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Author Naseri, M.; Bafekry, A.; Faraji, M.; Hoat, D.M.; Fadlallah, M.M.; Ghergherehchi, M.; Sabbaghi, N.; Gogova, D.
  Title Two-dimensional buckled tetragonal cadmium chalcogenides including CdS, CdSe, and CdTe monolayers as photo-catalysts for water splitting Type A1 Journal article
  Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal (up) Phys Chem Chem Phys
  Volume 23 Issue 21 Pages 12226-12232
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Pure hydrogen production via water splitting is an ideal strategy for producing clean and sustainable energy. Two-dimensional (2D) cadmium chalcogenide single-layers with a tetragonal crystal structure, namely Tetra-CdX (X = S, Se, and Te) monolayers, are theoretically predicted by means of density functional theory (DFT). Their structural stability and electronic and optical properties are investigated. We find that Tetra-CdX single-layers are thermodynamically stable. Their stability decreases as we go down the 6A group in the periodic table, i.e., from X = S to Se, and Te which also means that the electronegativity decreases. All considered novel monolayers are indirect band gap semiconductors. Using the HSE06 functional the electronic band gaps of CdS, CdSe, and CdTe monolayers are predicted to be 3.10 eV, 2.97 eV, and 2.90 eV, respectively. The impact of mechanical strain on the physical properties was studied, which indicates that compressive strain increases the band gap and tensile strain decreases the band gap. The optical properties of the Tetra-CdX monolayers show the ability of these monolayers to absorb visible light. Due to the suitable band gaps and band edge positions of Tetra-CdX, these newly discovered 2D materials are promising for photocatalytic water splitting.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000651904600001 Publication Date 2021-04-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 4.123
  Call Number UA @ admin @ c:irua:178378 Serial 7041
Permanent link to this record
 

 
Author Bafekry, A.; Karbasizadeh, S.; Stampfl, C.; Faraji, M.; Hoat, D.M.; Sarsari, I.A.; Feghhi, S.A.H.; Ghergherehchi, M.
  Title Two-dimensional Janus semiconductor BiTeCl and BiTeBr monolayers : a first-principles study on their tunable electronic properties via an electric field and mechanical strain Type A1 Journal article
  Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal (up) Phys Chem Chem Phys
  Volume 23 Issue 28 Pages 15216-15223
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Motivated by the recent successful synthesis of highly crystalline ultrathin BiTeCl and BiTeBr layered sheets [Debarati Hajra et al., ACS Nano, 2020, 14, 15626], herein for the first time, we carry out a comprehensive study on the structural and electronic properties of BiTeCl and BiTeBr Janus monolayers using density functional theory (DFT) calculations. Different structural and electronic parameters including the lattice constant, bond lengths, layer thickness in the z-direction, different interatomic angles, work function, charge density difference, cohesive energy and Rashba coefficients are determined to acquire a deep understanding of these monolayers. The calculations show good stability of the studied single layers. BiTeCl and BiTeBr monolayers are semiconductors with electronic bandgaps of 0.83 and 0.80 eV, respectively. The results also show that the semiconductor-metal transformation can be induced by increasing the number of layers. In addition, the engineering of the electronic structure is also studied by applying an electric field, and mechanical uniaxial and biaxial strain. The results show a significant change of the bandgaps and that an indirect-direct band-gap transition can be induced. This study highlights the positive prospect for the application of BiTeCl and BiTeBr layered sheets in novel electronic and energy conversion systems.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000670553900001 Publication Date 2021-06-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.123
  Call Number UA @ admin @ c:irua:179827 Serial 7042
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Author Baskurt, M.; Nair, R.R.; Peeters, F.M.; Sahin, H.
  Title Ultra-thin structures of manganese fluorides : conversion from manganese dichalcogenides by fluorination Type A1 Journal article
  Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal (up) Phys Chem Chem Phys
  Volume 23 Issue 17 Pages 10218-10224
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract In this study, it is predicted by density functional theory calculations that graphene-like novel ultra-thin phases of manganese fluoride crystals, that have nonlayered structures in their bulk form, can be stabilized by fluorination of manganese dichalcogenide crystals. First, it is shown that substitution of fluorine atoms with chalcogens in the manganese dichalcogenide host lattice is favorable. Among possible crystal formations, three stable ultra-thin structures of manganese fluoride, 1H-MnF2, 1T-MnF2 and MnF3, are found to be stable by total energy optimization calculations. In addition, phonon calculations and Raman activity analysis reveal that predicted novel single-layers are dynamically stable crystal structures displaying distinctive characteristic peaks in their vibrational spectrum enabling experimental determination of the corresponding phases. Differing from 1H-MnF2 antiferromagnetic (AFM) large gap semiconductor, 1T-MnF2 and MnF3 single-layers are semiconductors with ferromagnetic (FM) ground state.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000641719700001 Publication Date 2021-04-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 1 Open Access Not_Open_Access
  Notes Approved Most recent IF: 4.123
  Call Number UA @ admin @ c:irua:178252 Serial 7043
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Author Sozen, Y.; Yagmurcukardes, M.; Sahin, H.
  Title Vibrational and optical identification of GeO₂ and GeO single layers : a first-principles study Type A1 Journal article
  Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal (up) Phys Chem Chem Phys
  Volume 23 Issue 37 Pages 21307-21315
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract In the present work, the identification of two hexagonal phases of germanium oxides (namely GeO2 and GeO) through the vibrational and optical properties is reported using density functional theory calculations. While structural optimizations show that single-layer GeO2 and GeO crystallize in 1T and buckled phases, phonon band dispersions reveal the dynamical stability of each structure. First-order off-resonant Raman spectral predictions demonstrate that each free-standing single-layer possesses characteristic peaks that are representative for the identification of the germanium oxide phase. On the other hand, electronic band dispersion analysis shows the insulating and large-gap semiconducting nature of single-layer GeO2 and GeO, respectively. Moreover, optical absorption, reflectance, and transmittance spectra obtained by means of G(0)W(0)-BSE calculations reveal the existence of tightly bound excitons in each phase, displaying strong optical absorption. Furthermore, the excitonic gaps are found to be at deep UV and visible portions of the spectrum, for GeO2 and GeO crystals, with energies of 6.24 and 3.10 eV, respectively. In addition, at the prominent excitonic resonances, single-layers display high reflectivity with a zero transmittance, which is another indication of the strong light-matter interaction inside the crystal medium.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000697364300001 Publication Date 2021-09-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 4.123
  Call Number UA @ admin @ c:irua:181571 Serial 7044
Permanent link to this record
 

 
Author Demirkol, Ö.; Sevik, C.; Demiroğlu, I.
  Title First principles assessment of the phase stability and transition mechanisms of designated crystal structures of pristine and Janus transition metal dichalcogenides Type A1 Journal article
  Year 2022 Publication Physical chemistry, chemical physics Abbreviated Journal (up) Phys Chem Chem Phys
  Volume 24 Issue 12 Pages 7430-7441
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Two-dimensional Transition Metal Dichalcogenides (TMDs) possessing extraordinary physical properties at reduced dimensionality have attracted interest due to their promise in electronic and optical device applications. However, TMD monolayers can show a broad range of different properties depending on their crystal phase; for example, H phases are usually semiconductors, while the T phases are metallic. Thus, controlling phase transitions has become critical for device applications. In this study, the energetically low-lying crystal structures of pristine and Janus TMDs are investigated by using ab initio Nudged Elastic Band and molecular dynamics simulations to provide a general explanation for their phase stability and transition properties. Across all materials investigated, the T phase is found to be the least stable and the H phase is the most stable except for WTe2, while the T' and T '' phases change places according to the TMD material. The transition energy barriers are found to be large enough to hint that even the higher energy phases are unlikely to undergo a phase transition to a more stable phase if they can be achieved except for the least stable T phase, which has zero barrier towards the T ' phase. Indeed, in molecular dynamics simulations the thermodynamically least stable T phase transformed into the T ' phase spontaneously while in general no other phase transition was observed up to 2100 K for the other three phases. Thus, the examined T ', T '' and H phases were shown to be mostly stable and do not readily transform into another phase. Furthermore, so-called mixed phase calculations considered in our study explain the experimentally observed lateral hybrid structures and point out that the coexistence of different phases is strongly stable against phase transitions. Indeed, stable complex structures such as metal-semiconductor-metal architectures, which have immense potential to be used in future device applications, are also possible based on our investigation.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000766791000001 Publication Date 2022-02-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.3 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.3
  Call Number UA @ admin @ c:irua:187184 Serial 7164
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Author Yorulmaz, U.; Šabani, D.; Yagmurcukardes, M.; Sevik, C.; Milošević, M.V.
  Title High-throughput analysis of tetragonal transition metal Xenes Type A1 Journal article
  Year 2022 Publication Physical chemistry, chemical physics Abbreviated Journal (up) Phys Chem Chem Phys
  Volume 24 Issue 48 Pages 29406-29412
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We report a high-throughput first-principles characterization of the structural, mechanical, electronic, and vibrational properties of tetragonal single-layer transition metal Xenes (t-TMXs). Our calculations revealed 22 dynamically, mechanically and chemically stable structures among the 96 possible free-standing layers present in the t-TMX family. As a fingerprint for their structural identification, we identified four characteristic Raman active phonon modes, namely three in-plane and one out-of-plane optical branches, with various intensities and frequencies depending on the material in question. Spin-polarized electronic calculations demonstrated that anti-ferromagnetic (AFM) metals, ferromagnetic (FM) metals, AFM semiconductors, and non-magnetic semiconductor materials exist within this family, evidencing the potential of t-TMXs for further use in multifunctional heterostructures.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000892446100001 Publication Date 2022-11-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.3 Times cited 1 Open Access Not_Open_Access
  Notes Approved Most recent IF: 3.3
  Call Number UA @ admin @ c:irua:192762 Serial 7310
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Author Vermeyen, T.; Brence, J.; Van Echelpoel, R.; Aerts, R.; Acke, G.; Bultinck, P.; Herrebout, W.
  Title Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism Type A1 Journal article
  Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal (up) Phys Chem Chem Phys
  Volume 23 Issue 35 Pages 19781-19789
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Molecular Spectroscopy (MolSpec)
  Abstract The added value of supervised Machine Learning (ML) methods to determine the Absolute Configuration (AC) of compounds from their Vibrational Circular Dichroism (VCD) spectra was explored. Among all ML methods considered, Random Forest (RF) and Feedforward Neural Network (FNN) yield the best performance for identification of the AC. At its best, FNN allows near-perfect AC determination, with accuracy of prediction up to 0.995, while RF combines good predictive accuracy (up to 0.940) with the ability to identify the spectral areas important for the identification of the AC. No loss in performance of either model is observed as long as the spectral sampling interval used does not exceed the spectral bandwidth. Increasing the sampling interval proves to be the best method to lower the dimensionality of the input data, thereby decreasing the computational cost associated with the training of the models.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000691366500001 Publication Date 2021-08-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.123
  Call Number UA @ admin @ c:irua:180290 Serial 7951
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Author Fredrickx, P.; Schryvers, D.; Janssens, K.
  Title Nanoscale morphology of a piece of ruby red Kunckel glass Type A1 Journal article
  Year 2002 Publication Physics and chemistry of glasses Abbreviated Journal (up) Phys Chem Glasses
  Volume 43 Issue 4 Pages 176-183
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Sheffield Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9090 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:40020 Serial 2268
Permanent link to this record
 

 
Author Lamoen, D.; March, N.H.
  Title Gradient expansion and beyond for stress tensor and tangential pressure deficit through a planar liquid-vapour interface Type A1 Journal article
  Year 2000 Publication Physics And Chemistry Of Liquids Abbreviated Journal (up) Phys Chem Liq
  Volume 38 Issue Pages 495-504
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000087986300011 Publication Date 2007-07-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.145 Times cited 1 Open Access
  Notes Approved Most recent IF: 1.145; 2000 IF: 0.267
  Call Number UA @ lucian @ c:irua:27831 Serial 1362
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Author Leys, F.E.; March, N.H.; Lamoen, D.
  Title Relativistic virial relations for both homogeneous and spatially varying electron liquids Type A1 Journal article
  Year 2004 Publication Physics And Chemistry Of Liquids Abbreviated Journal (up) Phys Chem Liq
  Volume 42 Issue Pages 423-431
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000222750800010 Publication Date 2004-07-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record;
  Impact Factor 1.145 Times cited Open Access
  Notes Approved Most recent IF: 1.145; 2004 IF: 0.478
  Call Number UA @ lucian @ c:irua:47379 Serial 2862
Permanent link to this record
 

 
Author Alonso, J.A.; López, M.J.; March, N.H.; Lamoen, D.
  Title Some properties of a model liquid of C60 buckyballs Type A1 Journal article
  Year 2002 Publication Physics And Chemistry Of Liquids Abbreviated Journal (up) Phys Chem Liq
  Volume 40 Issue Pages 457
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000178012900008 Publication Date 2004-04-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.145 Times cited 4 Open Access
  Notes Approved Most recent IF: 1.145; 2002 IF: 0.533
  Call Number UA @ lucian @ c:irua:41407 Serial 3055
Permanent link to this record
 

 
Author Matthai, C.C.; March, N.H.; Lamoen, D.
  Title Supercooled molecular liquids and the glassy phases of chemically bonded N, P, As, Si and Ge Type A1 Journal article
  Year 2009 Publication Physics and chemistry of liquids Abbreviated Journal (up) Phys Chem Liq
  Volume 47 Issue 6 Pages 607-613
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Glassy phases which have insulating character exist for a variety of monatomic species. By contrast, until recently, it has been possible to make bulk metallic glasses (BMG) by vitrification only for multicomponent systems. After a relatively brief summary on supercooling of a few molecular liquids, we review some of the recently reported results on molecular assemblies of the series N, P, As and amorphous Si and Ge. Based on these results, we suggest that the transition metals with their directional bonding might be suitable candidates for the production of BMG by vitrification.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000273047400003 Publication Date 2009-11-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.145 Times cited 1 Open Access
  Notes BoF Approved Most recent IF: 1.145; 2009 IF: 0.580
  Call Number UA @ lucian @ c:irua:80653 Serial 3376
Permanent link to this record
 

 
Author Matthai, C.C.; Lamoen, D.; March, N.H.
  Title Melting temperatures and possible precursor plastic phases of CCl4and GeI4as a function of pressure Type A1 Journal article
  Year 2016 Publication Physics and chemistry of liquids Abbreviated Journal (up) Phys Chem Liq
  Volume 54 Issue 54 Pages 130-134
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The motivation for the present study is to be found in the recent experiments of Fuchizaki and Hamaya on GeI4. They observed a rapid increase in the melting temperature Tm in going from atmospheric pressure to p ~ 2.6 GPa. Tm was found to be largely independent of pressure above this value. In this paper, heuristic arguments are presented to support the idea that until some critical pressure, a crystalline phase of SnI4, CCl4 and GeI4 molecular solids melts into a low density liquid. However, at this critical pressure, a phase boundary intersects Tm(p), separating a low density liquid phase from a high density liquid. The new phase boundary is between the crystal and an amorphous molecular solid with increasing polymerisation as the pressure is increased.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000365724100012 Publication Date 2015-07-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104 ISBN Additional Links UA library record; WoS full record
  Impact Factor 1.145 Times cited Open Access
  Notes NHM wishes to thank Professors D. Lamoen and C. Van Alsenoy for making possible the continuing affiliation of Approved Most recent IF: 1.145
  Call Number c:irua:130190 Serial 4029
Permanent link to this record
 

 
Author Lemmens, H.; Czank, M.; Van Tendeloo, G.; Amelinckx, S.
  Title Defect structure of the low temperature α-cristobalite phase and the cristobalite <-> tridymite transformation in (Si-Ge)O2 Type A1 Journal article
  Year 2000 Publication Physics and chemistry of minerals Abbreviated Journal (up) Phys Chem Miner
  Volume 27 Issue 6 Pages 386-397
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Berlin Editor
  Language Wos 000087959700004 Publication Date 2002-10-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0342-1791;1432-2021; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.521 Times cited 5 Open Access
  Notes Approved Most recent IF: 1.521; 2000 IF: 1.513
  Call Number UA @ lucian @ c:irua:54725 Serial 622
Permanent link to this record
 

 
Author van Heurck, C.; Van Tendeloo, G.; Amelinckx, S.
  Title The modulated structure in the melilite CA2ZnGe2O7 Type A1 Journal article
  Year 1992 Publication Physics and chemistry of minerals Abbreviated Journal (up) Phys Chem Miner
  Volume 8 Issue Pages 441-452
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Berlin Editor
  Language Wos A1992HM23200005 Publication Date 2004-08-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0342-1791;1432-2021; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.538 Times cited 19 Open Access
  Notes Approved CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #
  Call Number UA @ lucian @ c:irua:4438 Serial 2164
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Author Petrishcheva, E.; Tiede, L.; Schweinar, K.; Habler, G.; Li, C.; Gault, B.; Abart, R.
  Title Spinodal decomposition in alkali feldspar studied by atom probe tomography Type A1 Journal article
  Year 2020 Publication Physics And Chemistry Of Minerals Abbreviated Journal (up) Phys Chem Miner
  Volume 47 Issue 7 Pages Unsp 30
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We used atom probe tomography to complement electron microscopy for the investigation of spinodal decomposition in alkali feldspar. To this end, gem-quality alkali feldspar of intermediate composition with a mole fraction of a(K) = 0.43 of the K end-member was prepared from Madagascar orthoclase by ion-exchange with (NaK)Cl molten salt. During subsequent annealing at 550 degrees C and close to ambient pressure the ion-exchanged orthoclase unmixed producing a coherent lamellar intergrowth of Na-rich and K-rich lamellae. The chemical separation was completed, and equilibrium Na-K partitioning between the different lamellae was attained within four days, which was followed by microstructural coarsening. After annealing for 4 days, the wavelength of the lamellar microstructure was approximate to 17 nm and it increased to approximate to 30 nm after annealing for 16 days. The observed equilibrium compositions of the Na-rich and K-rich lamellae are in reasonable agreement with an earlier experimental determination of the coherent solvus. The excess energy associated with compositional gradients at the lamellar interfaces was quantified from the initial wavelength of the lamellar microstructure and the lamellar compositions as obtained from atom probe tomography using the Cahn-Hilliard theory. The capability of atom probe tomography to deliver quantitative chemical compositions at nm resolution opens new perspectives for studying the early stages of exsolution. In particular, it helps to shed light on the phase relations in nm scaled coherent intergrowth.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000540150400001 Publication Date 2020-06-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0342-1791 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.4 Times cited Open Access OpenAccess
  Notes ; Open access funding provided by Austrian Science Fund (FWF). This project was funded by the FWF Project P28238-N29. KS acknowledges IMPRS-SurMat for funding. Uwe Tezins, Andreas Sturm and Christian Bross are acknowledged for their support at the FIB & APT facilities at MPIE. We gratefully acknowledge the thorough and constructive reviews by Herbert Kroll and Luis Sanchez Munoz, who substantially contributed to improving an earlier version of the manuscript. ; Approved Most recent IF: 1.4; 2020 IF: 1.521
  Call Number UA @ admin @ c:irua:170208 Serial 6611
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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 (up) 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
  Corporate Author Thesis
  Publisher Place of Publication Woodbury, N.Y. Editor
  Language Wos 000337103900002 Publication Date 2014-05-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue 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 Approved Most recent IF: 2.232; 2014 IF: 2.031
  Call Number UA @ lucian @ c:irua:118385 Serial 684
Permanent link to this record
 

 
Author Shanenko, A.A.; Ivanov, V.A.
  Title Effects of confining interaction in meso-superconductors Type A1 Journal article
  Year 2004 Publication Physics letters : A Abbreviated Journal (up) Phys Lett A
  Volume 322 Issue 5-6 Pages 384-389
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract This Letter presents a generalized Ginzburg-Landau equation for the superconducting order parameter which includes the terms resulting from the confining interaction associated with the specimen boundary. While the original Ginzburg-Landau theory had been developed for a bulk superconductor, this generalization is meant for study of a meso-superconductor. (C) 2004 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000220123600018 Publication Date 2004-02-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0375-9601; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.772 Times cited 1 Open Access
  Notes Approved Most recent IF: 1.772; 2004 IF: 1.454
  Call Number UA @ lucian @ c:irua:103244 Serial 859
Permanent link to this record
 

 
Author Sels, D.; Brosens, F.; Magnus, W.
  Title On the path integral representation of the Wigner function and the BarkerMurray ansatz Type A1 Journal article
  Year 2012 Publication Physics letters : A Abbreviated Journal (up) Phys Lett A
  Volume 376 Issue 6/7 Pages 809-812
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
  Abstract The propagator of the Wigner function is constructed from the WignerLiouville equation as a phase space path integral over a new effective Lagrangian. In contrast to a paper by Barker and Murray (1983) [1], we show that the path integral can in general not be written as a linear superposition of classical phase space trajectories over a family of non-local forces. Instead, we adopt a saddle point expansion to show that the semiclassical Wigner function is a linear superposition of classical solutions for a different set of non-local time dependent forces. As shown by a simple example the specific form of the path integral makes the formulation ideal for Monte Carlo simulation.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000301167300005 Publication Date 2012-01-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0375-9601; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.772 Times cited 7 Open Access
  Notes ; ; Approved Most recent IF: 1.772; 2012 IF: 1.766
  Call Number UA @ lucian @ c:irua:94006 Serial 2445
Permanent link to this record
 

 
Author Lamoen, D.; March, N.H.
  Title Orientational disorder in some molecular solids in relation to the boson peak in glasses Type A1 Journal article
  Year 2009 Publication Physics letters : A Abbreviated Journal (up) Phys Lett A
  Volume 373 Issue 7 Pages 799-800
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Orientational disorder in some molecular solids is discussed in relation to the emphasis placed on transverse vibrational modes in glasses as the origin of the observed boson peak in two very recent contributions in Nature Materials. In particular, facts are here presented for (i) CH4, (ii) C60 and (iii) ethanol in their solid phases for (a) specific heat and (b) neutron scattering. The results for ethanol in particular do not fit in with the interpretation of the boson peak in terms of transverse acoustic phonons in disordered systems. Glasses will therefore have to be separated into at least two classes where the physical interpretation of the boson peak is concerned.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000263515500020 Publication Date 2009-01-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0375-9601; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.772 Times cited 3 Open Access
  Notes Bof Approved Most recent IF: 1.772; 2009 IF: 2.009
  Call Number UA @ lucian @ c:irua:72917 Serial 2516
Permanent link to this record
 

 
Author Rouaiguia, L.; Djebli, M.; Peeters, F.
  Title Random charge fluctuation effect on strongly correlated dust particles confined in two dimensions Type A1 Journal article
  Year 2008 Publication Physics letters : A Abbreviated Journal (up) Phys Lett A
  Volume 372 Issue 24 Pages 4487-4492
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000257203700030 Publication Date 2008-04-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0375-9601; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.772 Times cited 4 Open Access
  Notes Approved Most recent IF: 1.772; 2008 IF: 2.174
  Call Number UA @ lucian @ c:irua:69627 Serial 2809
Permanent link to this record
 

 
Author Kukhlevsky, S.V.; Mechler, M.; Csapo, L.; Janssens, K.
  Title Near-field diffraction of fs and sub-fs pulses: super resolution of NSOM in space and time Type A1 Journal article
  Year 2003 Publication Physics letters : A Abbreviated Journal (up) Phys Lett A
  Volume 319 Issue Pages 439-447
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000187351800003 Publication Date 2003-11-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0375-9601 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.772 Times cited 10 Open Access
  Notes Approved Most recent IF: 1.772; 2003 IF: 1.324
  Call Number UA @ admin @ c:irua:42959 Serial 5744
Permanent link to this record
 

 
Author Zhang, Y.-R.; Xu, X.; Zhao, S.-X.; Bogaerts, A.; Wang, Y.-N.
  Title Comparison of electrostatic and electromagnetic simulations for very high frequency plasmas Type A1 Journal article
  Year 2010 Publication Physics of plasmas Abbreviated Journal (up) Phys Plasmas
  Volume 17 Issue 11 Pages 113512-113512,11
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract A two-dimensional self-consistent fluid model combined with the full set of Maxwell equations is developed to investigate an argon capacitively coupled plasma, focusing on the electromagnetic effects on the discharge characteristics at various discharge conditions. The results indicate that there exist distinct differences in plasma characteristics calculated with the so-called electrostatic model (i.e., without taking into account the electromagnetic effects) and the electromagnetic model (which includes the electromagnetic effects), especially at very high frequencies. Indeed, when the excitation source is in the high frequency regime and the electromagnetic effects are taken into account, the plasma density increases significantly and meanwhile the ionization rate evolves to a very different distribution when the electromagnetic effects are dominant. Furthermore, the dependence of the plasma characteristics on the voltage and pressure is also investigated, at constant frequency. It is observed that when the voltage is low, the difference between these two models becomes more obvious than at higher voltages. As the pressure increases, the plasma density profiles obtained from the electromagnetic model smoothly shift from edge-peaked over uniform to a broad maximum in the center. In addition, the edge effect becomes less pronounced with increasing frequency and pressure, and the skin effect rather than the standing-wave effect becomes dominant when the voltage is high.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Woodbury, N.Y. Editor
  Language Wos 000285486500105 Publication Date 2010-11-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.115 Times cited 30 Open Access
  Notes Approved Most recent IF: 2.115; 2010 IF: 2.320
  Call Number UA @ lucian @ c:irua:84763 Serial 429
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Author Tkachenko, D.V.; Sheridan, T.E.; Misko, V.R.
  Title Dispersion relations for circular single and double dusty plasma chains Type A1 Journal article
  Year 2011 Publication Physics of plasmas Abbreviated Journal (up) Phys Plasmas
  Volume 18 Issue 10 Pages 103709,1-103709,10
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We derive dispersion relations for a system of identical particles confined in a two-dimensional annular harmonic well and which interact through a Yukawa potential, e.g., a dusty plasma ring. When the particles are in a single chain (i.e., a one-dimensional ring), we find a longitudinal acoustic mode and a transverse optical mode which show approximate agreement with the dispersion relation for a straight configuration for large radii of the ring. When the radius decreases, the dispersion relations modify: there appears an anticrossing of the modes near the crossing point resulting in a frequency gap between the lower and upper branches of the modified dispersion relations. For the double chain (i.e., a two-dimensional zigzag configuration), the dispersion relation has four branches: longitudinal acoustic and optical and transverse acoustic and optical.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Woodbury, N.Y. Editor
  Language Wos 000296529600090 Publication Date 2011-10-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.115 Times cited 7 Open Access
  Notes ; We acknowledge fruitful discussions with F.M. Peeters, A. Matulis, and W.P. Ferreira. This work was supported by the “Odysseus” program of the Flemish Government and FWO-Vl. ; Approved Most recent IF: 2.115; 2011 IF: 2.147
  Call Number UA @ lucian @ c:irua:94052 Serial 738
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Author Yu, M.Y.; Yu, W.; Chen, Z.Y.; Zhang, J.; Yin, Y.; Cao, L.H.; Lu, P.X.; Xu, Z.Z.
  Title Electron acceleration by an intense short-pulse laser in underdense plasma Type A1 Journal article
  Year 2003 Publication Physics of plasmas Abbreviated Journal (up) Phys Plasmas
  Volume 10 Issue 6 Pages 2468-2474
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Electron acceleration from the interaction of an intense short-pulse laser with low density plasma is considered. The relation between direct electron acceleration within the laser pulse and that in the wake is investigated analytically. The magnitude and location of the ponderomotive-force-caused charge separation field with respect to that of the pulse determine the relative effectiveness of the two acceleration mechanisms. It is shown that there is an optimum condition for acceleration in the wake. Electron acceleration within the pulse dominates as the pulse becomes sufficiently short, and the latter directly drives and even traps the electrons. The latter can reach ultrahigh energies and can be extracted by impinging the pulse on a solid target. (C) 2003 American Institute of Physics.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Woodbury, N.Y. Editor
  Language Wos 000183316500031 Publication Date 2003-05-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.115 Times cited 41 Open Access
  Notes Approved Most recent IF: 2.115; 2003 IF: 2.146
  Call Number UA @ lucian @ c:irua:103293 Serial 904
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Author Vranjes, J.; Petrovic, D.; Pandey, B.P.; Poedts, S.
  Title Electrostatic modes in multi-ion and pair-ion collisional plasmas Type A1 Journal article
  Year 2008 Publication Physics of plasmas Abbreviated Journal (up) Phys Plasmas
  Volume 15 Issue 7 Pages 072104
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The physics of plasmas containing positive and negative ions is discussed with special attention to the recently produced pair-ion plasma containing ions of equal mass and opposite charge. The effects of the density gradient in the direction perpendicular to the ambient magnetic field vector are discussed. The possible presence of electrons is discussed in the context of plasma modes propagating at an angle with respect to the magnetic field vector. It is shown that the electron plasma mode may become a backward mode in the presence of a density gradient, and this behavior may be controlled either by the electron number density or the mode number in the perpendicular direction. In plasmas with hot electrons an instability may develop, driven by the combination of electron collisions and the density gradient, and in the regime of a sound ions' response. In the case of a pure pair-ion plasma, for lower frequencies and for parameters close to those used in the recent experiments, the perturbed ions may feel the effects of the magnetic field. In this case the plasma mode also becomes backward, resembling features of an experimentally observed but yet unexplained backward mode. (C) 2008 American Institute of Physics.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Woodbury, N.Y. Editor
  Language Wos 000258175800004 Publication Date 2008-07-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.115 Times cited 54 Open Access
  Notes Approved Most recent IF: 2.115; 2008 IF: 2.427
  Call Number UA @ lucian @ c:irua:103554 Serial 1023
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Author Si, X.-J.; Zhao, S.-X.; Xu, X.; Bogaerts, A.; Wang, Y.-N.
  Title Fluid simulations of frequency effects on nonlinear harmonics in inductively coupled plasma Type A1 Journal article
  Year 2011 Publication Physics of plasmas Abbreviated Journal (up) Phys Plasmas
  Volume 18 Issue 3 Pages 033504-033504,9
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract A fluid model is self-consistently established to investigate the harmonic effects in an inductively coupled plasma, where the electromagnetic field is solved by the finite difference time domain technique. The spatiotemporal distribution of harmonic current density, harmonic potential, and other plasma quantities, such as radio frequency power deposition, plasma density, and electron temperature, have been investigated. Distinct differences in current density have been observed when calculated with and without Lorentz force, which indicates that the nonlinear Lorentz force plays an important role in the harmonic effects, especially at low frequencies. Moreover, the even harmonics are larger than the odd harmonics both in the current density and the potential. Finally, the dependence of various plasma quantities with and without the Lorentz force on various driving frequencies is also examined. It is shown that the deposited power density decreases and the depth of penetration increases slightly because of the Lorentz force. The electron density increases distinctly while the electron temperature remains almost the same when the Lorentz force is taken into account.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Woodbury, N.Y. Editor
  Language Wos 000289151900073 Publication Date 2011-03-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.115 Times cited 7 Open Access
  Notes Approved Most recent IF: 2.115; 2011 IF: 2.147
  Call Number UA @ lucian @ c:irua:87876 Serial 1233
Permanent link to this record
 

 
Author Schweigert, I.V.; Schweigert, V.A.; Peeters, F.M.
  Title Perturbation of collisional plasma flow around a charged dust particle: kinetic analysis Type A1 Journal article
  Year 2005 Publication Physics of plasmas Abbreviated Journal (up) Phys Plasmas
  Volume 12 Issue 11 Pages 113501,1-9
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Woodbury, N.Y. Editor
  Language Wos 000233569600046 Publication Date 2005-11-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.115 Times cited 15 Open Access
  Notes Approved Most recent IF: 2.115; 2005 IF: 2.182
  Call Number UA @ lucian @ c:irua:56048 Serial 2575
Permanent link to this record
 

 
Author Cai, H.-bo; Yu, W.; Zhu, S.-ping; Zheng, C.-yang; Cao, L.-hua; Li, B.; Chen, Z.Y.; Bogaerts, A.
  Title Short-pulse laser absorption in very steep plasma density gradients Type A1 Journal article
  Year 2006 Publication Physics of plasmas Abbreviated Journal (up) Phys Plasmas
  Volume 13 Issue Pages 094504,1-4
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Woodbury, N.Y. Editor
  Language Wos 000240877800057 Publication Date 2006-09-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.115 Times cited 17 Open Access
  Notes Approved Most recent IF: 2.115; 2006 IF: 2.258
  Call Number UA @ lucian @ c:irua:59375 Serial 2995
Permanent link to this record
 

 
Author Liu, Y.H.; Chen, Z.Y.; Huang, F.; Yu, M.Y.; Wang, L.; Bogaerts, A.
  Title Simulation of disk- and band-like voids in dusty plasma systems Type A1 Journal article
  Year 2006 Publication Physics of plasmas Abbreviated Journal (up) Phys Plasmas
  Volume 13 Issue Pages 052110,1-6
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Woodbury, N.Y. Editor
  Language Wos 000237943000011 Publication Date 2006-05-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.115 Times cited 20 Open Access
  Notes Approved Most recent IF: 2.115; 2006 IF: 2.258
  Call Number UA @ lucian @ c:irua:57858 Serial 3011
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