Records |
Author |
Gorlé, C.; Larsson, J.; Emory, M.; Iaccarino, G. |
Title |
The deviation from parallel shear flow as an indicator of linear eddy-viscosity model inaccuracy |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physics of fluids |
Abbreviated Journal |
Phys Fluids |
Volume |
26 |
Issue |
5 |
Pages |
051702 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A marker function designed to indicate in which regions of a generic flow field the results from linear eddy-viscosity turbulence models are plausibly inaccurate is introduced. The marker is defined to identify regions that deviate from parallel shear flow. For two different flow fields it is shown that these regions largely coincide with regions where the prediction of the Reynolds stress divergence is inaccurate. The marker therefore offers a guideline for interpreting results obtained from Reynolds-averaged Navier-Stokes simulations and provides a basis for the further development of turbulence model-form uncertainty quantification methods. (C) 2014 AIP Publishing LLC. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Woodbury, N.Y. |
Editor |
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Language |
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Wos |
000337103900002 |
Publication Date |
2014-05-15 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1070-6631;1089-7666; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.232 |
Times cited |
19 |
Open Access |
|
Notes |
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Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.232; 2014 IF: 2.031 |
Call Number |
UA @ lucian @ c:irua:118385 |
Serial |
684 |
Permanent link to this record |
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Author |
Gonzalez-Quiroga, A.; Shtern, V.; Perreault, P.; Vandewalle, L.; Marin, G.B.; Van Geem, K.M. |
Title |
Intensifying mass and heat transfer using a high-g stator-rotor vortex chamber |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Chemical Engineering And Processing |
Abbreviated Journal |
Chem Eng Process |
Volume |
169 |
Issue |
|
Pages |
108638-11 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Vortex reactors take advantage of the synergy between enhanced heat and mass transfer rates and multifunctional phenomena at different temporal and spatial scales. Proof-of-concept experiments with our novel and innovative STAtor-Rotor VOrtex Chamber (STARVOC) confirm its advantageous features for the sustainable production of chemicals and fuels. STARVOC is a high-g contactor that uses carrier flow (gas or liquid) tangential injection to drive a rotor attached to low-friction bearings. The vortex chamber inside the rotor contains a secondary phase or phases, such as a solids bed, a liquid layer, or a suspension. Carrier fluid passes through the perforated rotor wall and contacts a densely and uniformly distributed secondary phase with enhanced slip velocities. Experiments focused on pressure profiles, rotor angular velocity, and solids azimuthal velocity. With air as the carrier fluid and different solid particle beds as the secondary phase, STARVOC reached bed azimuthal velocities up to four-fold compared to those reached in Gas-Solid Vortex Units with fully static geometry. These results show its potential to improve interfacial heat and mass transfer rates and take advantage of flow energy and angular momentum. Due to its process intensification capabilities, STARVOC is a promising alternative for the state-of-the-art chemical industry. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000704946900008 |
Publication Date |
2021-09-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0255-2701 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.234 |
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
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Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.234 |
Call Number |
UA @ admin @ c:irua:181062 |
Serial |
8111 |
Permanent link to this record |
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Author |
Van Nijen, K.; Van Passel, S.; Squires, D. |
Title |
A stochastic techno-economic assessment of seabed mining of polymetallic nodules in the Clarion Clipperton Fracture Zone |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Marine Policy |
Abbreviated Journal |
Mar Policy |
Volume |
95 |
Issue |
95 |
Pages |
133-141 |
Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
Abstract |
Polymetallic nodules found in the Clarion Clipperton Fracture Zone in the NE Pacific contain more nickel, manganese and cobalt than all terrestrial reserves combined. Following the 1982 Law of the Sea Convention and its 1994 Implementing Agreement, the resources of the international seabed beyond the limits of national jurisdiction will be developed for the benefit of mankind by attracting investment and technology, whilst demanding that necessary measures be taken to ensure effective protection of the marine environment. To date, no single commercial seabed mining activity has taken place in international waters, and the development of balanced and stimulating exploitation regulation is needed, based on accurate economic analysis. This paper presents the first detailed, vertically integrated, stochastic techno-economic assessment from a contractor's perspective, and contributes to the development of the world's first exploitation regulations. The economic performance measured by the internal rate of return was compared using deterministic and probabilistic commodity price forecasting models. Different levels of a financial payment regime, comprising of a royalty payment and a payment to internalize environmental costs, were considered. When real growth was included, the internal rate of return remains above the hurdle rate when a transitional, total-cost, financial payment regime is below 2 per cent during the initial period and below 4 per cent for the remaining tenure period. Following a 10-year moving average of commodity prices, including real growth, a 77.51 per cent probability was calculated of achieving a hurdle rate of 18 per cent. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000442190400016 |
Publication Date |
2018-03-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0308-597x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
Impact Factor |
2.235 |
Times cited |
3 |
Open Access |
|
Notes |
; The methods and results of this paper were presented at the Deep Seabed Mining Payment Regime Workshop #3 (19-21 April 2017, Singapore): Exploring a Financial Model and Related Topics, organised by RESOLVE and PEW Charitable Trusts, and attended by a wide variety of stakeholders, including contractors, academics and nongovernmental organisations. Furthermore, this project has received funding from the European Union's Seventh Framework Program for research, technological development and demonstration under grant agreement no. 688975 (Blue Nodules). This output reflects only the authors' views and the European Union cannot be held responsible for any use that may be made of the information contained herein. ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.235 |
Call Number |
UA @ admin @ c:irua:153697 |
Serial |
6144 |
Permanent link to this record |
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Author |
Krsmanovic, R.; Bals, S.; Bertoni, G.; Van Tendeloo, G. |
Title |
Structural characterization of Er-doped Li2O-Al2O3-SiO2 glass ceramics |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Optical materials |
Abbreviated Journal |
Opt Mater |
Volume |
30 |
Issue |
7 |
Pages |
1183-1188 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Particularly favourable properties of glass ceramics are developed on the basis of two key advantages of these materials: the variation of chemical composition and of microstructure. Therefore, detailed structural and chemical information are necessary to get insight in novel glass ceramic materials. We present here two examples of Er-doped Li2O-Al2O3-SiO2, with different quantities of ZrO2, both obtained with sol-gel synthesis. Different transmission electron microscopy techniques: conventional TEM, HRTEM, and EELS are used and the results are compared with those previously obtained with XRD and Rietveld analysis. We also demonstrate the 3D reconstruction, obtained from HAADF-STEM imaging, to determine the morphology of nanosize precipitates in these composites. (c) 2007 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000254419100035 |
Publication Date |
2007-07-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0925-3467; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.238 |
Times cited |
12 |
Open Access |
|
Notes |
Iap-V1; Esteem |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.238; 2008 IF: 1.714 |
Call Number |
UA @ lucian @ c:irua:70004 |
Serial |
3219 |
Permanent link to this record |
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Author |
Kuznetsov, A.S.; Cuong, N.T.; Tikhomirov, V.K.; Jivanescu, M.; Stesmans, A.; Chibotaru, L.F.; Velázquez, J.J.; Rodríguez, V.D.; Kirilenko, D.; Van Tendeloo, G.; Moshchalkov, V.V. |
Title |
Effect of heat-treatment on luminescence and structure of Ag nanoclusters doped oxyfluoride glasses and implication for fiber drawing |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Optical materials |
Abbreviated Journal |
Opt Mater |
Volume |
34 |
Issue |
4 |
Pages |
616-621 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The effect of heat treatment on the structure and luminescence of Ag nanoclusters doped oxyfluoride glasses was studied and the implication for drawing the corresponding fibers doped with luminescent Ag nanoclusters has been proposed. The heat treatment results, first, in condensation of the Ag nanoclusters into larger Ag nanoparticles and loss of Ag luminescence, and further heat treatment results in precipitation of a luminescent-loss nano- and microcrystalline Ag phases onto the surface of the glass. Thus, the oxyfluoride fiber doped with luminescent Ag nanoclusters was pulled from the viscous glass melt and its attenuation loss was 0.19 dB/cm in the red part of the spectrum; i.e. near to the maximum of Ag nanoclusters luminescence band. The nucleation centers for the Ag nanoclusters in oxyfluoride glasses have been suggested to be the fluorine vacancies and their nanoclusters. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000300124500006 |
Publication Date |
2011-10-18 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0925-3467; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.238 |
Times cited |
25 |
Open Access |
|
Notes |
Methusalem |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.238; 2012 IF: 1.918 |
Call Number |
UA @ lucian @ c:irua:93632 |
Serial |
811 |
Permanent link to this record |
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Author |
Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G.-M.; Gonze, X. |
Title |
Computed electronic and optical properties of SnO2 under compressive stress |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Optical materials |
Abbreviated Journal |
Opt Mater |
Volume |
38 |
Issue |
|
Pages |
161-166 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (OFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The stress derivatives for the SnO2 direct band gap are determined to be 62, 38 and 25 meV/GPa within MBPT for applied hydrostatic, biaxial and uniaxial stress, respectively. Compared to DFT, this is a clear improvement with respect to available experimental data. We also estimate the exciton binding energies and their stress coefficients and compute the absorption spectrum by solving the Bethe-Salpeter equation. (C) 2014 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000346228800028 |
Publication Date |
2014-11-08 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0925-3467; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.238 |
Times cited |
6 |
Open Access |
|
Notes |
; This work was supported by the FRS-FNRS through a FRIA grant (D.W.) and a FNRS grant (G.H.). This work was also supported by the IWT Project Number 080023 (ISIMADE), the Region Wallonne through WALL-ETSF project Number 816849, the EU-FP7 HT4TCOS Grant No. PCIG11-GA-2912-321988, the FRS-FNRS through contracts FRFC Number 2.4.589.09.F and AIXPHO (PDR Grant T-0238.13). The authors would like to thank Yann Pouillon and Jean-Michel Beuken for their valuable technical support and help with the test and build system of ABINIT. Computational resources have been provided by the supercomputing facilities of the Universite catholique de Louvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CECI) funded by the Fonds de la Recherche Scientifique de Belgique (FRS-FNRS) under Grant No. 2.5020.11. ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.238; 2014 IF: 1.981 |
Call Number |
UA @ lucian @ c:irua:122747 |
Serial |
460 |
Permanent link to this record |
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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 |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000405885500001 |
Publication Date |
2017-04-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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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 ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.243 |
Call Number |
UA @ lucian @ c:irua:145145 |
Serial |
4722 |
Permanent link to this record |
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Author |
Pereira, J.R.V.; Tunes, T.M.; De Arruda, A.S.; Godoy, M. |
Title |
Thermal properties of the mixed spin-1 and spin-3/2 Ising ferrimagnetic system with two different random single-ion anisotropies |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Physica: A : theoretical and statistical physics |
Abbreviated Journal |
Physica A |
Volume |
500 |
Issue |
500 |
Pages |
265-272 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In this work, we have performed Monte Carlo simulations to study a mixed spin-1 and spin-3/2 Ising ferrimagnetic system on a square lattice with two different random single-ion anisotropies. This lattice is divided in two interpenetrating sublattices with spins S-A = 1 in the sublattice A and S-B = 3/2 in the sublattice B. The exchange interaction between the spins on the sublattices is antiferromagnetic (J < 0). We used two random single-ion anisotropies, D-i(A) and D-j(B), on the sublattices A and B, respectively. We have determined the phase diagram of the model in the critical temperature T-c versus strength of the random single-ion anisotropy D plane and we shown that it exhibits only second-order phase transition lines. We also shown that this system displays compensation temperatures for some cases of the random single-ion distribution. (C) 2018 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000430027400025 |
Publication Date |
2018-02-21 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0378-4371 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.243 |
Times cited |
3 |
Open Access |
|
Notes |
; The authors acknowledge financial support by the Brazilian agencies CNPq, Brazil, CAPES, Brazil (Grant No. 88881.120851/2016-01) and FAPEMAT, Brazil. ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.243 |
Call Number |
UA @ lucian @ c:irua:150706UA @ admin @ c:irua:150706 |
Serial |
4985 |
Permanent link to this record |
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Author |
Magnus, W.; Brosens, F. |
Title |
Occupation numbers in a quantum canonical ensemble : a projection operator approach |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Physica: A : theoretical and statistical physics |
Abbreviated Journal |
Physica A |
Volume |
518 |
Issue |
518 |
Pages |
253-264 |
Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
Abstract |
Recently, we have used a projection operator to fix the number of particles in a second quantization approach in order to deal with the canonical ensemble. Having been applied earlier to handle various problems in nuclear physics that involve fixed particle numbers, the projector formalism was extended to grant access as well to quantum-statistical averages in condensed matter physics, such as particle densities and correlation functions. In this light, the occupation numbers of the subsequent single-particle energy eigenstates are key quantities to be examined. The goal of this paper is (1) to provide a sound extension of the projector formalism directly addressing the occupation numbers as well as the chemical potential, and (2) to demonstrate how the emerging problems related to numerical instability for fermions can be resolved to obtain the canonical statistical quantities for both fermions and bosons. (C) 2018 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000456359200021 |
Publication Date |
2018-11-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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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 ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.243 |
Call Number |
UA @ admin @ c:irua:157468 |
Serial |
5223 |
Permanent link to this record |
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Author |
Sels, D.; Brosens, F.; Magnus, W. |
Title |
Classical trajectories : a powerful tool for solving tunneling problems |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physica: A : theoretical and statistical physics |
Abbreviated Journal |
Physica A |
Volume |
391 |
Issue |
1/2 |
Pages |
78-81 |
Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
Abstract |
In the realm of Ehrenfests theorem, classical trajectories obeying Newtons laws have been proven useful to construct explicit solutions to the time-dependent WignerLiouville equation. Whereas previous works have particularly focused on the initial distribution function as a vehicle found to carry the signatures of quantum statistics into the time-dependent solution, the present paper shows that the LagrangeCharpit method based on classical trajectories can be successfully invoked as well to tackle quantum mechanical features with no classical counterpart, such as tunneling. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000297230700010 |
Publication Date |
2011-08-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0378-4371; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.243 |
Times cited |
7 |
Open Access |
|
Notes |
; ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.243; 2012 IF: 1.676 |
Call Number |
UA @ lucian @ c:irua:92359 |
Serial |
370 |
Permanent link to this record |
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Author |
Sels, D.; Brosens, F.; Magnus, W. |
Title |
Wigner distribution functions for complex dynamical systems : a path integral approach |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physica: A : theoretical and statistical physics |
Abbreviated Journal |
Physica A |
Volume |
392 |
Issue |
2 |
Pages |
326-335 |
Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
Abstract |
Starting from Feynmans Lagrangian description of quantum mechanics, we propose a method to construct explicitly the propagator for the Wigner distribution function of a single system. For general quadratic Lagrangians, only the classical phase space trajectory is found to contribute to the propagator. Inspired by Feynmans and Vernons influence functional theory we extend the method to calculate the propagator for the reduced Wigner function of a system of interest coupled to an external system. Explicit expressions are obtained when the external system consists of a set of independent harmonic oscillators. As an example we calculate the propagator for the reduced Wigner function associated with the CaldeiraLegett model. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000311135200004 |
Publication Date |
2012-09-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0378-4371; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.243 |
Times cited |
9 |
Open Access |
|
Notes |
; ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.243; 2013 IF: 1.722 |
Call Number |
UA @ lucian @ c:irua:101414 |
Serial |
3921 |
Permanent link to this record |
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Author |
Magnus, W.; Nelissen, K. |
Title |
Quantum diffusion: A simple, exactly solvable model |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physica: A : theoretical and statistical physics |
Abbreviated Journal |
Physica A |
Volume |
417 |
Issue |
417 |
Pages |
96-101 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We propose a simple quantum mechanical model describing the time dependent diffusion current between two fermion reservoirs that were initially disconnected and characterized by different densities or chemical potentials. The exact, analytical solution of the model yields the transient behavior of the coupled fermion systems evolving to a final steady state, whereas the long-time behavior is determined by a power law rather than by exponential decay. Similar results are obtained for the entropy production which is proportional to the diffusion current. (C) 2014 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000345721800011 |
Publication Date |
2014-09-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0378-4371; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
2.243 |
Times cited |
|
Open Access |
|
Notes |
; ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.243; 2015 IF: 1.732 |
Call Number |
c:irua:122170 |
Serial |
2777 |
Permanent link to this record |
|
|
|
Author |
Jorli, M.; Van Passel, S.; Sadeghi, H.; Nasseri, A.; Agheli, L. |
Title |
Estimating human health impacts and costs due to Iranian fossil fuel power plant emissions through the impact pathway approach |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Energies |
Abbreviated Journal |
Energies |
Volume |
10 |
Issue |
12 |
Pages |
2136-29 |
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
Abstract |
Air pollutants from fossil fuel fired power plants harm the environment and human health. More than 91% of Irans electricity production is from thermal power plants that use natural gas, diesel, and fuel oil. We apply the impact pathway approach to estimate the health impacts arising from Iranian fossil-based electricity generation emission, and in a next step, we calculate monetary costs of the estimated damages, for a one-year period starting from 20 March 2016 through 2017. We use the new version of SIMPACTS (International Atomic Energy Agency, Vienna, Austria) to investigate the health effects from 61 major Iran fossil-based power plants separately. The selected plants represent 95.6% of total Iran fossil-based power generation. Using the individual and different power plant estimates, we avoid extrapolation and our results can be considered more reliable, taking into account spatial differences. The total damage cost is 723.42 million USD (2000). The damage cost per generated electricity varies from 0.06 to 22.41 USD/MWh and average plant damage cost is 2.85 USD/MWh. Accounting for these external costs indicates the actual costs of fossil energy. The results are useful for policy makers to compare the health costs from these plants and to decide on cleaner energy sources and to take measures to increase benefits for society. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000423156900207 |
Publication Date |
2017-12-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1996-1073 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.262 |
Times cited |
4 |
Open Access |
|
Notes |
; ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.262 |
Call Number |
UA @ admin @ c:irua:149041 |
Serial |
6200 |
Permanent link to this record |
|
|
|
Author |
Saviuc, I.; Peremans, H.; Van Passel, S.; Milis, K. |
Title |
Economic performance of using batteries in European residential microgrids under the net-metering scheme |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Energies |
Abbreviated Journal |
Energies |
Volume |
12 |
Issue |
1 |
Pages |
165-28 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
Abstract |
Decentralized energy production offers an increased share of renewable energy and autonomy compared to the conventional, grid-only solution. However, under the net-metering scheme, the energy losses in batteries translate into financial losses to an investor seeking to move away from grid-only electricity and set up a residential PV+Battery microgrid. Our paper examines a hypothetical support scheme for such a project, designed to balance the economic disadvantage through partially supporting the acquisition of batteries, and thus ensure that the microgrid solution is more attractive than no investment. For this we develop four case studies based on experiments carried out in Greece, Italy, Denmark and Finland. Using the minimization of the Net Present Cost for each project, we compare the PV+Battery solution to the grid-only scenario over 25 years, for a range of electricity prices. The results illustrate first how the success of this project depends on the price of electricity. Second, we find that under current conditions in the respective countries the need for battery support varies between zero in Denmark and 86% in Italy, which reflects how the disadvantages of net metering can only be counterbalanced by either very high electricity price or very high solar resource. Our paper contributes thus to the discussion about the favourable environment for batteries in residential microgrids. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
|
Publication Date |
2019-01-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1996-1073 |
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
2.262 |
Times cited |
|
Open Access |
|
Notes |
|
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.262 |
Call Number |
UA @ admin @ c:irua:156009 |
Serial |
6189 |
Permanent link to this record |
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|
|
Author |
De Schepper, E.; Lizin, S.; Durlinger, B.; Azadi, H.; Van Passel, S. |
Title |
Economic and environmental performances of small-scale rural PV solar projects under the clean development mechanism : the case of Cambodia |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Energies |
Abbreviated Journal |
Energies |
Volume |
8 |
Issue |
9 |
Pages |
9892-9914 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
Abstract |
The two core objectives of the Clean Development Mechanism (CDM) are cost-effective emission reduction and sustainable development. Despite the potential to contribute to both objectives, solar projects play a negligible role under the CDM. In this research, the greenhouse gas mitigation cost is used to evaluate the economic and environmental performances of small-scale rural photovoltaic solar projects. In particular, we compare the use of absolute and relative mitigation costs to evaluate the attractiveness of these projects under the CDM. We encourage the use of relative mitigation costs, implying consideration of baseline costs that render the projects profitable. Results of the mitigation cost analysis are dependent on the baseline chosen. To overcome this drawback, we complement the analysis with a multi-objective optimization approach, which allows quantifying the trade-off between economic and environmental performances of the optimal technologies without requiring a baseline. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000362553000046 |
Publication Date |
2015-09-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1996-1073 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.262 |
Times cited |
6 |
Open Access |
|
Notes |
; ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.262; 2015 IF: 2.072 |
Call Number |
UA @ admin @ c:irua:129426 |
Serial |
6187 |
Permanent link to this record |
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|
|
Author |
Bogaerts, A.; Ameye, L.; Bijlholt, M.; Amuli, K.; Heynickx, D.; Devlieger, R. |
Title |
INTER-ACT : prevention of pregnancy complications through an e-health driven interpregnancy lifestyle intervention: study protocol of a multicentre randomised controlled trial |
Type |
A1 Journal article |
Year |
2017 |
Publication |
BMC pregnancy and childbirth |
Abbreviated Journal |
Bmc Pregnancy Childb |
Volume |
17 |
Issue |
|
Pages |
154 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Centre for Research and Innovation in Care (CRIC) |
Abstract |
Background Excessive maternal pre-pregnancy and gestational weight gain are related to pregnancy- and birth outcomes. The interpregnancy time window offers a unique opportunity to intervene in order to acquire a healthy lifestyle before the start of a new pregnancy. Methods INTER-ACT is an e-health driven multicentre randomised controlled intervention trial targeting women at high risk of pregnancy- and birth related complications. Eligible women are recruited for the study at day 2 or 3 postpartum. At week 6 postpartum, participants are randomised into the intervention or control arm of the study. The intervention focuses on weight, diet, physical activity and mental well-being, and comprises face-to-face coaching, in which behavioural change techniques are central, and use of a mobile application, which is Bluetooth-connected to a weighing scale and activity tracker. The intervention is rolled out postpartum (4 coaching sessions between week 6 and month 6) and in a new pregnancy (3 coaching sessions, one in each trimester of pregnancy); the mobile app is used throughout the two intervention phases. Data collection includes data from the medical record of the participants (pregnancy outcomes and medical history), anthropometric data (height, weight, waist- and hip circumferences, skinfold thickness and body composition by bio-electrical impedance analysis), data from the mobile app (physical activity and weight; intervention group only) and questionnaires (socio-demographics, breastfeeding, food intake, physical activity, lifestyle, psychosocial factors and process evaluation). Medical record data are collected at inclusion and at delivery of the subsequent pregnancy. All other data are collected at week 6 and month 6 postpartum and every subsequent 6 months until a new pregnancy, and in every trimester in the new pregnancy. Primary outcome is the composite endpoint score of pregnancy-induced hypertension, gestational diabetes mellitus, caesarean section, and large-for-gestational-age infant in the subsequent pregnancy. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000402116300002 |
Publication Date |
2017-05-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1471-2393 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.263 |
Times cited |
4 |
Open Access |
OpenAccess |
Notes |
|
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.263 |
Call Number |
UA @ lucian @ c:irua:143234 |
Serial |
4663 |
Permanent link to this record |
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|
|
Author |
Gonzalez-Garcia, A.; Lopez-Perez, W.; Rivera-Julio, J.; Peeters, F.M.; Mendoza-Estrada, V.; Gonzalez-Hernandez, R. |
Title |
Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (111) binary compounds: An ab-initio study |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
Volume |
144 |
Issue |
144 |
Pages |
285-293 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Structural, mechanical and electronic properties of two-dimensional single-layer hexagonal structures in the (111) crystal plane of IIIAs-ZnS systems (III = B, Ga and In) are studied by first-principles calculations based on density functional theory (DFT). Elastic and phonon dispersion relation display that 2D h-IIIAs systems (III = B, Ga and In) are both mechanical and dynamically stable. Electronic structures analysis show that the semiconducting nature of the 3D-IIIAs compounds is retained by their 2D single layer counterpart. Furthermore, density of states reveals the influence of sigma and pi bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Calculations of elastic constants show that the Young's modulus, bulk modulus and shear modulus decrease for 2D h-IIIAs binary compounds as we move down on the group of elements of the periodic table. In addition, as the bond length between the neighboring cation-anion atoms increases, the 2D h-IIIAs binary compounds display less stiffness and more plasticity. Our findings can be used to understand the contribution of the r and p bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Structural and electronic properties of h-IIIAs systems as a function of the number of layers have been also studied. It is shown that h-BAs keeps its planar geometry while both h-GAs and h-InAs retained their buckled ones obtained by their single layers. Bilayer h-IIIAs present the same bandgap nature of their counterpart in 3D. As the number of layers increase from 2 to 4, the bandgap width for layered h-IIIAs decreases until they become semimetal or metal. Interestingly, these results are different to those found for layered h-GaN. The results presented in this study for single and few-layer h-IIIAs structures could give some physical insights for further theoretical and experimental studies of 2D h-IIIV-like systems. (C) 2017 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000424902300036 |
Publication Date |
2017-12-29 |
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 |
2.292 |
Times cited |
3 |
Open Access |
|
Notes |
; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712 – Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.292 |
Call Number |
UA @ lucian @ c:irua:149897UA @ admin @ c:irua:149897 |
Serial |
4949 |
Permanent link to this record |
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|
|
Author |
Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. |
Title |
Effects of silicon doping on strengthening adhesion at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
Volume |
159 |
Issue |
159 |
Pages |
228-234 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper we employ first-principles calculations to investigate the effect of substitutional Si doping in the amorphous calcium-phosphate (a-HAP) structure on the work of adhesion, integral charge transfer, charge density difference and theoretical tensile strengths between an a-HAP coating and amorphous titanium dioxide (a-TiO2) substrate systemically. Our calculations demonstrate that substitution of a P atom by a Si atom in a-HAP (a-Si-HAP) with the creation of OH-vacancies as charge compensation results in a significant increase of the bonding strength of the coating to the substrate. The work of adhesion of the optimized Si-doped interfaces reaches a value of up to -2.52 J m(-2), which is significantly higher than for the stoichiometric a-HAP/a-TiO2. Charge density difference analysis indicates that the dominant interactions at the interface have significant covalent character, and in particular two Ti-O and three Ca-O bonds are formed for a-Si-HAP/a-TiO2 and one Ti-O and three Ca-O bonds for a-HAP/a-TiO2. From the stress-strain curve, the Young's modulus of a-Si-HAP/a-TiO2 is calculated to be about 25% higher than that of the a-HAP/a-TiO2, and the yielding stress is about 2 times greater than that of the undoped model. Our calculations therefore demonstrate that the presence of Si in the a-HAP structure strongly alters not only the bioactivity and resorption rates, but also the mechanical properties of the a-HAP/a-TiO2 interface. The results presented here provide an important theoretical insight into the nature of the chemical bonding at the a-HAP/a-TiO2 interface, and are particularly significant for the practical medical applications of HAP-based biomaterials. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000457856900023 |
Publication Date |
2018-12-18 |
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 |
2.292 |
Times cited |
1 |
Open Access |
Not_Open_Access |
Notes |
|
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.292 |
Call Number |
UA @ admin @ c:irua:157480 |
Serial |
5272 |
Permanent link to this record |
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|
|
Author |
Pape, E.; Bezerra, T.N.; Vanneste, H.; Heeschen, K.; Moodley, L.; Leroux, F.; van Breugel, P.; Vanreusel, A. |
Title |
Community structure and feeding preference of nematodes associated with methane seepage at the Darwin mud volcano (Gulf of Cádiz) |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Marine ecology progress series |
Abbreviated Journal |
Mar Ecol Prog Ser |
Volume |
438 |
Issue |
|
Pages |
71-83 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We sampled the Darwin mud volcano (MV) for meiofaunal community and trophic structure in relation to pore-water geochemistry along a 10 m transect from a seep site on the rim of the crater towards the MV slope. Pore-water profiles indicated considerable variation in upward methane (CH4) flow among sediment cores taken along the transect, with highest flux in the seep sediment core, gradually decreasing along the transect, to no CH4 flux in the core taken at a 5 m distance. Low sulphate concentrations and high levels of total alkalinity and sulphide (H2S) suggested that anaerobic oxidation of methane (AOM) occurred close to the sediment surface in the seep sediment core. High H2S levels had a genus- and species-specific impact on meiofaunal densities. Nematode genus composition varied gradually between sediment cores, with the genus Sabatieria dominating almost all sediment cores. However, genus diversity increased with increasing distance from the seep site. These limited data suggest that the community structure of seep meiofauna is highly dependent on local (a)biotic habitat characteristics, and a typical seep meiofaunal community cannot be delineated. Stable isotope values suggested the nematode diet up to 10 m from the seep site included thiotrophic carbon. The thicker hemipelagic sediment layer (photosynthetic carbon), the increased trophic diversity, and the heavier nematode δ13C farther from the seep site suggest a decrease in thiotrophy and an increase in photosynthetic carbon in the nematode diet. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
Inter-research |
Place of Publication |
Halstenbek |
Editor |
|
Language |
|
Wos |
000295616000006 |
Publication Date |
2011-07-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0171-8630;1616-1599; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.292 |
Times cited |
18 |
Open Access |
|
Notes |
|
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.292; 2011 IF: 2.711 |
Call Number |
UA @ lucian @ c:irua:93682 |
Serial |
414 |
Permanent link to this record |
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|
|
Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
Title |
Stability and structures of the CFCC-TmC phases : a first-principles study |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
Volume |
51 |
Issue |
1 |
Pages |
146-150 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000296214300020 |
Publication Date |
2011-08-29 |
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 |
2.292 |
Times cited |
18 |
Open Access |
|
Notes |
|
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.292; 2012 IF: 1.878 |
Call Number |
UA @ lucian @ c:irua:93277 |
Serial |
3119 |
Permanent link to this record |
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|
Author |
Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. |
Title |
Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
Volume |
95 |
Issue |
|
Pages |
579-591 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A reactive ReaxFF force field is developed for studying the influence of intrinsic point defects on the chemistry with TiO2 condensed phases. The force field parameters are optimized to ab initio data for the equations of state, relative phase stabilities for titanium and titanium dioxide, potential energy differences for (TiO2)n-clusters (n = 116). Also data for intrinsic point defects in anatase were added. These data contain formation energies for interstitial titanium and oxygen vacancies, diffusion barriers of the oxygen vacancies and molecular oxygen adsorption on a reduced anatase (101) surface. Employing the resulting force field, we study the influence of concentration of oxygen vacancies and expansion or compression of an anatase surface on the diffusion of the oxygen vacancies. Also the barrier for oxygen diffusion in the subsurface region is evaluated using this force field. This diffusion barrier of 27.7 kcal/mol indicates that the lateral redistribution of oxygen vacancies on the surface and in the subsurface will be dominated by their diffusion in the subsurface, since both this barrier as well as the barriers for diffusion from the surface to the subsurface and vice versa (17.07 kcal/mol and 21.91 kcal/mol, respectively, as calculated with DFT), are significantly lower than for diffusion on the surface (61.12 kcal/mol as calculated with DFT). |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
000343781700077 |
Publication Date |
2014-09-16 |
Series Editor |
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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 |
2.292 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.292; 2014 IF: 2.131 |
Call Number |
UA @ lucian @ c:irua:119409 |
Serial |
682 |
Permanent link to this record |
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Author |
Fedotov, S.S.; Kuzovchikov, S.M.; Khasanova, N.R.; Drozhzhin, O.A.; Filimonov, D.S.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V. |
Title |
Synthesis, structure and electrochemical properties of LiNaCo0.5Fe0.5PO4F fluoride-phosphate |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
242 |
Issue |
242 |
Pages |
70-77 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
LiNaCo 0.5 Fe 0.5 PO 4 F fluoride-phosphate was synthesized via conventional solid-state and novel freeze-drying routes. The crystal structure was refined based on neutron powder diffraction (NPD) data and validated by electron diffraction (ED) and high-resolution transmission electron microscopy (HRTEM). The alkali ions are ordered in LiNaCo 0.5 Fe 0.5 PO 4 F and the transition metals jointly occupy the same crystallographic sites. The oxidation state and oxygen coordination environment of the Fe atoms were verified by 57 Fe Mössbauer spectroscopy. Electrochemical tests of the LiNaCo 0.5 Fe 0.5 PO 4 F cathode material demonstrated a reversible activity of the Fe 3+ /Fe 2+ redox couple at the electrode potential near 3.4 V and minor activity of the Co 3+ /Co 2+ redox couple over 5 V vs Li/Li + . The material exhibits a good capacity retention in the 2.4÷4.6 V vs Li/Li + potential range with the delivered discharge capacity of more than 82% (theo.) regarding Fe 3+ /Fe 2+ . |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
000383304900010 |
Publication Date |
2016-02-27 |
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 |
1 |
Open Access |
|
Notes |
The authors kindly thank Dr. O. A. Shlyakhtin for the assistance in the freeze-drying synthesis. We are grateful to the Laboratory for Neutron Scattering and Imaging (NLS) at the Paul Scherrer Institut (Villigen, Switzerland) for granting beam time at the HRPT diffractometer and to Dr. D. V. Sheptyakov for the technical support during the experiment. The work was partly supported by Russian Foundation for Basic Research (RFBR grant 13-03-00495a, 14-29-04064 ofim, 16-33-01131 mola), Skoltech Center for Electrochemical Energy Storage and Moscow State University Development Program up to 2020. J. Hadermann, O.M. Karakulina and A.M. Abakumov acknowledge support from FWO under grant G040116N. |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.299 |
Call Number |
c:irua:133776 |
Serial |
4075 |
Permanent link to this record |
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Author |
Tang, Y.; Hunter, E.C.; Battle, P.D.; Sena, R.P.; Hadermann, J.; Avdeev, M.; Cadogan, J.M. |
Title |
Structural chemistry and magnetic properties of the perovskite Sr3Fe2TeO9 |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
242 |
Issue |
242 |
Pages |
86-95 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A polycrystalline sample of perovskite-like Sr3Fe2TeO9 has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. The majority of the reaction product is shown to be a trigonal phase with a 2:1 ordered arrangement of Fe3+ and Te6+ cations. However, the sample is prone to nano twinning and tetragonal domains with a different pattern of cation ordering exist within many crystallites. Antiferromagnetic ordering exists in the trigonal phase at 300 K and Sr3Fe2TeO9 is thus the first example of a perovskite with 2:1 trigonal cation ordering to show long-range magnetic order. At 300 K the antiferromagnetic phase coexists with two paramagnetic phases which show spin -glass behaviour below similar to 80 K. (C) 2016 The Authors. Published by Elsevier Inc. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000382429600012 |
Publication Date |
2016-06-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
12 |
Open Access |
|
Notes |
|
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.299 |
Call Number |
UA @ lucian @ c:irua:135682 |
Serial |
4310 |
Permanent link to this record |
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Author |
Sena, R.P.; Hadermann, J.; Chin, C.-M.; Hunter, E.C.; Battle, P.D. |
Title |
Structural chemistry and magnetic properties of the perovskite SrLa2Ni2TeO9 |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
243 |
Issue |
243 |
Pages |
304-311 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A polycrystalline sample of SrLa2Ni2TeO9 has been synthesized using a standard ceramic method and characterized by neutron diffraction, magnetometry and electron microscopy. The compound adopts a monoclinic, perovskite-like structure with space group P2(1)/n in and unit cell parameters a=5.6008(1), b = 5.5872(1), c=7.9018(2) angstrom, p=90.021(6)degrees at room temperature. The two crystallographically-distinct B sites are occupied by Ni2+ and Te6+ in ratios of 83:17 and 50:50. Both ac and dc magnetometry suggest that the compound is a spin glass below 35 K but the neutron diffraction data show that some regions of the sample are antiferromagnetic. Electron microscopy revealed twinning on a nanoscale and local variations in composition. These defects are thought to be responsible for the presence of two distinct types of antiferromagnetic ordering. (C) 2016 The Authors. Published by Elsevier Inc. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000384874100041 |
Publication Date |
2016-09-09 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
6 |
Open Access |
|
Notes |
|
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.299 |
Call Number |
UA @ lucian @ c:irua:137232 |
Serial |
4403 |
Permanent link to this record |
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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. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000402581200024 |
Publication Date |
2017-04-20 |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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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 ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.299 |
Call Number |
EMAT @ emat @ c:irua:143988 |
Serial |
4582 |
Permanent link to this record |
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Author |
Hunter, E.C.; Battle, P.D.; Sena, R.P.; Hadermann, J. |
Title |
Ferrimagnetism as a consequence of cation ordering in the perovskite LaSr2Cr2SbO9 |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
248 |
Issue |
|
Pages |
96-103 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A polycrystalline sample of LaSr2Cr2SbO9 has been synthesised using a standard ceramic method and characterized by x-ray and neutron diffraction, magnetometry and electron microscopy. The perovskite-related compound crystallises in the triclinic space group I1 with unit cell parameters of a=5.5344(6) angstrom, b=5.5562(5) angstrom, c=7.8292(7) angstrom, a=89.986(12)degrees, beta=90.350(5)degrees and gamma=89.926(9)degrees at room temperature. The two crystallographically-distinct, six-coordinate cation sites are occupied by Cr3+ and Sb5+ in ratios of 0.868(2):0.132(2) and 0.462(2):0.538(2). Ac and de magnetometry revealed that LaSr2Cr2SbO9 is ferrimagnetic below 150 K with a magnetisation of similar to 1.25 mu(B) per formula unit in 50 kOe at 5 K. Neutron diffraction showed that the cations on the two sites order in a G-type arrangement with a mean Cr3+ moment of 2.17(1) mu(B) at 5 K, consistent with a magnetisation of 1.32 mu(B) per formula unit. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000396386300012 |
Publication Date |
2017-01-31 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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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 |
14 |
Open Access |
Not_Open_Access |
Notes |
; Experiments at the ISIS Pulsed Neutron and Muon Source were supported by the STFC. We are grateful to I. da Silva for the assistance provided at ISIS and to the EPSRC for financial support under Grant EP/M018954/1. We also thank Diamond Light Source Ltd (EE13284) for the award of beamtime. ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.299 |
Call Number |
UA @ lucian @ c:irua:142413 |
Serial |
4657 |
Permanent link to this record |
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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 |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000402581200030 |
Publication Date |
2017-04-22 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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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 ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.299 |
Call Number |
UA @ lucian @ c:irua:144179 |
Serial |
4664 |
Permanent link to this record |
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Author |
Tang, Y.; Sena, R.P.; Aydeev, M.; Battle, P.D.; Cadogan, J.M.; Hadermann, J.; Hunter, E.C. |
Title |
Magnetic properties of the 6H perovskite Ba3Fe2TeO9 |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
253 |
Issue |
|
Pages |
347-354 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A polycrystalline sample of Ba3Fe2TeO9 having the 6H perovskite structure has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. Partial ordering of Fe3+ and Te6+ cations occurs over the six-coordinate sites; the corner-sharing octahedra are predominantly occupied by the former and the face-sharing octahedra by a 1:1 mixture of the two. On cooling through the temperature range 18 < T/K < 295 an increasing number of spins join an antiferromagnetic backbone running through the structure while the remainder show complex relaxation effects. At 3 K an antiferromagnetic phase and a spin glass coexist. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000406572600047 |
Publication Date |
2017-06-22 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
6 |
Open Access |
OpenAccess |
Notes |
; We thank EPSRC for financial support through grant EP/M018954/1. ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.299 |
Call Number |
UA @ lucian @ c:irua:145692 |
Serial |
4743 |
Permanent link to this record |
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Author |
Chin, C.-M.; Battle, P.D.; Blundell, S.J.; Hunter, E.; Lang, F.; Hendrickx, M.; Sena, R.P.; Hadermann, J. |
Title |
Comparative study of the magnetic properties of La3Ni2B'O9 for B' = Nb, Ta or Sb |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
258 |
Issue |
258 |
Pages |
825-834 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Polycrystalline samples of La3Ni2NbO9 and La3Ni2TaO9 have been characterised by X-ray and neutron diffraction, electron microscopy, magnetometry and muon spin relaxation (mu SR); the latter technique was also applied to La3Ni2SbO9. On the length scale of a neutron diffraction experiment, the six-coordinate sites of the monoclinic perovskite structure are occupied in a 1:1 ordered manner by Ni and a random 1/3Ni/2/3B' mixture. Electron microscopy demonstrated that this 1:1 ordering is maintained over microscopic distances, although diffuse scattering indicative of short-range ordering on the mixed site was observed. No magnetic Bragg scattering was observed in neutron diffraction patterns collected from La3Ni2B'O-9 (B' = Nb or Ta) at 5 K although in each case mu SR identified the presence of static spins below 30 K. Magnetometry showed that La3Ni2NbO9 behaves as a spin glass below 29 K but significant short-range interactions are present in La3Ni2NbO9 below 85 K. The contrasting properties of these compounds are discussed in terms of their microstructure. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000423650400107 |
Publication Date |
2017-12-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
6 |
Open Access |
Not_Open_Access |
Notes |
; We thank EPSRC for funding through Grants EP/M0189541 and EP/N023803. CMC thanks the Croucher Foundation and Oxford University for a graduate scholarship. We are grateful E. Suard for experimental assistance at ILL. ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.299 |
Call Number |
UA @ lucian @ c:irua:149284 |
Serial |
4928 |
Permanent link to this record |
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Author |
Istomin, S.Y.; Morozov, A.V.; Abdullayev, M.M.; Batuk, M.; Hadermann, J.; Kazakov, S.M.; Sobolev, A.V.; Presniakov, I.A.; Antipov, E.V. |
Title |
High-temperature properties of (La,Ca)(Fe,Mg,Mo)O3-\delta perovskites as prospective electrode materials for symmetrical SOFC |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
258 |
Issue |
258 |
Pages |
1-10 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
La1-yCayFe0.5+x(Mg,Mo)(0.5-x)O3-delta oxides with the orthorhombic GdFeO3-type perovskite structure have been synthesized at 1573 K. Transmission electron microscopy study for selected samples shows the coexistence of domains of perovskite phases with ordered and disordered B-cations. Mossbauer spectroscopy studies performed at 300 K and 573 K show that while compositions with low Ca-content (La0.55Ca0.45Fe0.5Mg0.2625Mo0.2375O3-delta and La0.5Ca0.5Fe0.6Mg0.175Mo0.225O3-delta) are nearly oxygen stoichiometric, La0.2Ca0.8Fe0.5Mg0.2625Mo0.2375O3-delta is oxygen deficient with delta approximate to 0.15. Oxides are stable in reducing atmosphere (Ar/H-2, 8%) at 1173 K for 12 h. No additional phases have been observed at XRPD patterns of all studied perovskites and Ce1-xGdxO2-x/2 electrolyte mixtures treated at 1173-1373K, while Fe-rich compositions (x >= 0.1) react with Zr1-xYxO2-x/2 electrolyte above 1273 K. Dilatometry studies reveal that all samples show rather low thermal expansion coefficients (TECs) in air of 11.4-12.7 ppm K-1. In reducing atmosphere their TECs were found to increase up to 12.1-15.4 ppm K-1 due to chemical expansion effect. High-temperature electrical conductivity measurements in air and Ar/H-2 atmosphere show that the highest conductivity is observed for Fe- and Ca-rich compositions. Moderate values of electrical conductivity and TEC together with stability towards chemical interaction with typical SOFC electrolytes make novel Fe-containing perovskites promising electrode materials for symmetrical solid oxide fuel cell. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000423650400001 |
Publication Date |
2017-10-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
Not_Open_Access |
Notes |
; This work was financially supported by Russian Science Foundation (project number 16-13-10327). ; |
Approved ![sorted by Approved field, ascending order (up)](img/sort_asc.gif) |
Most recent IF: 2.299 |
Call Number |
UA @ lucian @ c:irua:149283 |
Serial |
4936 |
Permanent link to this record |