the dipole placed on (oriented along) the symmetry axis of circular or square shaped loops. We compare expressions for phi (mu) from simple filamentary loop models with simulation results for loops with finite width w (outer size A > alpha), thickness d and London penetration depth lambda(L )and show that for thin ( d << alpha ) and narrow (w < alpha) loops the introduction of an effective loop size a(eff) in the filamentary loop-model expressions results in good agreement with simulations. For a dipole placed right in the center of the loop, simulations provide an expression phi(mu)(a,A,d,lambda(L)) that covers a wide parameter range. In the near-field regime (dipole centered at small distance z above one SQUID arm) only coupling to a single strip representing the SQUID arm has to be considered. For this case, we compare simulations with an analytical expression derived for a homogeneous current density distribution, which yields excellent agreement for lambda(L)>w,d . Moreover, we analyze the improvement of phi(mu) provided by the introduction of a narrow constriction in the SQUID arm below the magnetic dipole.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001145725500001 Publication Date 2024-01-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.6 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.6; 2024 IF: 2.878  
  Call Number UA @ admin @ c:irua:202759 Serial 9067  
Permanent link to this record
 

 
Author Biondo, O.; Hughes, A.; van der Steeg, A.; Maerivoet, S.; Loenders, B.; van Rooij, G.; Bogaerts, A. pdf  doi
openurl 
  Title Power concentration determined by thermodynamic properties in complex gas mixtures : the case of plasma-based dry reforming of methane Type A1 Journal article
  Year 2023 Publication Plasma sources science and technology Abbreviated Journal  
  Volume 32 Issue 4 Pages 045001-45020  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract (down) We investigate discharge contraction in a microwave plasma at sub-atmospheric pressure, operating in CO2 and CO2/CH4 mixtures. The rise of the electron number density with plasma contraction intensifies the gas heating in the core of the plasma. This, in turn, initiates fast core-periphery transport and defines the rate of thermal chemistry over plasma chemistry. In this context, power concentration describes the overall mechanism including plasma contraction and chemical kinetics. In a complex chemistry such as dry reforming of methane, transport of reactive species is essential to define the performance of the reactor and achieve the desired outputs. Thus, we couple experimental observations and thermodynamic calculations for model validation and understanding of reactor performance. Adding CH4 alters the thermodynamic properties of the mixture, especially the reactive component of the heat conductivity. The increase in reactive heat conductivity increases the pressure at which plasma contraction occurs, because higher rates of gas heating are required to reach the same temperature. In addition, we suggest that the predominance of heat conduction over convection is a key condition to observe the effect of heat conductivity on gas temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000963579500001 Publication Date 2023-03-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0963-0252 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.8 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.8; 2023 IF: 3.302  
  Call Number UA @ admin @ c:irua:196044 Serial 8397  
Permanent link to this record
 

 
Author Clima, S.; McMitchell, S.R.C.; Florent, K.; Nyns, L.; Popovici, M.; Ronchi, N.; Di Piazza, L.; Van Houdt, J.; Pourtois, G. pdf  openurl
  Title First-principles perspective on poling mechanisms and ferroelectric/antiferroelectric behavior of Hf1-xZrxO2 for FEFET applications Type P1 Proceeding
  Year 2018 Publication 2018 Ieee International Electron Devices Meeting (iedm) Abbreviated Journal  
  Volume Issue Pages  
  Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract (down) 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.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000459882300073 Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-1-72811-987-8; 978-1-72811-987-8 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:158693 Serial 7972  
Permanent link to this record
 

 
Author Pascucci, F.; Conti, S.; Neilson, D.; Tempère, J.; Perali, A. url  doi
openurl 
  Title Josephson effect as a signature of electron-hole superfluidity in bilayers of van der Waals heterostructures Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 106 Issue 22 Pages L220503-6  
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)  
  Abstract (down) We investigate a Josephson junction in an electron-hole superfluid in a double-layer transition metal dichalco-genide heterostructure. The observation of a critical tunneling current is a clear signature of superfluidity. In addition, we find the BCS-BEC crossover physics in the narrow barrier region controls the critical current across the entire system. The corresponding critical velocity, which is measurable in this system, has a maximum when the excitations pass from bosonic to fermionic. Remarkably, this occurs for the density at the boundary of the BEC to BCS-BEC crossover regime determined from the condensate fraction. This provides, in a semiconductor system, an experimental way to determine the position of this boundary.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000903924400007 Publication Date  
  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  
  Call Number UA @ admin @ c:irua:193402 Serial 7316  
Permanent link to this record
 

 
Author Kadu, A.; van Leeuwen, T.; Batenburg, K.J. pdf  url
doi  openurl
  Title CoShaRP : a convex program for single-shot tomographic shape sensing Type A1 Journal article
  Year 2021 Publication Inverse Problems Abbreviated Journal Inverse Probl  
  Volume 37 Issue 10 Pages 105005  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract (down) We introduce single-shot x-ray tomography that aims to estimate the target image from a single cone-beam projection measurement. This linear inverse problem is extremely under-determined since the measurements are far fewer than the number of unknowns. Moreover, it is more challenging than conventional tomography, where a sufficiently large number of projection angles forms the measurements, allowing for a simple inversion process. However, single-shot tomography becomes less severe if the target image is only composed of known shapes. This paper restricts analysis to target image function that can be decomposed into known compactly supported non-negative-valued functions termed shapes. Hence, the shape prior transforms a linear ill-posed image estimation problem to a non-linear problem of estimating the roto-translations of the shapes. We circumvent the non-linearity by using a dictionary of possible roto-translations of the shapes. We propose a convex program CoShaRP, to recover the dictionary coefficients successfully. CoShaRP relies on simplex-type constraints and can be solved quickly using a primal-dual algorithm. The numerical experiments show that CoShaRP recovers shape stably from moderately noisy measurements.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000691743700001 Publication Date 2021-07-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0266-5611 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.62 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 1.62  
  Call Number UA @ admin @ c:irua:181617 Serial 6859  
Permanent link to this record
 

 
Author Schneidewind, U.; van Berkel, M.; Anibas, C.; Vandersteen, G.; Schmidt, C.; Joris, I.; Seuntjens, P.; Batelaan, O.; Zwart, H.J. pdf  doi
openurl 
  Title LPMLE3: A novel 1-D approach to study water flow in streambeds using heat as a tracer Type A1 Journal article
  Year 2016 Publication Water resources research Abbreviated Journal  
  Volume 52 Issue 8 Pages 6596-6610  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract (down) We introduce LPMLE3, a new 1-D approach to quantify vertical water flow components at streambeds using temperature data collected in different depths. LPMLE3 solves the partial differential equation for coupled water flow and heat transport in the frequency domain. Unlike other 1-D approaches it does not assume a semi-infinite halfspace with the location of the lower boundary condition approaching infinity. Instead, it uses local upper and lower boundary conditions. As such, the streambed can be divided into finite subdomains bound at the top and bottom by a temperature-time series. Information from a third temperature sensor within each subdomain is then used for parameter estimation. LPMLE3 applies a low order local polynomial to separate periodic and transient parts (including the noise contributions) of a temperature-time series and calculates the frequency response of each subdomain to a known temperature input at the streambed top. A maximum-likelihood estimator is used to estimate the vertical component of water flow, thermal diffusivity, and their uncertainties for each streambed subdomain and provides information regarding model quality. We tested the method on synthetic temperature data generated with the numerical model STRIVE and demonstrate how the vertical flow component can be quantified for field data collected in a Belgian stream. We show that by using the results in additional analyses, nonvertical flow components could be identified and by making certain assumptions they could be quantified for each subdomain. LPMLE3 performed well on both simulated and field data and can be considered a valuable addition to the existing 1-D methods.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000383684400051 Publication Date 2016-08-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0043-1397; 0043-137x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:144678 Serial 8189  
Permanent link to this record
 

 
Author Bal, K.M. pdf  url
doi  openurl
  Title Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work Type A1 Journal article
  Year 2021 Publication Journal Of Chemical Theory And Computation Abbreviated Journal J Chem Theory Comput  
  Volume 17 Issue 11 Pages 6766-6774  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract (down) We introduce a simple enhanced sampling approach for the calculation of free energy differences and barriers along a one-dimensional reaction coordinate. First, a small number of short nonequilibrium simulations are carried out along the reaction coordinate, and the Jarzynski equality is used to learn an approximate free energy surface from the nonequilibrium work distribution. This free energy estimate is represented in a compact form as an artificial neural network and used as an external bias potential to accelerate rare events in a subsequent molecular dynamics simulation. The final free energy estimate is then obtained by reweighting the equilibrium probability distribution of the reaction coordinate sampled under the influence of the external bias. We apply our reweighted Jarzynski sampling recipe to four processes of varying scales and complexities.spanning chemical reaction in the gas phase, pair association in solution, and droplet nucleation in supersaturated vapor. In all cases, we find reweighted Jarzynski sampling to be a very efficient strategy, resulting in rapid convergence of the free energy to high precision.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000718183600008 Publication Date 2021-10-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1549-9618 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.245 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 5.245  
  Call Number UA @ admin @ c:irua:184676 Serial 8479  
Permanent link to this record
 

 
Author Gorji, S.; Kashiwar, A.; Mantha, L.S.; Kruk, R.; Witte, R.; Marek, P.; Hahn, H.; Kübel, C.; Scherer, T. doi  openurl
  Title Nanowire facilitated transfer of sensitive TEM samples in a FIB Type A1 Journal article
  Year 2020 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 219 Issue Pages 113075  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract (down) We introduce a facile approach to transfer thin films and other mechanically sensitive TEM samples inside a FIB with minimal introduction of stress and bending. The method is making use of a pre-synthetized flexible freestanding Ag nanowire attached to the tip of a typical tungsten micromanipulator inside the FIB. The main advantages of this approach are the significantly reduced stress-induced bending during transfer and attachment of the TEM sample, the very short time required to attach and cut the nanowire, the operation at very low dose and ion current, and only using the e-beam for Pt deposition during the transfer of sensitive TEM samples. This results in a reduced sample preparation time and reduced exposure to the ion beam or e-beam for Pt deposition during the sample preparation and thus also reduced contamination and beam damage. The method was applied to a number of thin films and different TEM samples in order to illustrate the advantageous benefits of the concept. In particular, the technique has been successfully tested for the transfer of a thin film onto a MEMS heating chip for in situ TEM experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2020-07-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record  
  Impact Factor 2.2 Times cited Open Access  
  Notes Approved Most recent IF: 2.2; 2020 IF: 2.843  
  Call Number UA @ admin @ c:irua:183618 Serial 6871  
Permanent link to this record
 

 
Author Fuoco, T.; Cuartero, M.; Parrilla, M.; García-Guzmán, J.J.; Crespo, G.A.; Finne-Wistrand, A. url  doi
openurl 
  Title Capturing the real-time hydrolytic degradation of a library of biomedical polymers by combining traditional assessment and electrochemical sensors Type A1 Journal article
  Year 2021 Publication Biomacromolecules Abbreviated Journal Biomacromolecules  
  Volume 22 Issue 2 Pages 949-960  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract (down) We have developed an innovative methodology to overcome the lack of techniques for real-time assessment of degradable biomedical polymers at physiological conditions. The methodology was established by combining polymer characterization techniques with electrochemical sensors. The in vitro hydrolytic degradation of a series of aliphatic polyesters was evaluated by following the molar mass decrease and the mass loss at different incubation times while tracing pH and l-lactate released into the incubation media with customized miniaturized electrochemical sensors. The combination of different analytical approaches provided new insights into the mechanistic and kinetics aspects of the degradation of these biomedical materials. Although molar mass had to reach threshold values for soluble oligomers to be formed and specimens’ resorption to occur, the pH variation and l-lactate concentration were direct evidence of the resorption of the polymers and indicative of the extent of chain scission. Linear models were found for pH and released l-lactate as a function of mass loss for the l-lactide-based copolymers. The methodology should enable the sequential screening of degradable polymers at physiological conditions and has potential to be used for preclinical material’s evaluation aiming at reducing animal tests.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-01-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1525-7797 ISBN Additional Links UA library record  
  Impact Factor 5.246 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 5.246  
  Call Number UA @ admin @ c:irua:175296 Serial 7575  
Permanent link to this record
 

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

 
Author Wang, S.; Tian, H.; Sun, M. pdf  doi
openurl 
  Title Valley-polarized and enhanced transmission in graphene with a smooth strain profile Type A1 Journal article
  Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal  
  Volume 35 Issue 30 Pages 304002-304013  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract (down) We explore the influence of strain on the valley-polarized transmission of graphene by employing the wave-function matching and the non-equilibrium Green's function technique. When the transmission is along the armchair direction, we show that the valley polarization and transmission can be improved by increasing the width of the strained region and increasing (decreasing) the extensional strain in the armchair (zigzag) direction. It is noted that the shear strain does not affect transmission and valley polarization. Furthermore, when we consider the smooth strain barrier, the valley-polarized transmission can be enhanced by increasing the smoothness of the strain barrier. We hope that our finding can shed new light on constructing graphene-based valleytronic and quantum computing devices by solely employing strain.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000977124700001 Publication Date 2023-04-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.7; 2023 IF: 2.649  
  Call Number UA @ admin @ c:irua:196718 Serial 8953  
Permanent link to this record
 

 
Author Tchakoua, T.; Powell, A.D.; Gerrits, N.; Somers, M.F.; Doblhoff-Dier, K.; Busnengo, H.F.; Kroes, G.-J. url  doi
openurl 
  Title Simulating highly activated sticking of H₂ on Al(110) : quantum versus quasi-classical dynamics Type A1 Journal article
  Year 2023 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal  
  Volume 127 Issue 11 Pages 5395-5407  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract (down) We evaluate the importance of quantum effects on the sticking of H2 on Al(110) for conditions that are close to those of molecular beam experiments that have been done on this system. Calculations with the quasi-classical trajectory (QCT) method and with quantum dynamics (QD) are performed using a model in which only motion in the six molecular degrees of freedom is allowed. The potential energy surface used has a minimum barrier height close to the value recently obtained with the quantum Monte Carlo method. Monte Carlo averaging over the initial rovibrational states allowed the QD calculations to be done with an order of magnitude smaller computational expense. The sticking probability curve computed with QD is shifted to lower energies relative to the QCT curve by 0.21 to 0.05 kcal/mol, with the highest shift obtained for the lowest incidence energy. Quantum effects are therefore expected to play a small role in calculations that would evaluate the accuracy of electronic structure methods for determining the minimum barrier height to dissociative chemisorption for H2 + Al(110) on the basis of the standard procedure for comparing results of theory with molecular beam experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000971346700001 Publication Date 2023-03-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447; 1932-7455 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: 4.536  
  Call Number UA @ admin @ c:irua:196071 Serial 8525  
Permanent link to this record
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