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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
Permanent link to this record
 
 
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
Permanent link to this record
 
 
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
Permanent link to this record
 
 
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
Permanent link to this record
 
 
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
Permanent link to this record
 
 
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
Permanent link to this record
 
 
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
Permanent link to this record
 
 
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
Permanent link to this record
 
 
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
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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
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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
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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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Author Sun, J.-Y.; Wen, D.-Q.; Zhang, Q.-Z.; Liu, Y.-X.; Wang, Y.-N.
Title The effects of electron surface interactions in geometrically symmetric capacitive RF plasmas in the presence of different electrode surface materials Type A1 Journal article
Year 2019 Publication Physics of plasmas Abbreviated Journal (up) Phys Plasmas
Volume 26 Issue 6 Pages 063505
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Particle-in-cell/Monte Carlo collision (PIC/MCC) simulations are performed to investigate the asymmetric secondary electron emission (SEE) effects when electrons strike two different material electrodes in low pressure capacitively coupled plasmas (CCPs). To describe the electron-surface interactions, a realistic model, considering the primary electron impact energy and angle, as well as the corresponding surface property-dependent secondary electron yields, is employed in PIC/MCC simulations. In this model, three kinds of electrons emitted from the surface are considered: (i) elastically reflected electrons, (ii) inelastically backscattered electrons, and (iii) electron induced secondary electrons (SEs, i.e., delta-electrons). Here, we examined the effects of electron-surface interactions on the ionization dynamics and plasma characteristics of an argon discharge. The discharge is driven by a voltage source of 13.56MHz with amplitudes in the range of 200-2000V. The grounded electrode material is copper (Cu) for all cases, while the powered electrode material is either Cu or silicon dioxide (SiO2). The simulations reveal that the electron impact-induced SEE is an essential process at low pressures, especially at high voltages. Different electrode materials result in an asymmetric response of SEE. Depending on the instantaneous local sheath potential and the phase of the SEE, these SEs either are reflected by the opposite sheath or strike the electrode surface, where they can induce delta-electrons upon their residual energies. It is shown that highly energetic delta-electrons contribute significantly to the ionization rate and a self-bias forms when the powered electrode material is assumed to be made of SiO2. Complex dynamics is observed due to the multiple electron-surface interaction processes and asymmetric yields of SEs in CCPs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000474440600043 Publication Date 2019-06-06
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 1 Open Access
Notes Approved Most recent IF: 2.115
Call Number UA @ admin @ c:irua:161353 Serial 6327
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Author Liang, Y.-S.; Xue, C.; Zhang, Y.-R.; Wang, Y.-N.
Title Investigation of active species in low-pressure capacitively coupled N-2/Ar plasmas Type A1 Journal article
Year 2021 Publication Physics Of Plasmas Abbreviated Journal (up) Phys Plasmas
Volume 28 Issue 1 Pages 013510
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, a self-consistent fluid model is developed focusing on the plasma parameters in capacitively coupled 20% N 2-80% Ar discharges. Measurements of ion density are performed with the help of a floating double probe, and the emission intensities from Ar(4p) and N 2 ( B ) transitions are detected by an optical emission spectroscopy to estimate their relative densities. The consistency between the numerical and experimental results confirms the reliability of the simulation. Then the plasma characteristics, specifically the reaction mechanisms of active species, are analyzed under various voltages. The increasing voltage leads to a monotonous increase in species density, whereas a less homogeneous radial distribution is observed at a higher voltage. Due to the high concentration of Ar gas, Ar + becomes the main ion, followed by the N 2 +</mml:msubsup> ion. Besides the electron impact ionization of neutrals, the charge transfer processes of Ar +/ N 2 and N 2 +</mml:msubsup>/Ar are found to have an impact on the ionic species. The results indicate that adopting the lower charge transfer reaction rate coefficients weakens the Ar + ion density and yields a higher N 2 +</mml:msubsup> ion density. However, the effect on the species spatial distributions and other species densities is limited. As for the excited-state species, the electron impact excitation of background gases remains overwhelming in the formation of Ar(4p), N 2 ( B ), and N 2 ( a ' ), whereas the <mml:msub> N 2 ( A ) molecules are mainly formed by the decay of <mml:msub> N 2 ( B ). In addition, the dissociation of <mml:msub> N 2 collided by excited-state Ar atoms dominates the N generation, which are mostly depleted to produce N + ions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000629931300002 Publication Date 2021-01-22
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 Open Access Not_Open_Access
Notes Approved Most recent IF: 2.115
Call Number UA @ admin @ c:irua:177669 Serial 6767
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