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| Author | Chin, C.-M.; Sena, R.P.; Hunter, E.C.; Hadermann, J.; Battle, P.D. | ||||
| Title | Interplay of structural chemistry and magnetism in perovskites : a study of CaLn2Ni2WO9: Ln=La, Pr, Nd | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
| Volume | 251 | Issue | Pages | 224-232 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Polycrystalline samples of CaLn(2)Ni(2)WO(9) (Ln=La, Pr, Nd) have been synthesized and characterised by a combination of X-ray and neutron diffraction, electron microscopy and magnetometry. Each composition adopts a perovskite-like structure with a similar to 5.50, b similar to 5.56, c similar to 7.78 angstrom beta similar to 90.1 degrees in space group P2(1)/n. Of the two crystallographically distinct six-coordinate sites, one is occupied entirely (Ln=Pr) or predominantly (Ln=La, Nd) by Ni2+ and the other by Ni2+ and W6+ in a ratio of approximately 1:2. None of the compounds shows long-range magnetic order at 5 K. The magnetometry data show that the magnetic moments of the Ni2+ cations form a spin glass below 30 K in each case. The Pr3+ moments in CaPr2Ni2WO9 also freeze but the Nd3+ moments in CaNd2Ni2WO9 do not. This behaviour is contrasted with that observed in other (A,A')B2B'O-9 perovskites. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000402581200030 | Publication Date  |
2017-04-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-4596 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.299 | Times cited | 5 | Open Access | OpenAccess |
| Notes | ; We thank EPSRC for funding through grant EP/M0189541. CMC thanks the Croucher Foundation and Oxford University for a graduate scholarship. We are grateful to Ivan da Silva who provided experimental assistance at ISIS and to Maria Batuk for help with the STEM-EDX analysis. ; | Approved | Most recent IF: 2.299 | ||
| Call Number | UA @ lucian @ c:irua:144179 | Serial | 4664 | ||
| Permanent link to this record | |||||
| Author | Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Peeters, F.M. | ||||
| Title | Electrostatically confined trilayer graphene quantum dots | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical review B | Abbreviated Journal | |
| Volume | 95 | Issue | 15 | Pages | 155434 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Electrically gating of trilayer graphene (TLG) opens a band gap offering the possibility to electrically engineer TLG quantum dots. We study the energy levels of such quantum dots and investigate their dependence on a perpendicular magnetic field B and different types of stacking of the graphene layers. The dots are modeled as circular and confined by a truncated parabolic potential which can be realized by nanostructured gates or position-dependent doping. The energy spectra exhibit the intervalley symmetry E-K(e) (m) = -E (h)(K') (m) for the electron (e) and hole (h) states, where m is the angular momentum quantum number and K and K' label the two valleys. The electron and hole spectra for B = 0 are twofold degenerate due to the intervalley symmetry E-K (m) = E-K' [-(m + 1)]. For both ABC [alpha = 1.5 (1.2) for large (small) R] and ABA (alpha = 1) stackings, the lowest-energy levels show approximately a R-alpha dependence on the dot radius R in contrast with the 1/R-3 one for ABC-stacked dots with infinite-mass boundary. As functions of the field B, the oscillator strengths for dipole-allowed transitions differ drastically for the two types of stackings. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000399797200003 | Publication Date |
2017-04-22 | |
| 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 | Times cited | 6 | Open Access | ||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:152652 | Serial | 7878 | ||
| Permanent link to this record | |||||
| Author | Centeno, S.A.; Hale, C.; Caro, F.; Cesaratto, A.; Shibayama, N.; Delaney, J.; Dooley, K.; van der Snickt, G.; Janssens, K.; Stein, S.A. | ||||
| Title | Van Gogh's Irises and Roses : the contribution of chemical analyses and imaging to the assessment of color changes in the red lake pigments | Type | A1 Journal article | ||
| Year | 2017 | Publication | Heritage science | Abbreviated Journal | |
| Volume | 5 | Issue | Pages | 18 | |
| Keywords | A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Vincent van Gogh's still lifes Irises and Roses were investigated to shed light onto the degree to which the paintings had changed, both individually and in relation to each other since they were painted, particularly in regard to the fading of the red lakes. Non-invasive techniques, including macroscopic X-ray fluorescence mapping, reflectance imaging spectroscopy, and X-radiography, were combined with microanalytical techniques in a select number of samples. The in-depth microchemical analysis was necessary to overcome the complications that arise when evaluating by non-invasive methods alone the compositions of passages with complex layering and mixing of paints. The results obtained by these two approaches were complemented by color measurements performed on paint cross-sections and on protected edges, and with historical information provided by the artist's own descriptions, early reviews and reproductions, and the data was used to carry out digital color simulations that provided, to a certain extent, a visualization of how the paintings may have originally appeared. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000401365400001 | Publication Date |
2017-04-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2050-7445 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 21 | Open Access | ||
| Notes | ; ; | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:143748 | Serial | 5903 | ||
| Permanent link to this record | |||||
| Author | Berthelot, A.; Bogaerts, A. | ||||
| Title | Modeling of CO2Splitting in a Microwave Plasma: How to Improve the Conversion and Energy Efficiency | Type | A1 Journal article | ||
| Year | 2017 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
| Volume | 121 | Issue | 121 | Pages | 8236-8251 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Microwave plasmas are one of the most promising techniques for CO2 conversion into value-added chemicals and fuels since they are very energy efficient. Nevertheless, experiments show that this high energy efficiency is only reached at low pressures and significantly drops toward atmospheric pressure, which is a clear limitation for industrial applications. In this paper, we use a zerodimensional reaction kinetics model to simulate a CO2 microwave plasma in a pressure range from 50 mbar to 1 bar, in order to evaluate the reasons for this decrease in energy efficiency at atmospheric pressure. The code includes a detailed description of the vibrational kinetics of CO2, CO, and O2 as well as the energy exchanges between them because the vibrational kinetics is known to be crucial for energy efficient CO2 splitting. First, we use a self-consistent gas temperature calculation in order to assess the key performance indicators for CO2 splitting, i.e., the CO2 conversion and corresponding energy efficiency. Our results indicate that lower pressures and higher power densities lead to more vibrational excitation, which is beneficial for the conversion. We also demonstrate the key role of the gas temperature. The model predicts the highest conversion and energy efficiencies at pressures around 300 mbar, which is in agreement with experiments from the literature. We also show the beneficial aspect of fast gas cooling in the afterglow at high pressure. In a second step, we study in more detail the effects of pressure, gas temperature, and power density on the vibrational distribution function and on the dissociation and recombination mechanisms of CO2, which define the CO2 splitting efficiency. This study allows us to identify the limiting factors of CO2 conversion and to propose potential solutions to improve the process. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000400039300002 | Publication Date |
2017-04-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.536 | Times cited | 47 | Open Access | OpenAccess |
| Notes | Federaal Wetenschapsbeleid; | Approved | Most recent IF: 4.536 | ||
| Call Number | PLASMANT @ plasmant @ c:irua:142809 | Serial | 4567 | ||
| Permanent link to this record | |||||
| Author | Ben Hafsia, A.; Hendrickx, M.; Batuk, M.; Khitouni, M.; Hadermann, J.; Greneche, J.-M.; Rammeh, N. | ||||
| Title | Crystal structure study of manganese and titanium substituted BaLaFe2O6-δ | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
| Volume | 251 | Issue | 251 | Pages | 186-193 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Barium lanthanum ferrite and four Mn/Ti substituted materials were synthesized by the sol-gel method. The crystal structure of the materials was studied by a combination of X-ray powder diffraction, electron diffraction, scanning transmission electron microscopy and 57Fe Mössbauer spectrometry. BaLaFe2O6-δ has a cubic perovskite structure and Ba0.7La1.3FeMnO6-δ is distorted perovskite with the R-3c symmetry, both from electron diffraction and X-ray powder diffraction. However, according to transmission electron microscopy, the crystals of BaLaFeTiO6-δ, BaLaFeTi0.5Mn0.5O6-δ, and BaLaFe0.5Ti0.5MnO6-δ consist of nanodomains with different symmetries (Pm3m next to R-3c due to octahedral tilts), whereas the bulk X-ray powder diffraction patterns for these compounds correspond to the simple cubic structure. 57Fe Mössbauer spectrometry confirms that all materials contain high spin state Fe3+ ions which are strongly influenced by the chemical disorder resulting from various cationic environments. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000402581200024 | Publication Date |
2017-04-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-4596 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.299 | Times cited | Open Access | Not_Open_Access | |
| Notes | This study has been supported by the Tunisian Ministry of Higher Education and Scientific Research and by the University of Antwerp BOF Grant 33024 funding scheme. | Approved | Most recent IF: 2.299 | ||
| Call Number | EMAT @ emat @ c:irua:143988 | Serial | 4582 | ||
| Permanent link to this record | |||||
| Author | Magnus, W.; Lemmens, L.; Brosens, F. | ||||
| Title | Quantum canonical ensemble : a projection operator approach | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physica: A : theoretical and statistical physics | Abbreviated Journal | Physica A |
| Volume | 482 | Issue | Pages | 1-13 | |
| Keywords | A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) | ||||
| Abstract | Knowing the exact number of particles N, and taking this knowledge into account, the quantum canonical ensemble imposes a constraint on the occupation number operators. The constraint particularly hampers the systematic calculation of the partition function and any relevant thermodynamic expectation value for arbitrary but fixed N. On the other hand, fixing only the average number of particles, one may remove the above constraint and simply factorize the traces in Fock space into traces over single-particle states. As is well known, that would be the strategy of the grand-canonical ensemble which, however, comes with an additional Lagrange multiplier to impose the average number of particles. The appearance of this multiplier can be avoided by invoking a projection operator that enables a constraint-free computation of the partition function and its derived quantities in the canonical ensemble, at the price of an angular or contour integration. Introduced in the recent past to handle various issues related to particle-number projected statistics, the projection operator approach proves beneficial to a wide variety of problems in condensed matter physics for which the canonical ensemble offers a natural and appropriate environment. In this light, we present a systematic treatment of the canonical ensemble that embeds the projection operator into the formalism of second quantization while explicitly fixing N, the very number of particles rather than the average. Being applicable to both bosonic and fermionic systems in arbitrary dimensions, transparent integral representations are provided for the partition function Z(N) and the Helmholtz free energy F-N as well as for two- and four-point correlation functions. The chemical potential is not a Lagrange multiplier regulating the average particle number but can be extracted from FN+1 – F-N, as illustrated for a two-dimensional fermion gas. (C) 2017 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000405885500001 | Publication Date |
2017-04-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0378-4371 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.243 | Times cited | 1 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 2.243 | ||
| Call Number | UA @ lucian @ c:irua:145145 | Serial | 4722 | ||
| Permanent link to this record | |||||
| Author | Gielis, J.; Caratelli, D.; Fougerolle, Y.; Ricci, P.E.; Gerats, T. | ||||
| Title | A biogeometrical model for corolla fusion in Asclepiad flowers | Type | H1 Book chapter | ||
| Year | 2017 | Publication | Abbreviated Journal | ||
| Volume | 2 | Issue | Pages | 83-105 T2 - Modeling in mathematics : proceedings | |
| Keywords | H1 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | The molecular genetics of flower development have been studied extensively for more than two decades. Fusion of organs and the tendency to oligomery, important characteristics of flower evolution, so far have remained fairly elusive. We present a geometric model for shape and fusion in the corolla of Asclepiads. Examples demonstrate how fusion of petals creates stable centers, a prerequisite for the formation of complex pollination structures via congenital and postgenital fusion events, with the formation of de novo organs, specific to Asclepiads. The development of the corolla reduces to simple inequalities from the MATHS-BOX. The formation of stable centers and of bell and tubular shapes in flowers are immediate and logical consequences of the shape. Our model shows that any study on flowers, especially in evo-devo perspective should be performed within the wider framework of polymery and oligomery and of fusion and synorganization. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000442076400007 | 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:144551 | Serial | 7561 | ||
| Permanent link to this record | |||||
| Author | Gielis, J.; Ricci, P.E.; Tavkhelidze, I. | ||||
| Title | Modeling in mathematics : proceedings of the second Tbilisi-Salerno workshop on modeling in mathematics | Type | ME3 Book as editor | ||
| Year | 2017 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | 185 p. | ||
| Keywords | ME3 Book as editor; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 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 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:144553 | Serial | 8263 | ||
| Permanent link to this record | |||||
| Author | Shayeganfar, F.; Vasu, K.S.; Nair, R.R.; Peeters, F.M.; Neek-Amal, M. | ||||
| Title | Monolayer alkali and transition-metal monoxides : MgO, CaO, MnO, and NiO | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical review B | Abbreviated Journal | |
| Volume | 95 | Issue | 14 | Pages | 144109 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Two-dimensional crystals with strong interactions between layers has attracted increasing attention in recent years in a variety of fields. In particular, the growth of a single layer of oxide materials (e.g., MgO, CaO, NiO, and MnO) over metallic substrates were found to display different physical properties than their bulk. In this study, we report on the physical properties of a single layer of metallic oxide materials and compare their properties with their bulk and other two-dimensional (2D) crystals. We found that the planar structure of metallic monoxides are unstable whereas the buckled structures are thermodynamically stable. Also, the 2D-MnO and NiO exhibit different magnetic (ferromagnetic) and optical properties than their bulk, whereas band-gap energy and linear stiffness are found to be decreasing from NiO to MgO. Our findings provide insight into oxide thin-film technology applications. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000399792400001 | Publication Date |
2017-04-20 | |
| 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 | Times cited | 21 | Open Access | ||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:152654 | Serial | 8278 | ||
| Permanent link to this record | |||||
| Author | Gielis, J.; Natalini, P.; Ricci, P.E. | ||||
| 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 | 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 | Tavkhelidze, I.; Caratelli, D.; Gielis, J.; Ricci, P.E.; Rogava, M.; Transirico, M. | ||||
| Title | On a geometric model of bodies with “complex” configuration and some movements | Type | H1 Book chapter | ||
| Year | 2017 | Publication | Abbreviated Journal | ||
| Volume | 2 | Issue | Pages | 129-158 T2 - Modeling in mathematics : proceedings | |
| Keywords | H1 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Aim of this chapter is analytical representation of one wide class of geometric figures (lines, surfaces and bodies) and their complicated displacements. The accurate estimation of physical characteristics (such as volume, surface area, length, or other specific parameters) relevant to human organs is of fundamental importance in medicine. One central idea of this article is, in this respect, to provide a general methodology for the evaluation, as a function of time, of the volume and center of gravity featured by moving of one class of bodies used of describe different human organs. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000442076400010 | 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:144552 | Serial | 8326 | ||
| Permanent link to this record | |||||
| Author | Fougerolle, Y.; Truchetet, F.; Gielis, J. | ||||
| Title | Potential fields of self intersecting Gielis curves for modeling and generalized blending techniques | Type | P1 Proceeding | ||
| Year | 2017 | Publication | Modeling In Mathematics | Abbreviated Journal | |
| Volume | 2 | Issue | Pages | 67-81 T2 - | |
| Keywords | P1 Proceeding; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | The definition of Gielis curves allows for the representation of self intersecting curves. The analysis and the understanding of these representations is of major interest for the analytical representation of sectors bounded by multiple subsets of curves (or surfaces), as this occurs for instance in many natural objects. We present a construction scheme based on R-functions to build signed potential fields with guaranteed differential properties, such that their zero-set corresponds to the outer, the inner envelop, or combined subparts of the curve. Our framework is designed to allow for the definition of composed domains built upon Boolean operations between several distinct objects or some subpart of self-intersecting curves, but also provides a representation for soft blending techniques in which the traditional Boolean union and intersection become special cases of linear combinations between the objects' potential fields. Finally, by establishing a connection between R-functions and Lame curves, we can extend the domain of the p parameter within the R-p-function from the set of the even positive numbers to the real numbers strictly greater than 1, i.e. p is an element of]1, +infinity[. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000442076400006 | Publication Date |
2017-04-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 978-94-6239-261-8; 978-94-6239-260-1; 978-94-6239-260-1 | 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:153801 | Serial | 8395 | ||
| Permanent link to this record | |||||
| Author | Zebrowski, D.P.; Peeters, F.M.; Szafran, B. | ||||
| Title | Driven spin transitions in fluorinated single- and bilayer-graphene quantum dots | Type | A1 Journal article | ||
| Year | 2017 | Publication | Semiconductor science and technology | Abbreviated Journal | Semicond Sci Tech |
| Volume | 32 | Issue | 6 | Pages | 065016 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Spin transitions driven by a periodically varying electric potential in dilute fluorinated graphene quantum dots are investigated. Flakes of monolayer graphene as well as electrostatic electron traps induced in bilayer graphene are considered. The stationary states obtained within the tight-binding approach are used as the basis for description of the system dynamics. The dilute fluorination of the top layer lifts the valley degeneracy of the confined states and attenuates the orbital magnetic dipole moments due to current circulation within the flake. The spin-orbit coupling introduced by the surface deformation of the top layer induced by the adatoms allows the spin flips to be driven by the AC electric field. For the bilayer quantum dots the spin flip times is substantially shorter than the spin relaxation. Dynamical effects including many-photon and multilevel transitions are also discussed. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000402405800007 | Publication Date |
2017-04-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0268-1242 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.305 | Times cited | Open Access | ||
| Notes | ; This work was supported by the National Science Centre according to decision DEC-2013/11/B/ST3/03837 and by the Flemish Science Foundation (FWO-VL). ; | Approved | Most recent IF: 2.305 | ||
| Call Number | UA @ lucian @ c:irua:144238 | Serial | 4646 | ||
| Permanent link to this record | |||||
| Author | Gholampour, N.; Chaemchuen, S.; Hu, Z.-Y.; Mousavi, B.; Van Tendeloo, G.; Verpoort, F. | ||||
| Title | Simultaneous creation of metal nanoparticles in metal organic frameworks via spray drying technique | Type | A1 Journal article | ||
| Year | 2017 | Publication | Chemical engineering journal | Abbreviated Journal | Chem Eng J |
| Volume | 322 | Issue | Pages | 702-709 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In-situ fabrication of palladium(0) nanoparticles inside zeolitic imidazolate frameworks (ZIF-8) has been established via one-step facile spray-dry technique. Crystal structures and morphologies of the Pd@ZIF-8 samples are investigated by powder XRD, TEM, SAED, STEM, and EDX techniques. High angle annular dark field scanning transmission electron microscopy (HAAD-STEM) and 3D tomographic analysis confirm the presence of palladium nanoparticles inside the ZIF-8 structure. The porosity, surface area and N-2 physisorption properties are evaluated for Pd@ZIF-8 with various palladium contents. Furthermore, Pd@ZIF-8 samples are effectively applied as heterogeneous catalysts in alkenes hydrogenation. This straightforward method is able to speed up the synthesis of encapsulation of metal nanoparticles in metal organic frameworks. (C) 2017 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Lausanne | Editor | ||
| Language | Wos | 000401594200069 | Publication Date |
2017-04-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1385-8947; 0300-9467 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.216 | Times cited | 14 | Open Access | OpenAccess |
| Notes | ; The authors would like to express their deep accolade to “State Key Laboratory of Advanced Technology for Materials Synthesis and Processing” for financial support. S.C. appreciates of the National Natural Science Foundation of China (303-41150231), the Fundamental Research Funds for the Central Universities (WUT: 2016IVA092) and the Research Fund for the Doctoral Program of Higher Education of China (471-40120222). N.G. thanks the Chinese Scholarship Council (CSC) for her Ph.D. study grant 2013GXZ985. Z.-Y. H and G. V.T. acknowledge the support from the EC Framework 7 program ESTEEM2 (Reference 312483). ; | Approved | Most recent IF: 6.216 | ||
| Call Number | UA @ lucian @ c:irua:144152 | Serial | 4686 | ||
| Permanent link to this record | |||||
| Author | García Sánchez, C.; Van Tendeloo, G.; Gorle, C. | ||||
| Title | Quantifying inflow uncertainties in RANS simulations of urban pollutant dispersion | Type | A1 Journal article | ||
| Year | 2017 | Publication | Atmospheric environment : an international journal | Abbreviated Journal | Atmos Environ |
| Volume | 161 | Issue | Pages | 263-273 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Numerical simulations of flow and pollutant dispersion in urban environments have the potential to support design and policy decisions that could reduce the population's exposure to air pollution. Reynolds-averaged Navier-Stokes simulations are a common modeling technique for urban flow and dispersion, but several sources of uncertainty in the simulations can affect the accuracy of the results. The present study proposes a method to quantify the uncertainty related to variability in the inflow boundary conditions. The method is applied to predict flow and pollutant dispersion in downtown Oklahoma City and the results are compared to field measurements available from the Joint Urban 2003 measurement campaign. Three uncertain parameters that define the inflow profiles for velocity, turbulence kinetic energy and turbulence dissipation are defined: the velocity magnitude and direction, and the terrain roughness length. The uncertain parameter space is defined based on the available measurement data, and a non-intrusive propagation approach that employs 729 simulations is used to quantify the uncertainty in the simulation output. A variance based sensitivity analysis is performed to identify the most influential uncertain parameters, and it is shown that the predicted tracer concentrations are influenced by all three uncertain variables. Subsequently, we specify different probability distributions for the uncertain inflow variables based on the available measurement data and calculate the corresponding means and 95% confidence intervals for comparison with the field measurements at 35 locations in downtown Oklahoma City. (C) 2017 Elsevier Ltd. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000403515900025 | Publication Date |
2017-04-19 | |
| 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 | 3.629 | Times cited | 17 | Open Access | OpenAccess |
| Notes | ; The first author's contribution to this work was supported by the doctoral (PhD) grant number 131423 for strategic basic research from the Agency for Innovation by Science and Technology in Flanders (IWT). This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number CTS160009 (Towns et al., 2014). ; | Approved | Most recent IF: 3.629 | ||
| Call Number | UA @ lucian @ c:irua:145761 | Serial | 4749 | ||
| Permanent link to this record | |||||
| Author | Wang, D.; Liu, Y.; Ngo, H.H.; Zhang, C.; Yang, Q.; Peng, L.; He, D.; Zeng, G.; Li, X.; Ni, B.-J. | ||||
| Title | Approach of describing dynamic production of volatile fatty acids from sludge alkaline fermentation | Type | A1 Journal article | ||
| Year | 2017 | Publication | Bioresource technology | Abbreviated Journal | |
| Volume | 238 | Issue | Pages | 343-351 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | In this work, a mathematical model was developed to describe the dynamics of fermentation products in sludge alkaline fermentation systems for the first time. In this model, the impacts of alkaline fermentation on sludge disintegration, hydrolysis, acidogenesis, acetogenesis, and methanogenesis processes are specifically considered for describing the high-level formation of fermentation products. The model proposed successfully reproduced the experimental data obtained from five independent sludge alkaline fermentation studies. The modeling results showed that alkaline fermentation largely facilitated the disintegration, acidogenesis, and acetogenesis processes and severely inhibited methanogenesis process. With the pH increase from 7.0 to 10.0, the disintegration, acidogenesis, and acetogenesis processes respectively increased by 53%, 1030%, and 30% while methane production decreased by 3800%.However, no substantial effect on hydrolysis process was found. The model also indicated that the pathway of acetoclastic methanogenesis was more severely inhibited by alkaline condition than that of hydrogentrophic methanogenesis. (C) 2017 Elsevier Ltd. All rights reserved. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000402485500042 | Publication Date |
2017-04-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0960-8524 | 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:144155 | Serial | 7489 | ||
| Permanent link to this record | |||||
| Author | Ustarroz, J.; Geboes, B.; Vanrompay, H.; Sentosun, K.; Bals, S.; Breugelmans, T.; Hubin, A. | ||||
| Title | Electrodeposition of Highly Porous Pt Nanoparticles Studied by Quantitative 3D Electron Tomography: Influence of Growth Mechanisms and Potential Cycling on the Active Surface Area | Type | A1 Journal article | ||
| Year | 2017 | Publication | ACS applied materials and interfaces | Abbreviated Journal | Acs Appl Mater Inter |
| Volume | 9 | Issue | 9 | Pages | 16168-16177 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
| Abstract | Nanoporous Pt nanoparticles (NPs) are promising fuel cell catalysts due to their large surface area and increased electrocatalytic activity towards the oxygen reduction reaction (ORR). Herein, we report on the infuence of the growth mechanisms on the surface properties of electrodeposited Pt dendritic NPs with large surface areas. The electrochemically active surface was studied by hydrogen underpotential deposition (HUPD) and compared for the rst time to high angle annular dark eld scanning transmission electron microscopy (HAADF-STEM) quantitative 3D electron tomography of individual nanoparticles. Large nucleation overpotential leads to a large surface coverage of Pt roughened spheroids, which provide large roughness factor (Rf ) but low mass-speci c electrochemically active surface area (EASA). Lowering the nucleation overpotential leads to highly porous Pt NPs with pores protruding to the center of the structure. At the expense of smaller Rf , the obtained EASA values of these structures are in the range of these of large surface area supported fuel cell catalysts. The active surface area of the Pt dendritic NPs was measured by electron tomography and it was found that the potential cycling in the H adsorption/desorption and Pt oxidation/reduction region, which is generally performed to determine the EASA, leads to a signi cant reduction of that surface area due to a partial collapse of their dendritic and porous morphology. Interestingly, the extrapolation of the microscopic tomography results to macroscopic electrochemical parameters indicated that the surface properties measured by H UPD are comparable to the values measured on individual NPs by electron tomography after the degradation caused by the H UPD measurement. These results highlight that the combination of electrochemical and quantitative 3D surface analysis techniques is essential to provide insights into the surface properties, the electrochemical stability and, hence, the applicability of these materials. Moreover, it indicates that care must be taken with widely used electrochemical methods of surface area determination, especially in the case of large surface area and possibly unstable nanostructures, since the measured surface can be strongly a ected by the measurement itself. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000401782500028 | Publication Date |
2017-04-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.504 | Times cited | 24 | Open Access | OpenAccess |
| Notes | Jon Ustarroz acknowledges funding from the Fonds Wetenschappelijk Onderzoek in Flanders (FWO, postdoctoral grant 12I7816N). S. Bals acknowledges funding from the European Research Council (Starting Grant No. COLOURATOMS 335078). S.B. and T.B. acknowledge the University of Antwerp for nancial support in the frame of a GOA project. H.V. gratefully acknowledges nancial support by the Flemish Fund for Scienti c Research (FWO Vlaanderen). All the authors acknowledge Laurens Stevaert for his contribution to the work presented in this manuscript. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara | Approved | Most recent IF: 7.504 | ||
| Call Number | EMAT @ emat @ c:irua:142345UA @ admin @ c:irua:142345 | Serial | 4552 | ||
| Permanent link to this record | |||||
| Author | Khalilov, U.; Bogaerts, A.; Neyts, E.C. | ||||
| Title | Toward the Understanding of Selective Si Nano-Oxidation by Atomic Scale Simulations | Type | A1 Journal article | ||
| Year | 2017 | Publication | Accounts of chemical research | Abbreviated Journal | Accounts Chem Res |
| Volume | 50 | Issue | 50 | Pages | 796-804 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The continuous miniaturization of nanodevices, such as transistors, solar cells, and optical fibers, requires the controlled synthesis of (ultra)thin gate oxides (<10 nm), including Si gate-oxide (SiO2) with high quality at the atomic scale. Traditional thermal growth of SiO2 on planar Si surfaces, however, does not allow one to obtain such ultrathin oxide due to either the high oxygen diffusivity at high temperature or the very low sticking ability of incident oxygen at low temperature. Two recent techniques, both operative at low (room) temperature, have been put forward to overcome these obstacles: (i) hyperthermal oxidation of planar Si surfaces and (ii) thermal or plasma-assisted oxidation of nonplanar Si surfaces, including Si nanowires (SiNWs). These nanooxidation processes are, however, often difficult to study experimentally, due to the key intermediate processes taking place on the nanosecond time scale. In this Account, these Si nano-oxidation techniques are discussed from a computational point of view and compared to both hyperthermal and thermal oxidation experiments, as well as to well-known models of thermal oxidation, including the Deal−Grove, Cabrera−Mott, and Kao models and several alternative mechanisms. In our studies, we use reactive molecular dynamics (MD) and hybrid MD/Monte Carlo simulation techniques, applying the Reax force field. The incident energy of oxygen species is chosen in the range of 1−5 eV in hyperthermal oxidation of planar Si surfaces in order to prevent energy-induced damage. It turns out that hyperthermal growth allows for two growth modes, where the ultrathin oxide thickness depends on either (1) only the kinetic energy of the incident oxygen species at a growth temperature below Ttrans = 600 K, or (2) both the incident energy and the growth temperature at a growth temperature above Ttrans. These modes are specific to such ultrathin oxides, and are not observed in traditional thermal oxidation, nor theoretically considered by already existing models. In the case of thermal or plasma-assisted oxidation of small Si nanowires, on the other hand, the thickness of the ultrathin oxide is a function of the growth temperature and the nanowire diameter. Below Ttrans, which varies with the nanowire diameter, partially oxidized SiNW are formed, whereas complete oxidation to a SiO2 nanowire occurs only above Ttrans. In both nano-oxidation processes at lower temperature (T < Ttrans), final sandwich c-Si|SiOx|a-SiO2 structures are obtained due to a competition between overcoming the energy barrier to penetrate into Si subsurface layers and the compressive stress (∼2−3 GPa) at the Si crystal/oxide interface. The overall atomic-simulation results strongly indicate that the thickness of the intermediate SiOx (x < 2) region is very limited (∼0.5 nm) and constant irrespective of oxidation parameters. Thus, control over the ultrathin SiO2 thickness with good quality is indeed possible by accurately tuning the oxidant energy, oxidation temperature and surface curvature. In general, we discuss and put in perspective these two oxidation mechanisms for obtaining controllable ultrathin gate-oxide films, offering a new route toward the fabrication of nanodevices via selective nano-oxidation. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000399859800016 | Publication Date |
2017-04-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0001-4842 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 20.268 | Times cited | 5 | Open Access | OpenAccess |
| Notes | Fonds Wetenschappelijk Onderzoek, 12M1315N ; | Approved | Most recent IF: 20.268 | ||
| Call Number | PLASMANT @ plasmant @ c:irua:142638 | Serial | 4561 | ||
| Permanent link to this record | |||||
| Author | Guzzinati, G.; Béché, A.; Lourenço-Martins, H.; Martin, J.; Kociak, M.; Verbeeck, J. | ||||
| Title | Probing the symmetry of the potential of localized surface plasmon resonances with phase-shaped electron beams | Type | A1 Journal article | ||
| Year | 2017 | Publication | Nature communications | Abbreviated Journal | Nat Commun |
| Volume | 8 | Issue | 8 | Pages | 14999 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Plasmonics, the science and technology of the interaction of light with metallic objects, is fundamentally changing the way we can detect, generate and manipulate light. Although the field is progressing swiftly, thanks to the availability of nanoscale manufacturing and analysis methods, fundamental properties such as the plasmonic excitations’ symmetries cannot be accessed directly, leading to a partial, sometimes incorrect, understanding of their properties. Here we overcome this limitation by deliberately shaping the wave function of an electron beam to match a plasmonic excitations’ symmetry in a modified transmission electron microscope. We show experimentally and theoretically that this offers selective detection of specific plasmon modes within metallic nanoparticles, while excluding modes with other symmetries. This method resembles the widespread use of polarized light for the selective excitation of plasmon modes with the advantage of locally probing the response of individual plasmonic objects and a far wider range of symmetry selection criteria. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000399084300001 | Publication Date |
2017-04-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2041-1723 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | 84 | Open Access | OpenAccess |
| Notes | ; We thank F.J. Garcia de Abajo and D.M. Ugarte for interesting and fruitful discussion. This work was supported by funding from the European Research Council under the 7th Framework Program (FP7) ERC Starting Grant 278510 VORTEX. Financial support from the European Union under the Framework 7 program under a contract for an Integrated Infrastructure Initiative (Reference number 312483 ESTEEM2) is also gratefully acknowledged. Aluminum nanostructures were fabricated using the Nanomat nanofabrication facility. ; | Approved | Most recent IF: 12.124 | ||
| Call Number | EMAT @ emat @ c:irua:142205UA @ admin @ c:irua:142205 | Serial | 4548 | ||
| Permanent link to this record | |||||
| Author | Mernissi Cherigui, E.A.; Sentosun, K.; Bouckenooge, P.; Vanrompay, H.; Bals, S.; Terryn, H.; Ustarroz, J. | ||||
| Title | A Comprehensive Study of the Electrodeposition of Nickel Nanostructures from Deep Eutectic Solvents: Self-Limiting Growth by Electrolysis of Residual Water | Type | A1 Journal article | ||
| Year | 2017 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
| Volume | 121 | Issue | 121 | Pages | 9337-9347 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The electrodeposition of nickel nanostructures on glassy carbon was investigated in 1:2 choline chloride – urea (1:2 ChCl-U) deep eutectic solvent (DES). By combining electrochemical techniques with ex-situ FE-SEM, XPS, HAADF-STEM and EDX, the electrochemical processes occurring during nickel deposition were better understood. Special attention was given to the interaction between the solvent and the growing nickel nanoparticles. The application of a suffciently negative potential results into the electrocatlytic hydrolisis of residual water in the DES, which leads to the formation of a mixed layer of Ni/Ni(OH)2(ads). In addition, hydrogen bonds between hydroxide species and the DES components could be formed, quenching the growth of the nickel clusters favouring their aggregation. Due to these processes, a highly dense distribution of nickel nanostructures can be obtained within a wide potential range. Understanding the role of residual water and the interactions at the interface during metal electrodeposition from DESs is essential to produce supported nanostructures in a controllable way for a broad range of applications and technologies. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000400881100027 | Publication Date |
2017-04-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.536 | Times cited | 66 | Open Access | OpenAccess |
| Notes | E.A. Mernissi Cherigui acknowledges funding from the Fonds Wetenschappelijk Onderzoek in Flanders (FWO, research project G019014N). S. Bals acknowledges funding from the European Research Council (Starting Grant No. COLOURATOMS 335078). H.V. gratefully acknowledges financial support by the Flemish Fund for Scientifi c Research (FWO Vlaanderen). Finally, J. Ustarroz acknowledges funding from the Fonds Wetenschappelijk Onderzoek in Flanders (FWO, postdoctoral grant 12I7816N). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara | Approved | Most recent IF: 4.536 | ||
| Call Number | EMAT @ emat @ c:irua:142208UA @ admin @ c:irua:142208 | Serial | 4551 | ||
| Permanent link to this record | |||||
| Author | Houben, K.; Couet, S.; Trekels, M.; Menendez, E.; Peissker, T.; Seo, J.W.; Hu, M.Y.; Zhao, J.Y.; Alp, E.E.; Roelants, S.; Partoens, B.; Milošević, M.V.; Peeters, F.M.; Bessas, D.; Brown, S.A.; Vantomme, A.; Temst, K.; Van Bael, M.J. | ||||
| Title | Lattice dynamics in Sn nanoislands and cluster-assembled films | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 95 | Issue | 15 | Pages | 155413 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | To unravel the effects of phonon confinement, the influence of size and morphology on the atomic vibrations is investigated in Sn nanoislands and cluster-assembled films. Nuclear resonant inelastic x-ray scattering is used to probe the phonon densities of states of the Sn nanostructures which show significant broadening of the features compared to bulk phonon behavior. Supported by ab initio calculations, the broadening is attributed to phonon scattering and can be described within the damped harmonic oscillator model. Contrary to the expectations based on previous research, the appearance of high-energy modes above the cutoff energy is not observed. From the thermodynamic properties extracted from the phonon densities of states, it was found that grain boundary Sn atoms are bound by weaker forces than bulk Sn atoms. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Physical Society | Place of Publication | New York, N.Y | Editor | |
| Language | Wos | 000401762400008 | Publication Date |
2017-04-11 | |
| 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 | 3.836 | Times cited | 5 | Open Access | |
| Notes | ; This work was supported by the Research Foundation-Flanders (FWO) and the Concerted Research Action (GOA/14/007). The authors acknowledge Hercules stichting (Projects No. AKUL/13/19 and No. AKUL/13/25). K.H. and S.C. thank the FWO for financial support. T.P. acknowledges the IWT for financial support. S.R., M.V.M., and B.P. acknowledge TOPBOF funding of the University of Antwerp Research Fund. J.W.S. acknowledges Hercules Stichting (Project No. AKUL/13/19). The authors want to thank R. Lieten for help with the XRD measurements and T. Picot for fruitful discussions. The authors gratefully acknowledge R. Ruffer and A. I. Chumakov for fruitful discussions and the European Synchrotron Radiation Facility for the measurement of the SnO<INF>2</INF> powder at the Nuclear Resonance beamline (ID-18). This research used resources of the Advanced Photon Source, a US Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. ; | Approved | Most recent IF: 3.836 | ||
| Call Number | UA @ lucian @ c:irua:144305 | Serial | 4667 | ||
| Permanent link to this record | |||||
| Author | Lambrinou, K.; Charalampopoulou, E.; Van der Donck, T.; Delville, R.; Schryvers, D. | ||||
| Title | Dissolution corrosion of 316L austenitic stainless steels in contact with static liquid lead-bismuth eutectic (LBE) at 500 °C | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of nuclear materials | Abbreviated Journal | J Nucl Mater |
| Volume | 490 | Issue | 490 | Pages | 9-27 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | This work addresses the dissolution corrosion behaviour of 316L austenitic stainless steels. For this purpose, solution-annealed and cold-deformed 316L steels were simultaneously exposed to oxygen-poor (<10-8 mass%) static liquid lead-bismuth eutectic (LBE) for 253e3282 h at 500 °C. Corrosion was consistently more severe for the cold-drawn steels than the solution-annealed steel, indicating the importance of the steel thermomechanical state. The thickness of the dissolution-affected zone was nonuniform, and sites of locally-enhanced dissolution were occasionally observed. The progress of LBE dissolution attack was promoted by the interplay of certain steel microstructural features (grain boundaries, deformation twin laths, precipitates) with the dissolution corrosion process. The identified dissolution mechanisms were selective leaching leading to steel ferritization, and non-selective leaching; the latter was mainly observed in the solution-annealed steel. The maximum corrosion rate decreased with exposure time and was found to be inversely proportional to the depth of dissolution attack. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000403132300002 | Publication Date |
2017-04-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-3115 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.048 | Times cited | 24 | Open Access | OpenAccess |
| Notes | The authors would like to acknowledge the following 316L stainless steel suppliers: Industeel, ArcelorMittal Group, for the 316LSA plate procured and characterised in the FP6 EUROTRANSDEMETRA project (Contract no. FI6W-CT-2004-516520); OLARRA Aceros Inoxidables, Spain, for the 316LH1 rod; and SIDERO STAAL nv, Belgium, for the 316LH2 rod. K. Lambrinou would like to thank J. Joris for technical support during the launching and follow up of all corrosion tests, J. Lim for the manufacturing and calibration of the oxygen sensors used in these tests, T. Lapauw for the XRD measurements on the pristine steels, and S. Van den Broeck for the FIB sample preparation. Special thanks to S. Gavrilov for fruitful and intense discussions. The authors gratefully acknowledge the funding provided in the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM). | Approved | Most recent IF: 2.048 | ||
| Call Number | EMAT @ emat @ c:irua:142644 | Serial | 4563 | ||
| Permanent link to this record | |||||
| Author | De Decker, J.; Folens, K.; De Clercq, J.; Meledina, M.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P. | ||||
| Title | Ship-in-a-bottle CMPO in MIL-101(Cr) for selective uranium recovery from aqueous streams through adsorption | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of hazardous materials | Abbreviated Journal | J Hazard Mater |
| Volume | 335 | Issue | Pages | 1-9 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Mesoporous MIL-101(Cr) is used as host for a ship-in-a-bottle type adsorbent for selective U(VI) recovery from aqueous environments. The acid-resistant cage-type MOF is built in-situ around N,N-Diisobutyl-2-(octylphenylphosphoryl)acetamide (CMPO), a sterically demanding ligand with high U(VI) affinity. This one-step procedure yields an adsorbent which is an ideal compromise between homogeneous and heterogeneous systems, where the ligand can act freely within the pores of MIL-101, without leaching, while the adsorbent is easy separable and reusable. The adsorbent was characterized by XRD, FTIR spectroscopy, nitrogen adsorption, XRF, ADF-STEM and EDX, to confirm and quantify the successful encapsulation of the CMPO in MIL-101, and the preservation of the host. Adsorption experiments with a central focus on U(VI) recovery were performed. Very high selectivity for U(VI) was observed, while competitive metal adsorption (rare earths, transition metals...) was almost negligible. The adsorption capacity was calculated at 5.32 mg U/g (pH 3) and 27.99 mg U/g (pH 4), by fitting equilibrium data to the Langmuir model. Adsorption kinetics correlated to the pseudo-second-order model, where more than 95% of maximum uptake is achieved within 375 min. The adsorbed U(VI) is easily recovered by desorption in 0.1 M HNO3. Three adsorption/desorption cycles were performed. (C) 2017 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000402948600001 | Publication Date |
2017-04-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3894 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.065 | Times cited | 35 | Open Access | OpenAccess |
| Notes | ; The authors acknowledge the AUGent/UGent for financial support, Grant Number DEF12/AOP/008 fund IV1. ; | Approved | Most recent IF: 6.065 | ||
| Call Number | UA @ lucian @ c:irua:144153 | Serial | 4685 | ||
| Permanent link to this record | |||||
| Author | Li, L.; Leenaerts, O.; Kong, X.; Chen, X.; Zhao, M.; Peeters, F.M. | ||||
| Title | Gallium bismuth halide GaBi-X2 (X = I, Br, Cl) monolayers with distorted hexagonal framework: Novel room-temperature quantum spin Hall insulators | Type | A1 Journal article | ||
| Year | 2017 | Publication | Nano Research | Abbreviated Journal | Nano Res |
| Volume | 10 | Issue | 10 | Pages | 2168-2180 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Quantum spin Hall (QSH) insulators with a large topologically nontrivial bulk gap are crucial for future applications of the QSH effect. Among these, group III-V monolayers and their halides, which have a chair structure (regular hexagonal framework), have been widely studied. Using first-principles calculations, we formulate a new structure model for the functionalized group III-V monolayers, which consist of rectangular GaBi-X-2 (X = I, Br, Cl) monolayers with a distorted hexagonal framework (DHF). These structures have a far lower energy than the GaBi-X-2 monolayers with a chair structure. Remarkably, the DHF GaBi-X-2 monolayers are all QSH insulators, which exhibit sizeable nontrivial band gaps ranging from 0.17 to 0.39 eV. The band gaps can be widely tuned by applying different spin-orbit coupling strengths, resulting in a distorted Dirac cone. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000401320700029 | Publication Date |
2017-04-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1998-0124 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.354 | Times cited | 15 | Open Access | |
| Notes | ; This work was supported by the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-department EWI. ; | Approved | Most recent IF: 7.354 | ||
| Call Number | UA @ lucian @ c:irua:143739 | Serial | 4598 | ||
| Permanent link to this record | |||||
| Author | Sun, S.R.; Kolev, S.; Wang, H.X.; Bogaerts, A. | ||||
| Title | Investigations of discharge and post-discharge in a gliding arc: a 3D computational study | Type | A1 Journal article | ||
| Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
| Volume | 26 | Issue | 26 | Pages | 055017 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | In this study we quantitatively investigate for the first time the plasma characteristics of an argon gliding arc with a 3D model. The model is validated by comparison with available experimental data from literature and a reasonable agreement is obtained for the calculated gas temperature and electron density. A complete arc cycle is modeled from initial ignition to arc decay. We investigate how the plasma characteristics, i.e., the electron temperature, gas temperature, reduced electric field, and the densities of electrons, Ar+ and Ar2+ ions and Ar(4s) excited states, vary over one complete arc cycle, including their behavior in the discharge and post-discharge. These plasma characteristics exhibit a different evolution over one arc cycle, indicating that either the active discharge stage or the post-discharge stage can be beneficial for certain applications. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000399278100002 | Publication Date |
2017-04-05 | |
| 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 | 11 | Open Access | OpenAccess |
| Notes | This work is financially supported by the Methusalem financing, by the Fund for Scientific Research Flanders (FWO) and by the IAP/7 (Inter-university Attraction Pole) program ‘Physical Chemistry of Plasma-Surface Interactions’ from the Belgian Federal Office for Science Policy (BELSPO). The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. This work was also supported by the National Natural Science Foundation of China (Grant Nos. 11275021, 11575019). SR Sun thanks the financial support from the China Scholarship Council (CSC). | Approved | Most recent IF: 3.302 | ||
| Call Number | PLASMANT @ plasmant @ c:irua:142204 | Serial | 4550 | ||
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| Author | Zhang, Y.; Wang, H.-yu; Zhang, Y.-ru; Bogaerts, A. | ||||
| Title | Formation of microdischarges inside a mesoporous catalyst in dielectric barrier discharge plasmas | Type | A1 Journal article | ||
| Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
| Volume | 26 | Issue | 26 | Pages | 054002 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The formation process of a microdischarge (MD) in both μm- and nm-sized catalyst pores is simulated by a two-dimensional particle-in-cell/Monte Carlo collision model. A parallel-plate dielectric barrier discharge configuration in filamentary mode is considered in ambient air. The discharge is powered by a high voltage pulse. Our calculations reveal that a streamer can penetrate into the surface features of a porous catalyst and MDs can be formed inside both μm- and nm-sized pores, yielding ionization inside the pore. For the μm-sized pores, the ionization mainly occurs inside the pore, while for the nm-sized pores the ionization is strongest near and inside the pore. Thus, enhanced discharges near and inside the mesoporous catalyst are observed. Indeed, the maximum values of the electric field, ionization rate and electron density occur near and inside the pore. The maximum electric field and electron density inside the pore first increase when the pore size rises from 4 nm to 10 nm, and then they decrease for the 100 nm pore, due to a more pronounced surface discharge for the smaller pores. However, the ionization rate is highest for the 100 nm pore due to the largest effective ionization region. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000399277700001 | Publication Date |
2017-04-05 | |
| 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 | 15 | Open Access | OpenAccess |
| Notes | This work was supported by the NSFC (11405067, 11275007, 11375163). Y Zhang gratefully acknowledges the Belgian Federal Science Policy Office for financial support. The authors are very grateful to Wei Jiang for the useful discussions on the photo-ionization model and the particle-incell/ Monte-Carlo model. | Approved | Most recent IF: 3.302 | ||
| Call Number | PLASMANT @ plasmant @ c:irua:142806 | Serial | 4566 | ||
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| Author | Razzokov, J.; Yusupov, M.; Vanuytsel, S.; Neyts, E.C.; Bogaerts, A. | ||||
| Title | Phosphatidylserine flip-flop induced by oxidation of the plasma membrane: a better insight by atomic scale modeling | Type | A1 Journal article | ||
| Year | 2017 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
| Volume | 14 | Issue | 10 | Pages | 1700013 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We perform molecular dynamics simulations to study the flip-flop motion of phosphatidylserine (PS) across the plasma membrane upon increasing oxidation degree of the membrane. Our computational results show that an increase of the oxidation degree in the lipids leads to a decrease of the free energy barrier for translocation of PS through the membrane. In other words, oxidation of the lipids facilitates PS flip-flop motion across the membrane, because in native phospholipid bilayers this is only a “rare event” due to the high energy barriers for the translocation of PS. The present study provides an atomic-scale insight into the mechanisms of the PS flip-flop upon oxidation of lipids, as produced for example by cold atmospheric plasma, in living cells. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000413045800010 | Publication Date |
2017-04-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.846 | Times cited | 9 | Open Access | Not_Open_Access |
| Notes | Fonds Wetenschappelijk Onderzoek, 1200216N ; | Approved | Most recent IF: 2.846 | ||
| Call Number | PLASMANT @ plasmant @c:irua:149567 | Serial | 4910 | ||
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| Author | Tennyson, J.; Rahimi, S.; Hill, C.; Tse, L.; Vibhakar, A.; Akello-Egwel, D.; Brown, D.B.; Dzarasova, A.; Hamilton, J.R.; Jaksch, D.; Mohr, S.; Wren-Little, K.; Bruckmeier, J.; Agarwal, A.; Bartschat, K.; Bogaerts, A.; Booth, J.-P.; Goeckner, M.J.; Hassouni, K.; Itikawa, Y.; Braams, B.J.; Krishnakumar, E.; Laricchiuta, A.; Mason, N.J.; Pandey, S.; Petrovic, Z.L.; Pu, Y.-K.; Ranjan, A.; Rauf, S.; Schulze, J.; Turner, M.M.; Ventzek, P.; Whitehead, J.C.; Yoon, J.-S. | ||||
| Title | QDB: a new database of plasma chemistries and reactions | Type | A1 Journal article | ||
| Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
| Volume | 26 | Issue | 26 | Pages | 055014 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | One of the most challenging and recurring problems when modeling plasmas is the lack of data on the key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of chemistries are rarely available. This hinders research on plasma processes and curbs development of industrial applications. The QDB project aims to address this problem by providing a platform for provision, exchange, and validation of chemistry datasets. A new data model developed for QDB is presented. QDB collates published data on both electron scattering and heavy-particle reactions. These data are formed into reaction sets, which are then validated against experimental data where possible. This process produces both complete chemistry sets and identifies key reactions that are currently unreported in the literature. Gaps in the datasets can be filled using established theoretical methods. Initial validated chemistry sets for SF6/CF4/O2 and SF6/CF4/N2/H2 are presented as examples. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000398394500001 | Publication Date |
2017-04-04 | |
| 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 | 18 | Open Access | OpenAccess |
| Notes | Approved | Most recent IF: 3.302 | |||
| Call Number | PLASMANT @ plasmant @ c:irua:142206 | Serial | 4549 | ||
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| Author | Takatsu, H.; Hernandez, O.; Yoshimune, W.; Prestipino, C.; Yamamoto, T.; Tassel, C.; Kobayashi, Y.; Batuk, D.; Shibata, Y.; Abakumov, A.M.; Brown, C.M.; Kageyama, H. | ||||
| Title | Cubic lead perovskite PbMoO3 with anomalous metallic behavior | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical review B | Abbreviated Journal | |
| Volume | 95 | Issue | 15 | Pages | 155105 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A previously unreported Pb-based perovskite PbMoO3 is obtained by high-pressure and high-temperature synthesis. This material crystallizes in the Pm3m cubic structure at room temperature, making it distinct from typical Pb-based perovskite oxides with a structural distortion. PbMoO3 exhibits a metallic behavior down to 0.1 K with an unusual T-sublinear dependence of the electrical resistivity. Moreover, a large specific heat is observed at low temperatures accompanied by a peak in C-P/T-3 around 10 K, in marked contrast to the isostructural metallic system SrMoO3. These transport and thermal properties for PbMoO3, taking into account anomalously large Pb atomic displacements detected through diffraction experiments, are attributed to a low-energy vibrational mode, associated with incoherent off-centering of lone-pair Pb2+ cations. We discuss the unusual behavior of the electrical resistivity in terms of a polaronlike conduction, mediated by the strong coupling between conduction electrons and optical phonons of the local low-energy vibrational mode. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000440605700001 | Publication Date |
2017-04-04 | |
| 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 | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:167288 | Serial | 7743 | ||
| Permanent link to this record | |||||
| Author | Khalilov, U.; Bogaerts, A.; Hussain, S.; Kovacevic, E.; Brault, P.; Boulmer-Leborgne, C.; Neyts, E.C. | ||||
| Title | Nanoscale mechanisms of CNT growth and etching in plasma environment | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
| Volume | 50 | Issue | 50 | Pages | 184001 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma-enhanced chemical deposition (PECVD) of carbon nanotubes has already been shown to allow chirality control to some extent. In PECVD, however, etching may occur simultaneously with the growth, and the occurrence of intermediate processes further significantly complicates the growth process. We here employ a computational approach with experimental support to study the plasma-based formation of Ni nanoclusters, Ni-catalyzed CNT growth and subsequent etching processes, in order to understand the underpinning nanoscale mechanisms. We find that hydrogen is the dominant factor in both the re-structuring of a Ni film and the subsequent appearance of Ni nanoclusters, as well as in the CNT nucleation and etching processes. The obtained results are compared with available theoretical and experimental studies and provide a deeper understanding of the occurring nanoscale mechanisms in plasma-assisted CNT nucleation and growth. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000398300900001 | Publication Date |
2017-04-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-3727 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.588 | Times cited | 6 | Open Access | OpenAccess |
| Notes | UK gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), Belgium (Grant No. 12M1315N). The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. The authors also thank Prof A C T van Duin for sharing the ReaxFF code. | Approved | Most recent IF: 2.588 | ||
| Call Number | PLASMANT @ plasmant @ c:irua:141918 | Serial | 4533 | ||
| Permanent link to this record | |||||