| Records |
| 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 |
|
| Language |
|
Wos |
000343781700077 |
Publication Date |
2014-09-16 |
| 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 |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.292; 2014 IF: 2.131 |
| Call Number |
UA @ lucian @ c:irua:119409 |
Serial |
682 |
| Permanent link to this record |
| |
|
| |
| Author |
Batuk, M.; Batuk, D.; Abakumov, A.M.; Hadermann, J. |
| Title |
Pb5Fe3TiO11Cl : a rare example of Ti(IV) in a square pyramidal oxygen coordination |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
215 |
Issue |
|
Pages |
245-252 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
A new oxychloride Pb5Fe3TiO11Cl has been synthesized using the solid state method. Its crystal and magnetic structure was investigated in the 1.5550 K temperature range using electron diffraction, high angle annular dark field scanning transmission electron microscopy, atomic resolution energy dispersive X-ray spectroscopy, neutron and X-ray powder diffraction. At room temperature Pb5Fe3TiO11Cl crystallizes in the P4/mmm space group with the unit cell parameters a=3.91803(3) Å and c=19.3345(2) Å. Pb5Fe3TiO11Cl is a new n=4 member of the oxychloride perovskite-based homologous series An+1BnO3n−1Cl. The structure is built of truncated Pb3Fe3TiO11 quadruple perovskite blocks separated by CsCl-type Pb2Cl slabs. The perovskite blocks consist of two layers of (Fe,Ti)O6 octahedra sandwiched between two layers of (Fe,Ti)O5 square pyramids. The Ti4+ cations are preferentially located in the octahedral layers, however, the presence of a noticeable amount of Ti4+ in a five-fold coordination environment has been undoubtedly proven using neutron powder diffraction and atomic resolution compositional mapping. Pb5Fe3TiO11Cl is antiferromagnetically ordered below 450(10) K. The ordered Fe magnetic moments at 1.5 K are 4.06(4) μB and 3.86(5) μB on the octahedral and square-pyramidal sites, respectively. |
| 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 |
000336891300037 |
Publication Date |
2014-04-12 |
| 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 |
4 |
Open Access |
|
| Notes |
Fwo G.0184.09n. |
Approved |
Most recent IF: 2.299; 2014 IF: 2.133 |
| Call Number |
UA @ lucian @ c:irua:117066 |
Serial |
3551 |
| Permanent link to this record |
| |
|
| |
| Author |
Battle, P.D.; Avdeev, M.; Hadermann, J. |
| Title |
The interplay of microstructure and magnetism in La3Ni2SbO9 |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
220 |
Issue |
|
Pages |
163-166 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
La3Ni2SbO9 adopts a perovskite-related structure in which the six-coordinate cation sites are occupied alternately by Ni2+ and a disordered arrangement of Ni2+/Sb5+. A polycrystalline sample has been studied by neutron diffraction in applied magnetic fields of 0 <= H/kOe <= 50 at 5 K. In 0 kOe, weak magnetic Bragg scattering consistent with the adoption of a G-type ferrimagnetic structure is observed; the ordered component of the magnetic moment was found to be 0.89(7) mu(B) per Ni2+ cation. This increased to 1.60(3) mu(B) in a field of 50 kOe. Transmission electron microscopy revealed variations in the Ni:Sb ratio across crystallites of the sample. It is proposed that these composition variations disrupt the magnetic superexchange interactions within the compound, leading to domain formation and a reduced average moment. The application of a magnetic field aligns the magnetisation vectors across the crystal and the average moment measured by neutron diffraction increases accordingly. The role played by variations in the local chemical composition in determining the magnetic properties invites comparison with the behaviour of relaxor ferroelectrics. (C) 2014 Elsevier Inc. 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 |
London |
Editor |
|
| Language |
|
Wos |
000343346100024 |
Publication Date |
2014-09-01 |
| 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 |
13 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.299; 2014 IF: 2.133 |
| Call Number |
UA @ lucian @ c:irua:121134 |
Serial |
3588 |
| Permanent link to this record |
| |
|
| |
| Author |
Apolinario, S.W.S.; Aguiar, J.A.; Peeters, F.M. |
| Title |
Angular melting scenarios in binary dusty-plasma Coulomb balls : magic versus normal clusters |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
| Volume |
90 |
Issue |
6 |
Pages |
063113 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Molecular-dynamic simulations were performed in order to investigate the melting processes of isotropically confined binary systems. We considered two species of particles, which differ by their amount of electric charge. A Lindemann type of criterion was used to determine the angular melting temperature. We demonstrate that the magic-to-normal cluster transition can evolve in two distinct ways, that is, through a structural phase transition of the first order or via a smooth transition where an increase of the shells' width leads to a continuous decreasing mechanical stability of the system. Moreover, for large systems, we demonstrate that the internal cluster exerts a minor effect on the mechanical stability of the external shell. Furthermore, we show that highly symmetric configurations, such as those found for multiple ring structures, have large mechanical stability, i.e., high angular melting temperature. |
| Address |
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| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
| Language |
|
Wos |
000347207000027 |
Publication Date |
2014-12-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
1 |
Open Access |
|
| Notes |
; This work was supported by FACEPE (Fundacao de Amparo a Ciencia e Tecnologia do Estado de Pernambuco) Grant No. APQ-1800-1.05/ 12, the bilatera project between CNPq and FWO-VL, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
| Call Number |
UA @ lucian @ c:irua:122828 |
Serial |
116 |
| Permanent link to this record |
| |
|
| |
| Author |
Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. |
| Title |
Diffusion of interacting particles in discrete geometries: Equilibrium and dynamical properties |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
| Volume |
90 |
Issue |
5 |
Pages |
052139 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their behavior is similar to that of interacting particles in porous materials. Different expressions for the particle jump rates are derived from transition-state theory. Which expression should be used depends on the strength of the interparticle interactions. Analytical expressions for the self-and transport diffusion are derived when correlations, caused by memory effects in the environment, are neglected. The diffusive behavior is studied numerically with kinetic Monte Carlo (kMC) simulations, which reproduces the diffusion including correlations. The effect of correlations is studied by comparing the analytical expressions with the kMC simulations. It is found that the Maxwell-Stefan diffusion can exceed the self-diffusion. To our knowledge, this is the first time this is observed. The diffusive behavior in one-dimensional and higher-dimensional systems is qualitatively the same, with the effect of correlations decreasing for increasing dimension. The length dependence of both the self-and transport diffusion is studied for one-dimensional systems. For long lengths the self-diffusion shows a 1/L dependence. Finally, we discuss when agreement with experiments and simulations can be expected. The assumption that particles in different cavities do not interact is expected to hold quantitatively at low and medium particle concentrations if the particles are not strongly interacting. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
| Language |
|
Wos |
000345251500004 |
Publication Date |
2014-12-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
8 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek), Project No. G.0388.11. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government, Department EWI. ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
| Call Number |
UA @ lucian @ c:irua:122134 |
Serial |
700 |
| Permanent link to this record |
| |
|
| |
| Author |
Ramos, I.R.O.; Ferreira, W.P.; Munarin, F.F.; Peeters, F.M. |
| Title |
Dynamical properties and melting of binary two-dimensional colloidal alloys |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
| Volume |
90 |
Issue |
6 |
Pages |
062311 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
A two-dimensional (2D) binary colloidal system consisting of interacting dipoles is investigated using an analytical approach. Within the harmonic approximation we obtain the phonon spectrum of the system as a function of the composition, dipole-moment ratio, and mass ratio between the small and big particles. Through a systematic analysis of the phonon spectra we are able to determine the stability region of the different lattice structures of the colloidal alloys. The gaps in the phonon frequency spectrum, the optical frequencies in the long-wavelength limit, and the sound velocity are discussed as well. Using the modified Lindemann criterion and within the harmonic approximation we estimate the melting temperature of the sublattice generated by the big particles. |
| Address |
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| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
| Language |
|
Wos |
000346833500007 |
Publication Date |
2014-12-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
4 |
Open Access |
|
| Notes |
; This work was supported by the Brazilian agencies CNPq (Program Science Without Border), CAPES, and FUNCAP (International cooperation program); the Flemish Science Foundation (FWO-Vl); the bilateral program between Flanders and Brazil (CNPq-FWO collaborating project); and the VLIR-UOS (University Development Cooperation). I.R.O.R. is grateful to Professor E. B. Barros for fruitful discussions. W. P. F. thanks Professor D. Martin A. Buzza for his illuminating comments on this manuscript. ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
| Call Number |
UA @ lucian @ c:irua:122797 |
Serial |
771 |
| Permanent link to this record |
| |
|
| |
| Author |
Duarte-Neto, P.; Stosic, T.; Stosic, B.; Lessa, R.; Milošević, M.V. |
| Title |
Interplay of model ingredients affecting aggregate shape plasticity in diffusion-limited aggregation |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
| Volume |
90 |
Issue |
1 |
Pages |
012312 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We analyze the combined effect of three ingredients of an aggregation model-surface tension, particle flow and particle source-representing typical characteristics of many aggregation growth processes in nature. Through extensive numerical experiments and for different underlying lattice structures we demonstrate that the location of incoming particles and their preferential direction of flow can significantly affect the resulting general shape of the aggregate, while the surface tension controls the surface roughness. Combining all three ingredients increases the aggregate shape plasticity, yielding a wider spectrum of shapes as compared to earlier works that analyzed these ingredients separately. Our results indicate that the considered combination of effects is fundamental for modeling the polymorphic growth of a wide variety of structures in confined geometries and/or in the presence of external fields, such as rocks, crystals, corals, and biominerals. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
| Language |
|
Wos |
000341245400009 |
Publication Date |
2014-07-31 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
3 |
Open Access |
|
| Notes |
; This work was supported by CNPq, Brazil (Projects No. 201506/2011-4, No. 303251 /2010-7, and No. 306719/2012-6). M.V.M. acknowledges support from Flemish Science Foundation (FWO-Vlaanderen) and CAPES PVE action No. BEX1392/11-5. The crystal structure appearing in Fig. 11 was provided courtesy of L. dos Santos, UFPE, Brazil. ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
| Call Number |
UA @ lucian @ c:irua:119267 |
Serial |
1708 |
| Permanent link to this record |
| |
|
| |
| Author |
Galván Moya, J.E.; Lucena, D.; Ferreira, W.P.; Peeters, F.M. |
| Title |
Magnetic particles confined in a modulated channel : structural transitions tunable by tilting a magnetic field |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
| Volume |
89 |
Issue |
3 |
Pages |
032309-9 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The ground state of colloidal magnetic particles in a modulated channel are investigated as a function of the tilt angle of an applied magnetic field. The particles are confined by a parabolic potential in the transversal direction while in the axial direction a periodic substrate potential is present. By using Monte Carlo simulations, we construct a phase diagram for the different crystal structures as a function of the magnetic field orientation, strength of the modulated potential, and the commensurability factor of the system. Interestingly, we found first-and second-order phase transitions between different crystal structures, which can be manipulated by the orientation of the external magnetic field. A reentrant behavior is found between two-and four-chain configurations, with continuous second-order transitions. Novel configurations are found consisting of frozen solitons of defects. By changing the orientation and/or strength of the magnetic field and/or the strength and periodicity of the substrate potential, the system transits through different phases. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
| Language |
|
Wos |
000333702800015 |
Publication Date |
2014-03-31 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
11 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem programme of the Flemish government, CNPq, CAPES, FUNCAP (Pronex grant), the collaborative program CNPq-FWO-Vl, and the Brazilian program Science Without Borders CsF. Computational resources were provided by HPC infrastructure of University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC). ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
| Call Number |
UA @ lucian @ c:irua:117217 |
Serial |
1886 |
| Permanent link to this record |
| |
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| |
| Author |
Sobrino Fernandez, M.; Misko, V.R.; Peeters, F.M. |
| Title |
Self-assembly of Janus particles confined in a channel |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
| Volume |
89 |
Issue |
2 |
Pages |
022306-6 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Janus particles present an important class of building blocks for directional assembly. These are compartmentalized colloids with two different hemispheres. Here, we consider a two-dimensional model of Janus disks consisting of a hydrophobic semicircle and an electro-negatively charged one. Placed in a solution, the hydrophobic sides will attract each other while the charged sides will give rise to a repulsive force. Using molecular dynamics simulations, we study the morphology of these particles when confined in a channel-like environment using a one dimensional harmonic confinement potential. The interest to this system is first of all due to the fact that it could serve as a simple model for membrane formation. Indeed, the recently synthesized new class of artificial amphiphiles, known as Janus dendrimers, were shown to self-assemble in bilayer structures mimicking biological membranes. In turn, Janus particles that combine the amphiphilicity and colloidal rigidity serve as a good model for Janus dendrimers. A variety of ordered membrane-like morphologies are found consisting of single and multiple chain configurations with different orientations of the particles with respect to each other that we summarize in a phase diagram. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
| Language |
|
Wos |
000332179900009 |
Publication Date |
2014-02-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
11 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and by the “Odysseus” program of the Flemish government and FWO-Vl. ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
| Call Number |
UA @ lucian @ c:irua:115858 |
Serial |
2971 |
| Permanent link to this record |
| |
|
| |
| Author |
Lucena, D.; Galván Moya, J.E.; Ferreira, W.P.; Peeters, F.M. |
| Title |
Single-file and normal diffusion of magnetic colloids in modulated channels |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
| Volume |
89 |
Issue |
3 |
Pages |
032306-32309 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Diffusive properties of interacting magnetic dipoles confined in a parabolic narrow channel and in the presence of a periodic modulated (corrugated) potential along the unconfined direction are studied using Brownian dynamics simulations. We compare our simulation results with the analytical result for the effective diffusion coefficient of a single particle by Festa and d'Agliano [Physica A 90, 229 (1978)] and show the importance of interparticle interaction on the diffusion process. We present results for the diffusion of magnetic dipoles as a function of linear density, strength of the periodic modulation and commensurability factor. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
| Language |
|
Wos |
000333646400005 |
Publication Date |
2014-03-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
5 |
Open Access |
|
| Notes |
; This work was supported by CNPq, CAPES, FUNCAP (Pronex grant), the Flemish Science Foundation (FWO-Vl), the collaborative program CNPq-FWO-Vl, and the Brazilian program Science Without Borders (CsF). D. Lucena acknowledges fruitful discussions with W. A. Munoz, V. F. Becerra, E. C. Euan-Diaz, and M. R. Masir. ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
| Call Number |
UA @ lucian @ c:irua:116865 |
Serial |
3020 |
| Permanent link to this record |
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| |
| Author |
Van Holsbeke, C.S.; Verhulst, S.L.; Vos, W.G.; de Backer, J.W.; Vinchurkar, S.C.; Verdonck, P.R.; van Doorn, J.W.D.; Nadjmi, N.; de Backer, W.A. |
| Title |
Change in upper airway geometry between upright and supine position during tidal nasal breathing |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal Of Aerosol Medicine And Pulmonary Drug Delivery |
Abbreviated Journal |
J Aerosol Med Pulm D |
| Volume |
27 |
Issue |
1 |
Pages |
51-57 |
| Keywords |
A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW) |
| Abstract |
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| 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 |
000331144500007 |
Publication Date |
2013-03-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1941-2711;1941-2703; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.528 |
Times cited |
16 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 2.528; 2014 IF: 2.798 |
| Call Number |
UA @ lucian @ c:irua:115759 |
Serial |
308 |
| Permanent link to this record |
| |
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| |
| Author |
Meul, M.; Van Middelaar, C.E.; de Boer, I.J.M.; Van Passel, S.; Fremaut, D.; Haesaert, G. |
| Title |
Potential of life cycle assessment to support environmental decision making at commercial dairy farms |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Agricultural Systems |
Abbreviated Journal |
Agr Syst |
| Volume |
131 |
Issue |
|
Pages |
105-115 |
| Keywords |
A1 Journal article; Engineering Management (ENM) |
| Abstract |
In this paper, we evaluate the potential of life cycle assessment (LCA) to support environmental decision making at commercial dairy farms. To achieve this, we follow a four-step method that allows converting environmental assessment results using LCA into case-specific advice for farmers. This is illustrated in a case-study involving 20 specialized Flemish dairy farms. Calculated LCA indicators are normalized into scores between 0 and 100, whereby a score of 100 is assumed optimal, to allow for a mutual comparison of indicators for different environmental impact categories. Next, major farm and management characteristics affecting environmental performance are identified using multiple regression and correlation analyses. Finally, comparing specific farm and management characteristics with those of best performing farms identifies farm-specific optimization strategies. We conclude that this approach complies with most of the identified critical success factors for the successful implementation of LCA as a decision support system for farmers. Key aspects herein are (i) the flexibility and accessibility of the model, (ii) the use of readily available farm data, (iii) farm advisors being intended model users, (iv) the identification of key farm and management characteristics affecting environmental performance and (v) the organization of discussion sessions involving farmers and farm advisors. However, attention should be paid (i) to provide sufficient training and guidance for farm advisors on the use of the applied LCA model and the interpretation of results, (ii) to evaluate the correctness of the used data and (iii) to keep the model up-to-date according to new scientific insights and knowledge concerning LCA methodology. (C) 2014 Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000343955300011 |
Publication Date |
2014-09-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0308-521x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.571 |
Times cited |
25 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 2.571; 2014 IF: 2.906 |
| Call Number |
UA @ admin @ c:irua:127540 |
Serial |
6238 |
| Permanent link to this record |
| |
|
| |
| Author |
Neyts, E.C.; Yusupov, M.; Verlackt, C.C.; Bogaerts, A. |
| Title |
Computer simulations of plasmabiomolecule and plasmatissue interactions for a better insight in plasma medicine |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
47 |
Issue |
29 |
Pages |
293001 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Plasma medicine is a rapidly evolving multidisciplinary field at the intersection of chemistry, biochemistry, physics, biology, medicine and bioengineering. It holds great potential in medical, health care, dentistry, surgical, food treatment and other applications. This multidisciplinary nature and variety of possible applications come along with an inherent and intrinsic complexity. Advancing plasma medicine to the stage that it becomes an everyday tool in its respective fields requires a fundamental understanding of the basic processes, which is lacking so far. However, some major advances have already been made through detailed experiments over the last 15 years. Complementary, computer simulations may provide insight that is difficultif not impossibleto obtain through experiments. In this review, we aim to provide an overview of the various simulations that have been carried out in the context of plasma medicine so far, or that are relevant for plasma medicine. We focus our attention mostly on atomistic simulations dealing with plasmabiomolecule interactions. We also provide a perspective and tentative list of opportunities for future modelling studies that are likely to further advance the field. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000338860300001 |
Publication Date |
2014-06-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
28 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
| Call Number |
UA @ lucian @ c:irua:117853 |
Serial |
472 |
| Permanent link to this record |
| |
|
| |
| Author |
Zhang, Y.; Jiang, W.; Bogaerts, A. |
| Title |
Kinetic simulation of direct-current driven microdischarges in argon at atmospheric pressure |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
47 |
Issue |
43 |
Pages |
435201 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
A one-dimensional, implicit particle-in-cell Monte Carlo collision model is used to simulate the plasma kinetic properties at a steady state in a parallel-plate direct current argon glow microdischarge under various operating conditions, such as driving voltage (301000 V) and gap size (101000 µm) at atmospheric pressure. First, a comparison between rf and dc modes is shown for the same pressure, driving voltage and gap spacing. Furthermore, the effect of gap size scaling (in the range of 101000 µm) on the breakdown voltage, peak electron density and peak electron current density at the breakdown voltage is examined. The breakdown voltage is lower than 150 V in all gaps considered. The microdischarge is found to have a neutral bulk plasma region and a cathode sheath region with size varying with the applied voltage and the discharge gap. In our calculations, the electron and ion densities are of the order of 10181023 m−3, which is in the glow discharge limit, as the ionization degree is lower than 1% . The electron energy distribution function shows a two-energy group distribution at a gap of 10 µm and a three-energy group distribution at larger gaps such as 200 µm and 1000 µm, emphasizing the importance of the gap spacing in dc microdischarges. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000343150500011 |
Publication Date |
2014-10-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
10 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
| Call Number |
UA @ lucian @ c:irua:119152 |
Serial |
1759 |
| Permanent link to this record |
| |
|
| |
| Author |
Yusupov, M.; Neyts, E.C.; Simon, P.; Berdiyorov, G.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A. |
| Title |
Reactive molecular dynamics simulations of oxygen species in a liquid water layer of interest for plasma medicine |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
47 |
Issue |
2 |
Pages |
025205-25209 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The application of atmospheric pressure plasmas in medicine is increasingly gaining attention in recent years, although very little is currently known about the plasma-induced processes occurring on the surface of living organisms. It is known that most bio-organisms, including bacteria, are coated by a liquid film surrounding them, and there might be many interactions between plasma species and the liquid layer before the plasma species reach the surface of the bio-organisms. Therefore, it is essential to study the behaviour of the reactive species in a liquid film, in order to determine whether these species can travel through this layer and reach the biomolecules, or whether new species are formed along the way. In this work, we investigate the interaction of reactive oxygen species (i.e. O, OH, HO2 and H2O2) with water, which is assumed as a simple model system for the liquid layer surrounding biomolecules. Our computational investigations show that OH, HO2 and H2O2 can travel deep into the liquid layer and are hence in principle able to reach the bio-organism. Furthermore, O, OH and HO2 radicals react with water molecules through hydrogen-abstraction reactions, whereas no H-abstraction reaction takes place in the case of H2O2. This study is important to gain insight into the fundamental operating mechanisms in plasma medicine, in general, and the interaction mechanisms of plasma species with a liquid film, in particular. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000329108000013 |
Publication Date |
2013-12-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
51 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
| Call Number |
UA @ lucian @ c:irua:112286 |
Serial |
2823 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A.; Neyts, E.C.; Rousseau, A. |
| Title |
Special issue on fundamentals of plasmasurface interactions |
Type |
Editorial |
| Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
47 |
Issue |
22 |
Pages |
220301 |
| Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Iop publishing ltd |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000336207900001 |
Publication Date |
2014-05-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
| Call Number |
UA @ lucian @ c:irua:116917 |
Serial |
3068 |
| Permanent link to this record |
| |
|
| |
| Author |
Buffière, M.; Brammertz, G.; Oueslati, S.; El Anzeery, H.; Bekaert, J.; Ben Messaoud, K.; Köble, C.; Khelifi, S.; Meuris, M.; Poortmans, J. |
| Title |
Spectral current-voltage analysis of kesterite solar cells |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
47 |
Issue |
17 |
Pages |
175101-175105 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
Current-voltage analysis using different optical band pass filters has been performed on Cu2ZnSnSe4 and Cu2ZnSn(S, Se)(4) thin-film solar cells. When using red or orange light (i.e. wavelengths above 600 nm), a distortion appears in the I-V curve of the Cu2ZnSnSe4 solar cell, indicating an additional potential barrier to the current flow in the device for these conditions of illumination. This barrier is reduced when using a Cu2ZnSn(S, Se)(4) absorber. Numerical simulations demonstrate that the barrier visible under red light could be explained by a positive conduction band offset at the front interface coupled with compensating defects in the buffer layer. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000334504800003 |
Publication Date |
2014-04-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
25 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
| Call Number |
UA @ lucian @ c:irua:117170 |
Serial |
3070 |
| Permanent link to this record |
| |
|
| |
| Author |
Setareh, M.; Farnia, M.; Maghari, A.; Bogaerts, A. |
| Title |
CF4 decomposition in a low-pressure ICP : influence of applied power and O2 content |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
47 |
Issue |
35 |
Pages |
355205 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
This paper focuses on the investigation of CF4 decomposition in a low-pressure inductively coupled plasma by means of a global model. The influence of O2 on the CF4 decomposition process is studied for conditions used in semiconductor manufacturing processes. The model is applied for different powers and O2 contents ranging between 2% and 98% in the CF4/O2 gas mixture. The model includes the reaction mechanisms in the gas phase coupled with the surface reactions and sticking probabilities of the species at the walls. The calculation results are first compared with experimental results from the literature (for the electron density, temperature and F atom density) at a specific power, in the entire range of CF4/O2 gas mixture ratios, and the obtained agreements indicate the validity of the model. The main products of the gas mixture, obtained from this model, include CO, CO2 and COF2 together with a low fraction of F2. The most effective reactions for the formation and loss of the various species in this process are also determined in detail. Decomposition of CF4 produces mostly CF3 and F radicals. These radicals also contribute to the backward reactions, forming again CF4. This study reveals that the maximum decomposition efficiency of CF4 is achieved at a CF4/O2 ratio equal to 1, at the applied power of 300 W. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000341353800017 |
Publication Date |
2014-08-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
8 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
| Call Number |
UA @ lucian @ c:irua:118327 |
Serial |
3521 |
| Permanent link to this record |
| |
|
| |
| Author |
Neyts, E.C.; Bogaerts, A. |
| Title |
Understanding plasma catalysis through modelling and simulation : a review |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
47 |
Issue |
22 |
Pages |
224010 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Plasma catalysis holds great promise for environmental applications, provided that the process viability can be maximized in terms of energy efficiency and product selectivity. This requires a fundamental understanding of the various processes taking place and especially the mutual interactions between plasma and catalyst. In this review, we therefore first examine the various effects of the plasma on the catalyst and of the catalyst on the plasma that have been described in the literature. Most of these studies are purely experimental. The urgently needed fundamental understanding of the mechanisms underpinning plasma catalysis, however, may also be obtained through modelling and simulation. Therefore, we also provide here an overview of the modelling efforts that have been developed already, on both the atomistic and the macroscale, and we identify the data that can be obtained with these models to illustrate how modelling and simulation may contribute to this field. Last but not least, we also identify future modelling opportunities to obtain a more complete understanding of the various underlying plasma catalytic effects, which is needed to provide a comprehensive picture of plasma catalysis. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Iop publishing ltd |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000336207900011 |
Publication Date |
2014-05-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
130 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
| Call Number |
UA @ lucian @ c:irua:116920 |
Serial |
3803 |
| Permanent link to this record |
| |
|
| |
| Author |
Dufour, T.; Minnebo, J.; Abou Rich, S.; Neyts, E.C.; Bogaerts, A.; Reniers, F. |
| Title |
Understanding polyethylene surface functionalization by an atmospheric He/O2 plasma through combined experiments and simulations |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
47 |
Issue |
22 |
Pages |
224007 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
High density polyethylene surfaces were exposed to the atmospheric post-discharge of a radiofrequency plasma torch supplied in helium and oxygen. Dynamic water contact angle measurements were performed to evaluate changes in surface hydrophilicity and angle resolved x-ray photoelectron spectroscopy was carried out to identify the functional groups responsible for wettability changes and to study their subsurface depth profiles, up to 9 nm in depth. The reactions leading to the formation of CO, C = O and OC = O groups were simulated by molecular dynamics. These simulations demonstrate that impinging oxygen atoms do not react immediately upon impact but rather remain at or close to the surface before eventually reacting. The simulations also explain the release of gaseous species in the ambient environment as well as the ejection of low molecular weight oxidized materials from the surface. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000336207900008 |
Publication Date |
2014-05-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
13 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
| Call Number |
UA @ lucian @ c:irua:116919 |
Serial |
3804 |
| Permanent link to this record |
| |
|
| |
| Author |
Lamas, J.S.; Leroy, W.P.; Lu, Y.-G.; Verbeeck, J.; Van Tendeloo, G.; Depla, D. |
| Title |
Using the macroscopic scale to predict the nano-scale behavior of YSZ thin films |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Surface and coatings technology |
Abbreviated Journal |
Surf Coat Tech |
| Volume |
238 |
Issue |
|
Pages |
45-50 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
In this work, Yttria-stabilized zirconia (YSZ) thin films were deposited using dual reactive magnetron sputtering. By varying the deposition conditions, the film morphology and texture of the thin films are tuned and biaxial alignment is obtained. Studying the crystallographic and microstructural properties of the YSZ thin films, a tilted columnar growth was identified. This tilt is shown to be dependent on the compositional gradient of the sample. The variation of composition within a single YSZ column measured via STEM-EDX is demonstrated to be equal to the macroscopic variation on a full YSZ sample when deposited under the same deposition parameters. A simple stress model was developed to predict the tilt of the growing columns. The results indicate that this model not only determines the column bending of the growing film but also confirms that a macroscopic approach is sufficient to determine the compositional gradient in a single column of the YSZ thin films. (C) 2013 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 |
Lausanne |
Editor |
|
| Language |
|
Wos |
000331028200005 |
Publication Date |
2013-10-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0257-8972; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.589 |
Times cited |
8 |
Open Access |
|
| Notes |
246791 Countatoms; 278510 Vortex;Nmp3-La-2010-246102 Ifox; 312483 Esteem2; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 2.589; 2014 IF: 1.998 |
| Call Number |
UA @ lucian @ c:irua:115765 |
Serial |
3827 |
| Permanent link to this record |
| |
|
| |
| Author |
Cagno, S.; Hellemans, K.; Lind, O.C.; Skipperud, L.; Janssens, K.; Salbu, B. |
| Title |
LA-ICP-MS for Pu source identification at Mayak PA, the Urals, Russia |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Environmental science : processes & impacts |
Abbreviated Journal |
Environ Sci-Proc Imp |
| Volume |
16 |
Issue |
2 |
Pages |
306-312 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Information on Pu in environmental samples is traditionally based on the determination of the 240+239PU activity via Alpha Spectrometry (AS). A large number of alpha spectrometry sources (planchettes) containing radiochemically separated Pu are therefore stored worldwide and are available for further analyses. These archive samples represent a resource from which valuable information on isotopic composition of alpha emitters including Pu can be obtained. The relative abundances of Pu isotopes can be used to trace specific Pu sources and characterize the relative contributions of different Pu sources in a sample. Thus, in addition to the total 239+240PU activity, determination of the Pu-240/Pu-239 ratio can provide valuable information on the nature of the Pu emitting sources. The Pu isotopic ratios can be determined by mass spectrometry techniques such as Sector Field Inductively Coupled Plasma Mass Spectrometry (SF-ICPMS) or Accelerator Mass Spectrometry (AMS) that require dissolution and complete destruction of the material deposited on the planchettes. In this study Laser Ablation (LA)-quadrupole-ICP-MS has been employed for the analysis of Pu-239/Pu-240 ratios from alpha-planchettes prepared from samples originating from the Mayak PA nuclear facility, Russia. The results are compared with data from AMS and show that the Pu-240/Pu-239 ratios obtained by LA-ICP-MS can be utilized to distinguish weapons-grade Pu from civil reprocessing sources. Moreover, isotope ratio mapping can also be performed across the planchettes, allowing e.g. the visualization of possible inhomogeneities in the Pu-isotope distribution on their surface. Thus, this solid sample technique can be applied to extract additional information from existing archives of samples. |
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000331504100015 |
Publication Date |
2013-12-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2050-7887; 2050-7895 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.592 |
Times cited |
10 |
Open Access |
|
| Notes |
; This work was supported by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/F50, and the Hercules fund, Brussels (grant A11/0387). ; |
Approved |
Most recent IF: 2.592; 2014 IF: 2.171 |
| Call Number |
UA @ admin @ c:irua:115791 |
Serial |
5684 |
| Permanent link to this record |
| |
|
| |
| Author |
Hellemans, K.; Vincke, A.; Cagno, S.; Herremans, D.; De Clercq, W.; Janssens, K. |
| Title |
Composition and state of alteration of 18th-century glass finds found at the Cistercian nunnery of Clairefontaine, Belgium |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of archaeological science |
Abbreviated Journal |
J Archaeol Sci |
| Volume |
47 |
Issue |
|
Pages |
121-133 |
| Keywords |
A1 Journal article; Philosophy; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
A hundred 18th-century glass fragments were recovered at the Clairefontaine monastery in the Belgian province of Luxembourg. They were analysed by a combination of SEM-EDX and LA-ICP-MS in order to determine their major composition as well as their trace element signature. Multivariate statistical methods such as hierarchical clustering and principal component analysis were used to divide the glass fragments into four main groups: potassium-rich glass, sodium-rich glass, potassium/lime-rich glass and high-lime-low-alkali glass. Within every group, not only a similarity in composition is observed, but also in colour, morphology and deterioration patterns. Potash glass fragments are the most abundant and show extensive deterioration; two classes of potash glass were identified: one similar to certain Central European glass compositions, while the other one, characterised by large variations in potash: lime ratio, may be attributed to local (regional) glass production. (C) 2014 Elsevier Ltd. 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 |
|
Editor |
|
| Language |
|
Wos |
000339037300012 |
Publication Date |
2014-04-24 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0305-4403 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.602 |
Times cited |
12 |
Open Access |
|
| Notes |
; Archaeological fieldwork at Clairefontaine was directed by Prof. Dr. J. De Meulemeester (dagger) and financed by the Walloon Government. Post-excavation research is carried out within the framework of the PhD-project (FNR Luxembourg BFR06-80): “The material culture of Clairefontaine abbey”. This investigation was supported by the Interuniversity Attraction Poles Programme (Belgian Science Policy – IUAP VI/16) and by the HERCULES foundation. This work was partly supported by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/F50. ; |
Approved |
Most recent IF: 2.602; 2014 IF: 2.196 |
| Call Number |
UA @ admin @ c:irua:118711 |
Serial |
5536 |
| Permanent link to this record |
| |
|
| |
| Author |
Cagno, S.; Cosyns, P.; Izmer, A.; Vanhaecke, F.; Nys, K.; Janssens, K. |
| Title |
Deeply colored and black-appearing Roman glass : a continued research |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of archaeological science |
Abbreviated Journal |
J Archaeol Sci |
| Volume |
42 |
Issue |
|
Pages |
128-139 |
| Keywords |
A1 Journal article; Philosophy; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
In the context of archaeological and historical assessment of Roman black-appearing glass, the chemical and physical characterization of a large collection of samples originating from various areas of the Roman Empire has been gathered over the past years to (i) verify whether a minor segment of the overall Roman glass production can help in determining possible diachronic changes in Roman imperial glass production (1st century AD – 5th century AD) and (ii) reveal regional compositional differences. In this paper, the latest results on the chemical composition of an additional 44 black-appearing Roman glass samples are presented, together with general conclusions based upon the entire compositional dataset of over 400 analyzed black glass samples. The results show that the Roman black glass is obtained through several glass compositions with a specific chronological, geographical and typological distribution. (C) 2013 Elsevier Ltd. 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 |
|
| Language |
|
Wos |
000332133100011 |
Publication Date |
2013-11-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0305-4403 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.602 |
Times cited |
18 |
Open Access |
|
| Notes |
; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (IUAP VI/16) and the Hercules fund, Brussels (grant A11/ 0387). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium), FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09, and VUB project OZR-BOF 1247. This work was partly supported by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/F50. ; |
Approved |
Most recent IF: 2.602; 2014 IF: 2.196 |
| Call Number |
UA @ admin @ c:irua:115865 |
Serial |
5567 |
| Permanent link to this record |
| |
|
| |
| Author |
Khazzan, S.; Bessais, L.; Van Tendeloo, G.; Mliki, N. |
| Title |
Correlation between the nanocrystalline Sm(Fe,Mo)12 and its out of equilibrium phase Sm(Fe,Mo)10 |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
J Magn Magn Mater |
| Volume |
363 |
Issue |
|
Pages |
125-132 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Nanostructured Sm-Fe-Mo semi-hard magnetic material exhibiting enhanced magnetic properties can be produced by ball milling followed by recrystallization. Milled samples were annealed for 30 min in a vacuum at different temperatures (T-A) between 700 and 1190 degrees C. The effects of heat treatment and Mo content on structural and magnetic property changes have been investigated by means of X-ray diffraction using the Rietvekl method, transmission electron microscopy and magnetic measurements. For samples annealed at T-A > 900 degrees C the tetragonal ThMn12-type structure is identified, while for 700 < T-A < 900 degrees C a new out of equilibrium P6/mmm type structure was found as the major phase. This novel nanocrystalline phase has never been synthesized before. The correspondent stoichiometry is determined on the basis of the vacancy model. The Rietveld analysis gives a stoichiometry ratio equal to 1:10, for the out of equilibrium hexagonal phase, which is described with three crystallographic transition metal sites: 3g is fully occupied, 61 occupation is limited to hexagons surrounding the Fe dumbbell pairs 2e. We have performed a magnetic and structural study of nanocrystalline metastable P6/mrnm Sm(Fe1-xMo)(10), correlated with structural transformation towards its equilibrium derivative 14/mrnm Sm(Fe1-xMo)(12). A maximum of the coercive field H-C (H-C > 5 kOe) has been observed for the new hexagonal P6/rnmm phase suggesting that nanocrystalline Sm(Fe,Mo)(10), is a semi hard material, and is potential candidate for magnetic recording. (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 |
|
| Language |
|
Wos |
000335393900021 |
Publication Date |
2014-04-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-8853; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.63 |
Times cited |
6 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.63; 2014 IF: 1.970 |
| Call Number |
UA @ lucian @ c:irua:117139 |
Serial |
524 |
| Permanent link to this record |
| |
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| |
| Author |
Ghosh, S.; Tongay, S.; Hebard, A.F.; Sahin, H.; Peeters, F.M. |
| Title |
Ferromagnetism in stacked bilayers of Pd/C60 |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
J Magn Magn Mater |
| Volume |
349 |
Issue |
|
Pages |
128-134 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We provide experimental evidence for the existence of ferromagnetism in bilayers of Pd/C-60 which is supported by theoretical calculations based on density functional theory (DFT). The observed ferromagnetism is surprising as C-60 and Pd films are both non-ferromagnetic in the non-interacting limit. Magnetization (M) versus applied field (H) data acquired at different temperatures (T) show magnetic hysteresis with typical coercive fields (H-c) on the order of 50 Oe. From the temperature-dependent magnetization M(T) we extract a Curie temperature (T-c >= 550 K) using Bloch-like power law extrapolations to high temperatures. Using DFT calculations we investigated all plausible scenarios for the interaction between the C-60 molecules and the Pd slabs, Pd single atoms and Pd clusters. DFT shows that while the C-60 molecules are nonmagnetic, Pd films have a degenerate ground state that subject to a weak perturbation, can become ferromagnetic. Calculations also show that the interaction of C-60 molecules with excess Pd atoms and with sharp edges of a Pd slab is the most likely configuration that render the system ferromagnetic Interestingly, the calculated charge transfer (0.016 e per surface Pd atom, 0.064 e per Pd for intimate contact region) between C-60 and Pd does not appear to play an important role. (C) 2013 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 |
|
| Language |
|
Wos |
000326037600022 |
Publication Date |
2013-08-02 |
| 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 |
0304-8853; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.63 |
Times cited |
8 |
Open Access |
|
| Notes |
; We thank Prof. Amlan Biswas and Daniel Grant for Atomic Force Microscopy measurements. This work is supported by the National Science Foundation (NSF) under Contract Number 1005301 (AFH). The authors also thank S. Ciraci for fruitful discussions. All the computational resources have been provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. Sahin is also supported by a FWO Pegasus Marie Curie Long Fellowship during the study. ; |
Approved |
Most recent IF: 2.63; 2014 IF: 1.970 |
| Call Number |
UA @ lucian @ c:irua:112214 |
Serial |
1184 |
| Permanent link to this record |
| |
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| |
| Author |
Oncel, N.; Çakir, D.; Dil, J.H.; Slomski, B.; Landolt, G. |
| Title |
Angle-resolved synchrotron photoemission and density functional theory on the iridium modified Si(111) surface |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
26 |
Issue |
28 |
Pages |
285501 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The physical and electronic properties of the Ir modified Si(1 1 1) surface have been investigated with the help of angle resolved photoemission spectroscopy and density functional theory. The surface consists of Ir-ring clusters that form a root 7 x root 7 -R19.1 degrees reconstruction. A comparison between the measured and calculated band structure of the system reveals that the dispersions of the projected bulk states and the states originating from '1x1' domains are heavily modified due to Umklapp scattering from the surface Brillouin zone. Density of states calculations show that Ir-ring clusters contribute to the states in the vicinity of the Fermi level. |
| 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 |
000338830300019 |
Publication Date |
2014-06-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
4 |
Open Access |
|
| Notes |
; This work was partially supported by the National Science Foundation (DMR-1306101), North Dakota EPSCoR office (NSF grant #EPS-814442), the University of North Dakota and the Swiss National Science Foundation. Computer resources used in this work partially provided by Computational Research Center (HPC-Linux cluster) at UND and TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). ; |
Approved |
Most recent IF: 2.649; 2014 IF: 2.346 |
| Call Number |
UA @ lucian @ c:irua:118636 |
Serial |
114 |
| Permanent link to this record |
| |
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| |
| Author |
Ravi Kishore, V.V.; Partoens, B.; Peeters, F.M. |
| Title |
Electronic and optical properties of core-shell nanowires in a magnetic field |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
26 |
Issue |
9 |
Pages |
095501-95512 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The electronic and optical properties of zincblende nanowires are investigated in the presence of a uniform magnetic field directed along the [001] growth direction within the k . p method. We focus our numerical study on core-shell nanowires consisting of the III-V materials GaAs, AlxGa1-xAs and AlyGa1-y/0.51In0.49P. Nanowires with electrons confined in the core exhibit a Fock-Darwin-like spectrum, whereas nanowires with electrons confined in the shell show Aharonov-Bohm oscillations. Thus, by properly choosing the core and the shell materials of the nanowire, the optical properties in a magnetic field can be tuned in very different ways. |
| 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 |
|
Wos |
000331954500006 |
Publication Date |
2014-02-12 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
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| ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
10 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish government. ; |
Approved |
Most recent IF: 2.649; 2014 IF: 2.346 |
| Call Number |
UA @ lucian @ c:irua:115845 |
Serial |
998 |
| Permanent link to this record |
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| |
| Author |
Szaszko-Bogar, V.; Foeldi, P.; Peeters, F.M. |
| Title |
Oscillating spin-orbit interaction as a source of spin-polarized wavepackets in two-terminal nanoscale devices |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
26 |
Issue |
13 |
Pages |
135302 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Ballistic transport through nanoscale devices with time-dependent Rashba-type spin- orbit interaction (SOI) can lead to spin-polarized wavepackets that appear even for completely unpolarized input. The SOI that oscillates in a finite domain generates density and spin polarization fluctuations that leave the region as propagating waves. In particular, spin polarization has space and time dependence even in regions without SOI. Our results are based on an analytical solution of the time-dependent Schrodinger equation. The relevant Floquet quasi-energies that are obtained appear in the energy spectrum of both the transmitted and the reflected waves. |
| 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 |
|
Publication Date |
0000-00-00 |
| 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 |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.649; 2014 IF: 2.346 |
| Call Number |
UA @ lucian @ c:irua:116844 |
Serial |
2533 |
| Permanent link to this record |
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|
| |
| Author |
Nasr Esfahani, D.; Covaci, L.; Peeters, F.M. |
| Title |
Surface correlation effects in two-band strongly correlated slabs |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
26 |
Issue |
7 |
Pages |
075601-75609 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Using an extension of the Gutzwiller approximation for an inhomogeneous system, we study the two-band Hubbard model with unequal band widths for a slab geometry. The aim is to investigate the mutual effect of individual bands on the spatial distribution of quasi-particle weight and charge density, especially near the surface of the slab. The main effect of the difference in band width is the presence of two different length scales corresponding to the quasi-particle profile of each band. This is enhanced in the vicinity of the critical interaction of the narrow band where an orbitally selective Mott transition occurs and a surface dead layer forms for the narrow band. For the doped case, two different regimes of charge transfer between the surface and the bulk of the slab are revealed. The charge transfer from surface/ center to center/ surface depends on both the doping level and the average relative charge accumulated in each band. Such effects could also be of importance when describing the accumulation of charges at the interface between structures made of multi-band strongly correlated materials. |
| 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 |
|
Wos |
000330719500009 |
Publication Date |
2014-01-29 |
| 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 |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
1 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. One of us (LC) is a postdoctoral fellow of the FWO-Vl. ; |
Approved |
Most recent IF: 2.649; 2014 IF: 2.346 |
| Call Number |
UA @ lucian @ c:irua:115723 |
Serial |
3395 |
| Permanent link to this record |
