|   | 
Details
   web
Records
Author Zhang, H.; Zhang, H.; Trenchev, G.; Li, X.; Wu, Y.; Bogaerts, A.
Title Multi-dimensional modelling of a magnetically stabilized gliding arc plasma in argon and CO2 Type A1 Journal article
Year 2020 Publication Plasma Sources Science & Technology Abbreviated Journal Plasma Sources Sci T
Volume 29 Issue 4 Pages 045019
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This study focuses on a magnetically stabilized gliding arc (MGA) plasma. Two fully coupled flow-plasma models (in 3D and 2D) are presented. The 3D model is applied to compare the arc dynamics of the MGA with a traditional gas-driven gliding arc. The 2D model is used for a detailed parametric study on the effect of the external magnetic field. The results show that the relative velocity between the plasma and feed gas is generated due to the Lorentz force, which can increase the plasma-treated gas fraction. The magnetic field also helps to decrease the gas temperature by enhancing heat transfer and to increase the electron number density. This work shows the potential of an external magnetic field to control the gliding arc behavior, for enhanced gas conversion at low gas flow rates.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000570241800001 Publication Date 2020-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.8 Times cited Open Access
Notes (up) Fonds Wetenschappelijk Onderzoek, G.0383.16N ; National Natural Science Foundation of China, 51706204 51707144 ; State Key Laboratory of Electrical Insulation and Power Equipment, EIPE19302 ; The authors acknowledge financial support from the Fund for Scientific Research—Flanders (FWO; Grant G.0383.16 N), National Natural Science Foundation of China under Grant Nos. 51706204, 51707144, and State Key Laboratory of Electrical Insulation and Power Equipment (EIPE19302). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and Universiteit Antwerpen. Finally, Hantian Zhang acknowledges financial support from the China Scholarship Council. Approved Most recent IF: 3.8; 2020 IF: 3.302
Call Number PLASMANT @ plasmant @c:irua:169218 Serial 6360
Permanent link to this record
 

 
Author Jannis, D.; Müller-Caspary, K.; Béché, A.; Verbeeck, J.
Title Coincidence Detection of EELS and EDX Spectral Events in the Electron Microscope Type A1 Journal article
Year 2021 Publication Applied Sciences-Basel Abbreviated Journal Appl Sci-Basel
Volume 11 Issue 19 Pages 9058
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Recent advances in the development of electron and X-ray detectors have opened up the possibility to detect single events from which its time of arrival can be determined with nanosecond resolution. This allows observing time correlations between electrons and X-rays in the transmission electron microscope. In this work, a novel setup is described which measures individual events using a silicon drift detector and digital pulse processor for the X-rays and a Timepix3 detector for the electrons. This setup enables recording time correlation between both event streams while at the same time preserving the complete conventional electron energy loss (EELS) and energy dispersive X-ray (EDX) signal. We show that the added coincidence information improves the sensitivity for detecting trace elements in a matrix as compared to conventional EELS and EDX. Furthermore, the method allows the determination of the collection efficiencies without the use of a reference sample and can subtract the background signal for EELS and EDX without any prior knowledge of the background shape and without pre-edge fitting region. We discuss limitations in time resolution arising due to specificities of the silicon drift detector and discuss ways to further improve this aspect.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000710160300001 Publication Date 2021-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2076-3417 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.679 Times cited 9 Open Access OpenAccess
Notes (up) Fonds Wetenschappelijk Onderzoek, G042920 ; Horizon 2020 Framework Programme, 101017720 ; Helmholtz-Fonds, VH-NG-1317 ; Approved Most recent IF: 1.679
Call Number EMAT @ emat @c:irua:183336 Serial 6821
Permanent link to this record
 

 
Author Van Hoecke, L.; Laffineur, L.; Campe, R.; Perreault, P.; Verbruggen, S.W.; Lenaerts, S.
Title Challenges in the use of hydrogen for maritime applications Type A1 Journal Article;Review article, Hydrogen Production, Hydrogen Storage, Maritime Applications
Year 2021 Publication Energy & Environmental Science Abbreviated Journal Energ Environ Sci
Volume Issue Pages
Keywords A1 Journal Article;Review article, Hydrogen Production, Hydrogen Storage, Maritime Applications; Sustainable energy, air and water technology (DuEL)
Abstract Maritime shipping is a key factor that enables the global economy, however the pressure it exerts on the environment is increasing rapidly. In order to reduce the emissions of harmful greenhouse gasses, the search is on for alternative fuels for the maritime shipping industry. In this work the usefulness of hydrogen and hydrogen carriers is being investigated as a fuel for sea going ships. Due to the low volumetric energy density of hydrogen under standard conditions, the need for efficient storage of this fuel is high. Key processes in the use of hydrogen are discussed, starting with the production of hydrogen from fossil and renewable sources. The focus of this review is different storage methods, and in this work we discuss the storage of hydrogen at high pressure, in liquefied form at cryogenic temperatures and bound to liquid or solid-state carriers. In this work a theoretical introduction to different hydrogen storage methods precedes an analysis of the energy-efficiency and practical storage density of the carriers. In the final section the major challenges and hurdles for the development of hydrogen storage for the maritime industry are discussed. The most likely challenges will be the development of a new bunkering infrastructure and suitable monitoring of the safety to ensure safe operation of these hydrogen carriers on board the ship.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000621101100009 Publication Date 2021-01-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1754-5692 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 29.518 Times cited Open Access OpenAccess
Notes (up) For the completion of this work we would like to thank, Compagnie Maritime Belge for initial funding 9 of the research into maritime hydrogen storage and the University of Antwerp for funding of the 10 Doctoral Project that allowed for the completion of this work. Approved Most recent IF: 29.518
Call Number DuEL @ duel @c:irua:174754 Serial 6668
Permanent link to this record
 

 
Author Biondo, O.; Fromentin, C.; Silva, T.; Guerra, V.; van Rooij, G.; Bogaerts, A.
Title Insights into the limitations to vibrational excitation of CO2: validation of a kinetic model with pulsed glow discharge experiments Type A1 Journal article
Year 2022 Publication Plasma Sources Science & Technology Abbreviated Journal Plasma Sources Sci T
Volume 31 Issue 7 Pages 074003
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Vibrational excitation represents an efficient channel to drive the dissociation of CO<sub>2</sub>in a non-thermal plasma. Its viability is investigated in low-pressure pulsed discharges, with the intention of selectively exciting the asymmetric stretching mode, leading to stepwise excitation up to the dissociation limit of the molecule. Gas heating is crucial for the attainability of this process, since the efficiency of vibration–translation (V–T) relaxation strongly depends on temperature, creating a feedback mechanism that can ultimately thermalize the discharge. Indeed, recent experiments demonstrated that the timeframe of V–T non-equilibrium is limited to a few milliseconds at ca. 6 mbar, and shrinks to the<italic>μ</italic>s-scale at 100 mbar. With the aim of backtracking the origin of gas heating in pure CO<sub>2</sub>plasma, we perform a kinetic study to describe the energy transfers under typical non-thermal plasma conditions. The validation of our kinetic scheme with pulsed glow discharge experiments enables to depict the gas heating dynamics. In particular, we pinpoint the role of vibration–vibration–translation relaxation in redistributing the energy from asymmetric to symmetric levels of CO<sub>2</sub>, and the importance of collisional quenching of CO<sub>2</sub>electronic states in triggering the heating feedback mechanism in the sub-millisecond scale. This latter finding represents a novelty for the modelling of low-pressure pulsed discharges and we suggest that more attention should be paid to it in future studies. Additionally, O atoms convert vibrational energy into heat, speeding up the feedback loop. The efficiency of these heating pathways, even at relatively low gas temperature and pressure, underpins the lifetime of V–T non-equilibrium and suggests a redefinition of the optimal conditions to exploit the ‘ladder-climbing’ mechanism in CO<sub>2</sub>discharges.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000839466500001 Publication Date 2022-07-01
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 OpenAccess
Notes (up) Fundação para a Ciência e a Tecnologia, PLA/0076/2021 ; H2020 Marie Skłodowska-Curie Actions, 813393 ; This research was supported by the European Union’s Horizon 2020 Research and Innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 813393 (PIONEER). V Guerra and T Silva were partially funded by the Portuguese ‘FCT-Fundação para a Ciência e a Tecnologia’, under Projects UIDB/50010/2020, UIDP/50010/2020, PTDC/FISPLA/1616/2021 and EXPL/FIS-PLA/0076/2021. The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 3.8
Call Number PLASMANT @ plasmant @c:irua:190008 Serial 7106
Permanent link to this record
 

 
Author Gkanatsiou, A.; Lioutas, C.B.; Frangis, N.; Polychroniadis, E.K.; Prystawko, P.; Leszczynski, M.; Altantzis, T.; Van Tendeloo, G.
Title Influence of 4H-SiC substrate miscut on the epitaxy and microstructure of AlGaN/GaN heterostructures Type A1 Journal article
Year 2019 Publication Materials science in semiconductor processing Abbreviated Journal Mat Sci Semicon Proc
Volume 91 Issue Pages 159-166
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract AlGaN/GaN heterostructures were grown on “on-axis” and 2° off (0001) 4H-SiC substrates by metalorganic vapor phase epitaxy (MOVPE). Structural characterization was performed by transmission electron microscopy. The dislocation density, being greater in the on-axis case, is gradually reduced in the GaN layer and is forming

dislocation loops in the lower region. Steps aligned along [11̅00] in the off-axis case give rise to simultaneous defect formation. In the on-axis case, an almost zero density of steps is observed, with the main origin of defects probably being the orientation mismatch at the grain boundaries between the small not fully coalesced AlN grains. V-shaped formations are observed in the AlN nucleation layer, but are more frequent in the off-axis case, probably enhanced by the presence of steps. These V-shaped formations are completely overgrown by the GaN layer, during the subsequent deposition, presenting AlGaN areas in the walls of the defect, indicating an interdiffusion between the layers. Finally, at the AlGaN/GaN heterostructure surface in the on-axis case, V-shapes are observed, with the AlN spacer and AlGaN (21% Al) thickness on relaxed GaN exceeding the critical thickness for relaxation. On the other hand, no relaxation in the form of V-shape creation is observed in the off-axis case, probably due to the smaller AlGaN thickness (less than 21% Al). The AlN spacer layer, grown in between the heterostructure, presents a uniform thickness and clear interfaces.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000454537700022 Publication Date 2018-11-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1369-8001 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.359 Times cited 1 Open Access Not_Open_Access
Notes (up) Funding: This work was supported by the IKY Fellowships of Excellence for Postgraduate Studies in Greece-SIEMENS Program; the Greek General Secretariat for Research and Technology, contract SAE 013/8–2009SE 01380012; and the JU ENIAC Project LAST POWER Large Area silicon carbide Substrates and heteroepitaxial GaN for POWER device applications [grant number 120218]. Also part of the research leading to these results has received funding from the European Union Seventh Framework Program under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative–I3). T.A. acknowledges financial support from the Research Foundation Flanders (FWO, Belgium) through a post-doctoral grant. Approved Most recent IF: 2.359
Call Number EMAT @ emat @UA @ admin @ c:irua:156200 Serial 5149
Permanent link to this record
 

 
Author Amin-Ahmadi, B.; Idrissi, H.; Galceran, M.; Colla, M.S.; Raskin, J.P.; Pardoen, T.; Godet, S.; Schryvers, D.
Title Effect of deposition rate on the microstructure of electron beam evaporated nanocrystalline palladium thin films Type A1 Journal article
Year 2013 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 539 Issue Pages 145-150
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The influence of the deposition rate on the formation of growth twins in nanocrystalline Pd films deposited by electron beam evaporation is investigated using transmission electron microscopy. Statistical measurements prove that twin boundary (TB) density and volume fraction of grains containing twins increase with increasing deposition rate. A clear increase of the dislocation density was observed for the highest deposition rate of 5 Å/s, caused by the increase of the internal stress building up during deposition. Based on crystallographic orientation indexation using transmission electron microscopy, it can be concluded that a {111} crystallographic texture increases with increasing deposition rate even though the {101} crystallographic texture remains dominant. Most of the TBs are fully coherent without any residual dislocations. However, for the highest deposition rate (5 Å/s), the coherency of the TBs decreases significantly as a result of the interaction of lattice dislocations emitted during deposition with the growth TBs. The analysis of the grain boundary character of different Pd films shows that an increasing fraction of high angle grain boundaries with misorientation angles around 5565° leads to a higher potential for twin formation.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000321111100025 Publication Date 2013-05-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.879 Times cited 13 Open Access
Notes (up) Fwo Approved Most recent IF: 1.879; 2013 IF: 1.867
Call Number UA @ lucian @ c:irua:109268 Serial 807
Permanent link to this record
 

 
Author Tirry, W.; Schryvers, D.; Jorissen, K.; Lamoen, D.
Title Electron-diffraction structure refinement of Ni4Ti3 precipitates in Ni52Ti48 Type A1 Journal article
Year 2006 Publication Acta crystallographica: section B: structural science Abbreviated Journal Acta Crystallogr B
Volume 62 Issue 6 Pages 966-971
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000241992300003 Publication Date 2006-11-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7681; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 30 Open Access
Notes (up) Fwo Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:61578 Serial 923
Permanent link to this record
 

 
Author Shi, H.; Frenzel, J.; Schryvers, D.
Title EM characterization of precipitates in as-cast and annealed Ni45.5Ti45.5Nb9 shape memory alloys Type P1 Proceeding
Year 2013 Publication Materials science forum Abbreviated Journal
Volume 738/739 Issue Pages 113-117
Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
Abstract Nb-rich precipitates in the matrix of as-cast and annealed Ni45.5Ti45.5Nb9 alloys are investigated by scanning and scanning transmission electron microscopy, including slice-and-view and geometric phase analysis (GPA). The Nb-rich bcc nano-precipitates in the as-cast alloy have a 10% lattice parameter difference with the B2 matrix and reveal compensating interface dislocations. The 3D reconstruction of the configuration of small Nb-rich precipitates in the annealed alloy reveals a wall-like distribution of precipitates, which may increase the thermal hysteresis of the material.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000316089000020 Publication Date 2013-03-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1662-9752; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes (up) Fwo Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:104690 Serial 1028
Permanent link to this record
 

 
Author Schryvers, D.; Shi, H.; Martinez, G.T.; Van Aert, S.; Frenzel, J.; Van Humbeeck, J.
Title Nano- and microcrystal investigations of precipitates, interfaces and strain fields in Ni-Ti-Nb by various TEM techniques Type P1 Proceeding
Year 2013 Publication Materials science forum T2 – 9th European Symposium on Martensitic Transformations (ESOMAT 2012), SEP 09-16, 2012, St Petersburg, RUSSIA Abbreviated Journal
Volume 738/739 Issue Pages 65-71
Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
Abstract In the present contribution several advanced electron microscopy techniques are employed in order to describe chemical and structural features of the nano- and microstructure of a Ni45.5Ti45.5Nb9 alloy. A line-up of Nb-rich nano-precipitates is found in the Ni-Ti-rich austenite of as-cast material. Concentration changes of the matrix after annealing are correlated with changes in the transformation temperatures. The formation of rows and plates of larger Nb-rich precipitates and particles is described. The interaction of a twinned martensite plate with a Nb-rich nano-precipitate is discussed and the substitution of Nb atoms on the Ti-sublattice in the matrix is confirmed.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000316089000011 Publication Date 2013-03-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1662-9752; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes (up) Fwo Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:104692 Serial 2247
Permanent link to this record
 

 
Author Vanhumbeeck, J.-F.; Tian, H.; Schryvers, D.; Proost, J.
Title Stress-assisted crystallisation in anodic titania Type A1 Journal article
Year 2011 Publication Corrosion science Abbreviated Journal Corros Sci
Volume 53 Issue 4 Pages 1269-1277
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The relationship between the microstructural and internal stress evolution during Ti anodising is discussed. Samples anodised galvanostatically to 12 V and 40 V, corresponding to different stages of the internal stress evolution, were examined by in-plane and cross-section transmission electron microscopy. Electron diffraction patterns have been complemented with stoichiometry data obtained from energy loss near edge structure spectra. The sample anodised to 40 V was observed to consist of two regions, with a crystallised inner region adjacent to the metal/oxide interface. Crystallisation of this region is associated with the presence of large compressive internal stresses which build up during anodising up to 12 V.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000288972000016 Publication Date 2010-12-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0010-938X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.245 Times cited 11 Open Access
Notes (up) Fwo Approved Most recent IF: 5.245; 2011 IF: 3.734
Call Number UA @ lucian @ c:irua:88385 Serial 3177
Permanent link to this record
 

 
Author Batuk, D.; Batuk, M.; Abakumov, A.M.; Hadermann, J.
Title Synergy between transmission electron microscopy and powder diffraction : application to modulated structures Type A1 Journal article
Year 2015 Publication Acta crystallographica: section B: structural science Abbreviated Journal Acta Crystallogr B
Volume 71 Issue 71 Pages 127-143
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The crystal structure solution of modulated compounds is often very challenging, even using the well established methodology of single-crystal X-ray crystallography. This task becomes even more difficult for materials that cannot be prepared in a single-crystal form, so that only polycrystalline powders are available. This paper illustrates that the combined application of transmission electron microscopy (TEM) and powder diffraction is a possible solution to the problem. Using examples of anion-deficient perovskites modulated by periodic crystallographic shear planes, it is demonstrated what kind of local structural information can be obtained using various TEM techniques and how this information can be implemented in the crystal structure refinement against the powder diffraction data. The following TEM methods are discussed: electron diffraction (selected area electron diffraction, precession electron diffraction), imaging (conventional high-resolution TEM imaging, high-angle annular dark-field and annular bright-field scanning transmission electron microscopy) and state-of-the-art spectroscopic techniques (atomic resolution mapping using energy-dispersive X-ray analysis and electron energy loss spectroscopy).
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000352166500002 Publication Date 2015-04-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2052-5206; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.032 Times cited 11 Open Access
Notes (up) Fwo G039211n Approved Most recent IF: 2.032; 2015 IF: NA
Call Number c:irua:124411 Serial 3408
Permanent link to this record
 

 
Author Boneschanscher, M.P.; Evers, W.H.; Geuchies, J.J.; Altantzis, T.; Goris, B.; Rabouw, F.T.; van Rossum, S.A.P.; van der Zant, H.S.J.; Siebbeles, L.D.A.; Van Tendeloo, G.; Swart, I.; Hilhorst, J.; Petukhov, A.V.; Bals, S.; Vanmaekelbergh, D.;
Title Long-range orientation and atomic attachment of nanocrystals in 2D honeycomb superlattices Type A1 Journal article
Year 2014 Publication Science Abbreviated Journal Science
Volume 344 Issue 6190 Pages 1377-1380
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Oriented attachment of synthetic semiconductor nanocrystals is emerging as a route for obtaining new semiconductors that can have Dirac-type electronic bands like graphene, but also strong spin-orbit coupling. The two-dimensional assembly geometry will require both atomic coherence and long-range periodicity of the superlattices. We show how the interfacial self-assembly and oriented attachment of nanocrystals results in two-dimensional (2D) metal chalcogenide semiconductors with a honeycomb superlattice. We present an extensive atomic and nanoscale characterization of these systems using direct imaging and wave scattering methods. The honeycomb superlattices are atomically coherent, and have an octahedral symmetry that is buckled; the nanocrystals occupy two parallel planes. Considerable necking and large-scale atomic motion occurred during the attachment process.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000337531700035 Publication Date 2014-05-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0036-8075;1095-9203; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 37.205 Times cited 304 Open Access OpenAccess
Notes (up) Fwo; 262348 Esmi; 246791 Countatoms; 335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 37.205; 2014 IF: 33.611
Call Number UA @ lucian @ c:irua:117095 Serial 1840
Permanent link to this record
 

 
Author Bals, S.; Van Aert, S.; Van Tendeloo, G.
Title High resolution electron tomography Type A1 Journal article
Year 2013 Publication Current opinion in solid state and materials science Abbreviated Journal Curr Opin Solid St M
Volume 17 Issue 3 Pages 107-114
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Reaching atomic resolution in 3D has been the ultimate goal in the field of electron tomography for many years. Significant progress, both on the theoretical as well as the experimental side has recently resulted in several exciting examples demonstrating the ability to visualise atoms in 3D. In this paper, we will review the different steps that have pushed the resolution in 3D to the atomic level. A broad range of methodologies and practical examples together with their impact on materials science will be discussed. Finally, we will provide an outlook and will describe future challenges in the field of high resolution electron tomography.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000323869800003 Publication Date 2013-03-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-0286; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.938 Times cited 24 Open Access
Notes (up) Fwo; 312483 Esteem; Countatoms; Approved Most recent IF: 6.938; 2013 IF: 7.167
Call Number UA @ lucian @ c:irua:109454 Serial 1457
Permanent link to this record
 

 
Author Tan, H.; Lebedev, O.I.; McLaughlin, A.C.; Van Tendeloo, G.
Title The superstructure and superconductivity of Ru1222 based RuSr2Gd2-x-yYyCexCu2O10-\delta compounds Type A1 Journal article
Year 2010 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech
Volume 23 Issue 11 Pages 115013-115013,8
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract For the first time, the local structure and physical properties of Ru1222 based compounds (RuSr(2)Gd(1.4)Ce(0.6)Cu(2)O(10-delta) and RuSr(2)Gd(1.8-x)Y(0.2)CexCu(2)O(10) (x = 0.90-0.55)) have been investigated and analyzed together on the very same compounds. The Ru1222 superstructure was confirmed by TEM at a local scale and was suggested to have an orthorhombic symmetry with space group Aba2 and lattice parameters a(s) similar or equal to root 2a, b(s) similar or equal to root 2a and c(s) = c. This new Ru1222 superstructure distortion from tetragonal symmetry is proposed to have a positive correlation with the superconductivity variation of these compounds. The more the distortion towards orthorhombic symmetry, the higher the critical superconducting temperature these compounds can achieve. The T(c)(0) of RuSr(2)Gd(1.8-x)Y(0.2)Ce(x)Cu(2)O(10-delta) (x = 0.85-0.55) increases monotonically from 4 to 16 K when x decreases from 0.85 to 0.70, then RuSr(2)Gd(2)Cu(2)O(8) defects emerge and the T(c) decreases with decreasing x. Ru1212 defects are observed to intergrow epitaxially with the Ru1222 structure as lamellas along the c-axis in RuSr(2)Gd(1.4)Ce(0.6)Cu(2)O(10-delta). Although Ru1212 is a superconductor, the intergrowth severely restrains its superconductivity.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000284308000013 Publication Date 2010-10-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.878 Times cited 1 Open Access
Notes (up) Fwo; Esteem 026019 Approved Most recent IF: 2.878; 2010 IF: 2.402
Call Number UA @ lucian @ c:irua:95553 Serial 3385
Permanent link to this record
 

 
Author Srivastava, A.K.; Yang, Z.; Schryvers, D.; van Hurnbeeck, J.
Title Effect of annealing on cold-rolled Ni-Ti alloys Type A1 Journal article
Year 2008 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 481 Issue Si Pages 594-597
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000255716100123 Publication Date 2007-06-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 8 Open Access
Notes (up) Fwo; G0465.05 Approved Most recent IF: 3.094; 2008 IF: 1.806
Call Number UA @ lucian @ c:irua:69141 Serial 797
Permanent link to this record
 

 
Author Schryvers, D.; Cao, S.; Tirry, W.; Idrissi, H.; Van Aert, S.
Title Advanced three-dimensional electron microscopy techniques in the quest for better structural and functional materials Type A1 Journal article
Year 2013 Publication Science and technology of advanced materials Abbreviated Journal Sci Technol Adv Mat
Volume 14 Issue 1 Pages 014206-14213
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract After a short review of electron tomography techniques for materials science, this overview will cover some recent results on different shape memory and nanostructured metallic systems obtained by various three-dimensional (3D) electron imaging techniques. In binary NiTi, the 3D morphology and distribution of Ni4Ti3 precipitates are investigated by using FIB/SEM slice-and-view yielding 3D data stacks. Different quantification techniques will be presented including the principal ellipsoid for a given precipitate, shape classification following a Zingg scheme, particle distribution function, distance transform and water penetration. The latter is a novel approach to quantifying the expected matrix transformation in between the precipitates. The different samples investigated include a single crystal annealed with and without compression yielding layered and autocatalytic precipitation, respectively, and a polycrystal revealing different densities and sizes of the precipitates resulting in a multistage transformation process. Electron tomography was used to understand the interaction between focused ion beam-induced Frank loops and long dislocation structures in nanobeams of Al exhibiting special mechanical behaviour measured by on-chip deposition. Atomic resolution electron tomography is demonstrated on Ag nanoparticles in an Al matrix.
Address
Corporate Author Thesis
Publisher Place of Publication Sendai Editor
Language Wos 000316463800008 Publication Date 2013-03-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1468-6996;1878-5514; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.798 Times cited 6 Open Access
Notes (up) Fwo; Iap; Esteem Approved Most recent IF: 3.798; 2013 IF: 2.613
Call Number UA @ lucian @ c:irua:107343 Serial 77
Permanent link to this record
 

 
Author Yang, Z.Q.; Schryvers, D.
Title Electron energy-loss spectroscopy study of NiTi shape memory alloys Type A1 Journal article
Year 2008 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 481 Issue Pages 214-217
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000255716100041 Publication Date 2007-06-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 7 Open Access
Notes (up) Gao Approved Most recent IF: 3.094; 2008 IF: 1.806
Call Number UA @ lucian @ c:irua:69156 Serial 934
Permanent link to this record
 

 
Author Potapov, P.L.; Tirry, W.; Schryvers, D.; Sivel, V.G.M.; Wu, M.-Y.; Aslanidis, D.; Zandbergen, H.
Title Cross-section transmission electron microscopy characterization of the near-surface structure of medical Nitinol superelastic tubing Type A1 Journal article
Year 2007 Publication Journal of materials science: materials in medicine Abbreviated Journal J Mater Sci-Mater M
Volume 18 Issue 3 Pages 483-492
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000244689700009 Publication Date 2007-02-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0957-4530;1573-4838; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.325 Times cited 14 Open Access
Notes (up) Gao; Fwo Approved Most recent IF: 2.325; 2007 IF: 1.581
Call Number UA @ lucian @ c:irua:63484 Serial 547
Permanent link to this record
 

 
Author Schryvers, D.; Tirry, W.; Yang, Z.Q.;
Title Measuring strain fields and concentration gradients around Ni4Ti3 precipitates Type A1 Journal article
Year 2006 Publication Materials science and engineering A: structural materials properties microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 438 Issue Pages 485-488
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000242900900105 Publication Date 2006-07-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 35 Open Access
Notes (up) Goa Approved Most recent IF: 3.094; 2006 IF: 1.490
Call Number UA @ lucian @ c:irua:62329 Serial 1969
Permanent link to this record
 

 
Author Rouwenhorst, K.H.R.; Jardali, F.; Bogaerts, A.; Lefferts, L.
Title Correction: From the Birkeland–Eyde process towards energy-efficient plasma-based NOXsynthesis: a techno-economic analysis Type A1 Journal Article
Year 2023 Publication Energy & Environmental Science Abbreviated Journal Energy Environ. Sci.
Volume 16 Issue 12 Pages 6170-6173
Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Correction for ‘From the Birkeland–Eyde process towards energy-efficient plasma-based NO<sub><italic>X</italic></sub>synthesis: a techno-economic analysis’ by Kevin H. R. Rouwenhorst<italic>et al.</italic>,<italic>Energy Environ. Sci.</italic>, 2021,<bold>14</bold>, 2520–2534, https://doi.org/10.1039/D0EE03763J.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2023-11-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1754-5692 ISBN Additional Links
Impact Factor 32.5 Times cited Open Access
Notes (up) H2020 European Research Council; Horizon 2020, 810182 ; Ministerie van Economische Zaken en Klimaat; Approved Most recent IF: 32.5; 2023 IF: 29.518
Call Number PLASMANT @ plasmant @ Serial 8980
Permanent link to this record
 

 
Author Rouwenhorst, K.H.R.; Jardali, F.; Bogaerts, A.; Lefferts, L.
Title From the Birkeland–Eyde process towards energy-efficient plasma-based NOXsynthesis: a techno-economic analysis Type A1 Journal article
Year 2021 Publication Energy & Environmental Science Abbreviated Journal Energ Environ Sci
Volume 14 Issue 5 Pages 2520-2534
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma-based NO<sub>X</sub>synthesis<italic>via</italic>the Birkeland–Eyde process was one of the first industrial nitrogen fixation methods. However, this technology never played a dominant role for nitrogen fixation, due to the invention of the Haber–Bosch process. Recently, nitrogen fixation by plasma technology has gained significant interest again, due to the emergence of low cost, renewable electricity. We first present a short historical background of plasma-based NO<sub>X</sub>synthesis. Thereafter, we discuss the reported performance for plasma-based NO<sub>X</sub>synthesis in various types of plasma reactors, along with the current understanding regarding the reaction mechanisms in the plasma phase, as well as on a catalytic surface. Finally, we benchmark the plasma-based NO<sub>X</sub>synthesis process with the electrolysis-based Haber–Bosch process combined with the Ostwald process, in terms of the investment cost and energy consumption. This analysis shows that the energy consumption for NO<sub>X</sub>synthesis with plasma technology is almost competitive with the commercial process with its current best value of 2.4 MJ mol N<sup>−1</sup>, which is required to decrease further to about 0.7 MJ mol N<sup>−1</sup>in order to become fully competitive. This may be accomplished through further plasma reactor optimization and effective plasma–catalyst coupling.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000639255800001 Publication Date 2021-03-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1754-5692 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 29.518 Times cited Open Access OpenAccess
Notes (up) H2020 European Research Council; Horizon 2020, 810182 ; Ministerie van Economische Zaken en Klimaat; This research was supported by the TKI-Energie from Toeslag voor Topconsortia voor Kennis en Innovatie (TKI) from the Ministry of Economic Affairs and Climate Policy, the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project). Approved Most recent IF: 29.518
Call Number PLASMANT @ plasmant @c:irua:178173 Serial 6763
Permanent link to this record
 

 
Author Bogaerts, A.; Neyts, E.C.; Guaitella, O.; Murphy, A.B.
Title Foundations of plasma catalysis for environmental applications Type A1 Journal article
Year 2022 Publication Plasma Sources Science & Technology Abbreviated Journal Plasma Sources Sci T
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma catalysis is gaining increasing interest for various applications, but the underlying mechanisms are still far from understood. Hence, more fundamental research is needed to understand these mechanisms. This can be obtained by both modelling and experiments. This foundations paper describes the fundamental insights in plasma catalysis, as well as efforts to gain more insights by modelling and experiments. Furthermore, it discusses the state-of-the-art of the major plasma catalysis applications, as well as successes and challenges of technology transfer of these applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000804396200001 Publication Date 2022-03-21
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 OpenAccess
Notes (up) H2020 Marie Skłodowska-Curie Actions, 823745 ; H2020 European Research Council, 810182 ; We acknowldege financial support from the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation programme (Grant Agreement No. 810182 – SCOPE ERC Synergy project) and the European Union’s Horizon 2020 Research and Innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 813393 (PIONEER). Approved Most recent IF: 3.8
Call Number PLASMANT @ plasmant @c:irua:188539 Serial 7070
Permanent link to this record
 

 
Author Tirry, W.; Coghe, F.; Bouvier, S.; Gasperini, M.; Rabet, L.; Schryvers, D.
Title A multi-scale characterization of deformation twins in Ti6Al4V sheet material deformed by simple shear Type A1 Journal article
Year 2010 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 527 Issue 16/17 Pages 4136-4145
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Ti6Al4V sheet material is subjected to simple shear deformation with strain ratio's of 10%, 30% and 50%. Optical microscopy, transmission electron microscopy and electron backscatter diffraction techniques are applied to study the presence and morphology of deformation twins. Only the View the MathML source type of twins seems to be present with a volume fraction below 1%. These View the MathML source twins show a high density of basal stacking faults of the ABABACAC type identified using atomic resolution transmission electron microscopy. A resolved shear stress analysis shows that twins most often occur on those planes with the highest resolved shear stresses, but that the starting texture is not beneficial for the occurrence of twins. It is further suggested that a transitory strain hardening regime observed around 530 MPa might be related with the onset of twinning.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000278766800068 Publication Date 2010-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 20 Open Access
Notes (up) Iap Approved Most recent IF: 3.094; 2010 IF: 2.101
Call Number UA @ lucian @ c:irua:82291 Serial 2212
Permanent link to this record
 

 
Author Abakumov, A.M.; Kalyuzhnaya, A.S.; Rozova, M.G.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.
Title Compositionally induced phase transition in the Ca2MnGa1-xAlxO5 solid solutions: ordering of tetrahedral chains in brownmillerite structure Type A1 Journal article
Year 2005 Publication Solid state sciences Abbreviated Journal Solid State Sci
Volume 7 Issue 7 Pages 801-811
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000230259500001 Publication Date 2005-04-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1293-2558; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.811 Times cited 38 Open Access
Notes (up) IAP V-1; RFBR 04-03-32785-a. Approved Most recent IF: 1.811; 2005 IF: 1.708
Call Number UA @ lucian @ c:irua:54700 Serial 448
Permanent link to this record
 

 
Author Vast, L.; Carpentier, L.; Lallemand, F.; Colomer, J.-F.; Van Tendeloo, G.; Fonseca, A.; Nagy, J.B.; Mekhalif, Z.; Delhalle, J.
Title Multiwalled carbon nanotubes functionalized with 7-octenyltrichlorosilane and n-octyltrichlorosilane: dispersion in Sylgard®184 silicone and Youngs modulus Type A1 Journal article
Year 2009 Publication Journal of materials science Abbreviated Journal J Mater Sci
Volume 44 Issue 13 Pages 3476-3482
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Sylgard®184/multiwalled carbon nanotube (MWNT) composites have been prepared by in situ polymerization using purified and functionalized multiwalled carbon nanotubes (f-MWNTs) as fillers. Surface modification of the MWNTs has been carried out by silanization with 7-octenyltrichlorosilane (7OTCS) and n-octyltrichlorosilane (nOTCS). The modification and dispersion of the carbon nanotubes in composites were characterized by X-ray photoelectron spectroscopy (XPS), transmission electron spectroscopy (TEM), and high-resolution transmission electron spectroscopy (HRTEM). Youngs modulus results were derived from indentation testing. It is shown that the terminal-vinyl group of 7OTCS molecules plays an essential role for both the dispersion of the f-MWNTs in the composite and its mechanical properties. At loading as low as 0.2 wt%, the Youngs modulus is shown to increase up to 50%. This is interpreted as resulting from a combination of the good compatibility in the forming silicone matrix of the MWNTs coated with a siloxane network, on the one hand, and the covalent links created between the terminal-vinyl groups and the host matrix in formation, on the other hand.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000267153200022 Publication Date 2009-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2461;1573-4803; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.599 Times cited 16 Open Access
Notes (up) Iuap Approved Most recent IF: 2.599; 2009 IF: 1.471
Call Number UA @ lucian @ c:irua:77844 Serial 2245
Permanent link to this record
 

 
Author Kalitzova, M.; Lebedev, O.I.; Zollo, G.; Gesheva, K.; Vlakhov, E.; Marinov, Y.; Ivanova, T.;
Title Dynamics of nanoclustering in Te+ implanted Si after application of high frequency electromagnetic field and thermal annealing Type A1 Journal article
Year 2008 Publication Applied physics A : materials science & processing Abbreviated Journal Appl Phys A-Mater
Volume 91 Issue 3 Pages 515-519
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Heidelberg Editor
Language Wos 000255089300027 Publication Date 2008-03-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0947-8396;1432-0630; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.455 Times cited Open Access
Notes (up) Iuap Vi Approved Most recent IF: 1.455; 2008 IF: 1.884
Call Number UA @ lucian @ c:irua:69129 Serial 780
Permanent link to this record
 

 
Author Jehanathan, N.; Georgieva, V.; Saraiva, M.; Depla, D.; Bogaerts, A.; Van Tendeloo, G.
Title The influence of Cr and Y on the micro structural evolution of Mg―Cr―O and Mg―Y―O thin films Type A1 Journal article
Year 2011 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 519 Issue 16 Pages 5388-5396
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT)
Abstract The compositional influence of Cr and Y on the microstructure of Mg―Cr―O, and Mg―Y―O films synthesized by reactive magnetron sputtering has been investigated by transmission electron microscopy, X-ray diffraction and molecular dynamics simulations. A decrease in crystallinity is observed in these films as the M (Cr or Y) content is increased. It is found that M forms a solid solution with MgO for metal ratios up to ~ 70% and ~ 50% for Cr and Y respectively. Above ~ 70% Cr metal ratio the Mg―Cr―O films are found to be completely amorphous. The Mg―Y―O films are composed of Mg(Y)O and Y2O3 nano crystallites, up to ~ 50% Y metal ratio. Above this ratio, only Y2O3 nano crystallites are found. The preferential < 111> MgO grain alignment is strongly affected by the increase in M content. For M metal ratios up to ~ 50%, there is a selective promotion of the < 100> MgO grain alignments and a decline in the < 111> grain alignments.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000292573500013 Publication Date 2011-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.879 Times cited 4 Open Access
Notes (up) Iwt Approved Most recent IF: 1.879; 2011 IF: 1.890
Call Number UA @ lucian @ c:irua:89516 Serial 1618
Permanent link to this record
 

 
Author Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y.
Title Accelerated molecular dynamics simulation of large systems with parallel collective variable-driven hyperdynamics Type A1 Journal article
Year 2020 Publication Computational Materials Science Abbreviated Journal Comp Mater Sci
Volume 177 Issue Pages 109581
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The limitation in time and length scale is a major issue of molecular dynamics (MD) simulation. Although several methods have been developed to extend the MD time scale, their performance usually deteriorates with increasing system size. Therefore, an acceleration method which is applicable to large systems is required to bridge the gap between the MD simulations and target phenomena. In this study, an accelerated MD method for large system is developed based on the collective variable-driven hyperdynamics (CVHD) method [K.M. Bal and E.C. Neyts, 2015]. The key idea is to run CVHD in parallel with rate control and accelerate multiple possible events simultaneously. Using this novel method, carbon diffusion in bcc-iron bicrystal with grain boundary is examined as an application for practical materials. Carbon atoms reaching at the grain boundary are trapped whereas carbon atoms in the bulk region diffuse randomly, and both dynamic regimes can be simultaneously accelerated with the parallel CVHD technique.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000519576300001 Publication Date 2020-02-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0256 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited Open Access
Notes (up) JSPS, J22727 ; Japan Society for the Promotion of Science; This work was supported by Grant-in-Aid for Scientific Research (B) (No.19H02415) and Grant-in-Aid for JSPS Research Fellow (No.18J22727) from Japan Society for the Promotion of Science (JSPS), Japan. S.F. was supported by JSPS through the Program for Leading Graduate Schools (MERIT). Data availability The data required to reproduce these findings are available from the corresponding authors upon reasonable request. Approved Most recent IF: 3.3; 2020 IF: 2.292
Call Number PLASMANT @ plasmant @c:irua:166773 Serial 6333
Permanent link to this record
 

 
Author Van Laer, K.; Bogaerts, A.
Title How bead size and dielectric constant affect the plasma behaviour in a packed bed plasma reactor: a modelling study Type A1 Journal article
Year 2017 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
Volume 26 Issue 26 Pages 085007
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Packed bed plasma reactors (PBPRs) are gaining increasing interest for use in environmental applications, such as greenhouse gas conversion into value-added chemicals or renewable fuels and volatile pollutant removal (e.g. NOx, VOC, K), as they enhance the conversion and energy efficiency of the process compared to a non-packed reactor. However, the plasma behaviour in a PBPR is not well understood. In this paper we demonstrate, by means of a fluid model, that the discharge behaviour changes considerably when changing the size of the packing beads and their dielectric constant, while keeping the interelectrode spacing constant. At low dielectric constant, the plasma is spread out over the full discharge gap, showing significant density in the voids as well as in the connecting void channels. The electric current profile shows a strong peak during each half cycle. When the dielectric constant increases, the plasma becomes localised in the voids, with a current profile consisting of many smaller peaks during each half cycle. For large bead sizes, the shift from full gap discharge to localised discharges takes place at a higher dielectric constant than for smaller beads. Furthermore, smaller beads or beads with a lower dielectric constant require a higher breakdown voltage to cause plasma formation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000406503600003 Publication Date 2017-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 22 Open Access OpenAccess
Notes (up) K Van Laer is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support. This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions – Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 3.302
Call Number PLASMANT @ plasmant @ c:irua:144796 Serial 4635
Permanent link to this record
 

 
Author Bal, K.M.; Neyts, E.C.
Title Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations Type A1 Journal article
Year 2016 Publication Chemical science Abbreviated Journal Chem Sci
Volume 7 Issue 7 Pages 5280-5286
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Atomistic simulations can in principle provide an unbiased description of all mechanisms, intermediates, and products of complex chemical processes. However, due to the severe time scale limitation of conventional simulation techniques, unrealistically high simulation temperatures are usually applied, which are a poor approximation of most practically relevant low-temperature applications. In this work, we demonstrate the direct observation at the atomic scale of the pyrolysis and oxidation of n-dodecane at temperatures as low as 700 K through the use of a novel simulation technique, collective variable-driven hyperdynamics (CVHD). A simulated timescale of up to 39 seconds is reached. Product compositions and dominant mechanisms are found to be strongly temperature-dependent, and are consistent with experiments and kinetic models. These simulations provide a first atomic-level look at the full dynamics of the complicated fuel combustion process at industrially relevant temperatures and time scales, unattainable by conventional molecular dynamics simulations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000380893900059 Publication Date 2016-05-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-6520 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.668 Times cited 22 Open Access
Notes (up) K. M. B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientic Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), funded by the Hercules Foundation and the Flemish Government – department EWI. The authors would also like to thank S. Banerjee for assisting with the interpretation of the experimental results. Approved Most recent IF: 8.668
Call Number c:irua:134577 c:irua:135670 Serial 4105
Permanent link to this record