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Author Chen, Z.; Bogaerts, A.
Title Response to “Comment on 'Laser ablation of Cu and plume expansion into 1 atm ambient gas'” [J. Appl. Phys. 115, 166101 (2014)] Type Editorial
Year 2014 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 115 Issue 16 Pages 166102
Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000335228400092 Publication Date 2014-05-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited 1 Open Access
Notes Approved Most recent IF: 2.068; 2014 IF: 2.183
Call Number UA @ lucian @ c:irua:117171 Serial 2898
Permanent link to this record
 
 
Author Autrique, D.; Clair, G.; L'Hermite, D.; Alexiades, V.; Bogaerts, A.; Rethfeld, B.
Title The role of mass removal mechanisms in the onset of ns-laser induced plasma formation Type A1 Journal article
Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 114 Issue 2 Pages 023301-23310
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The present study focuses on the role of mass removal mechanisms in ns-laser ablation. A copper sample is placed in argon, initially set at standard pressure and temperature. Calculations are performed for a 6 ns laser pulse with a wavelength of 532 nm and laser fluences up to 10 J/cm2. The transient behavior in and above the copper target is described by a hydrodynamic model. Transmission profiles and ablation depths are compared with experimental results and similar trends are found. Our calculations reveal an interesting self-inhibiting mechanism: volumetric mass removal in the supercritical region triggers plasma shielding and therefore stops proceeding. This self-limiting process indicates that volumetric mass removal does not necessarily result in large ablation depths.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000321761600006 Publication Date 2013-07-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited 31 Open Access
Notes Approved Most recent IF: 2.068; 2013 IF: 2.185
Call Number UA @ lucian @ c:irua:109237 Serial 2915
Permanent link to this record
 
 
Author Bogaerts, A.; Gijbels, R.
Title Role of Ar2+ and Ar+2 ions in a direct current argon glow discharge: a numerical description Type A1 Journal article
Year 1999 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 86 Issue 8 Pages 4124-4133
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000082840300009 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited 50 Open Access
Notes Approved Most recent IF: 2.068; 1999 IF: 2.275
Call Number UA @ lucian @ c:irua:28322 Serial 2923
Permanent link to this record
 
 
Author Baguer, N.; Bogaerts, A.; Gijbels, R.
Title Role of the fast Ar atoms, Ar+ ions and metastable Ar atoms in a hollow cathode glow discharge: study by a hybrid model Type A1 Journal article
Year 2003 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 94 Issue Pages 2212-2222
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000184469800011 Publication Date 2003-08-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited 19 Open Access
Notes Approved Most recent IF: 2.068; 2003 IF: 2.171
Call Number UA @ lucian @ c:irua:44013 Serial 2926
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Author Depla, D.; Li, X.Y.; Mahieu, S.; van Aeken, K.; Leroy, W.P.; Haemers, J.; de Gryse, R.; Bogaerts, A.
Title Rotating cylindrical magnetron sputtering: simulation of the reactive process Type A1 Journal article
Year 2010 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 107 Issue 11 Pages 113307,1-113307,9
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A rotating cylindrical magnetron consists of a cylindrical tube, functioning as the cathode, which rotates around a stationary magnet assembly. In stationary mode, the cylindrical magnetron behaves similar to a planar magnetron with respect to the influence of reactive gas addition to the plasma. However, the transition from metallic mode to poisoned mode and vice versa depends on the rotation speed. An existing model has been modified to simulate the influence of target rotation on the well known hysteresis behavior during reactive magnetron sputtering. The model shows that the existing poisoning mechanisms, i.e., chemisorption, direct reactive ion implantation and knock on implantation, are insufficient to describe the poisoning behavior of the rotating target. A better description of the process is only possible by including the deposition of sputtered material on the target.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000278907100020 Publication Date 2010-06-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited 15 Open Access
Notes Approved Most recent IF: 2.068; 2010 IF: 2.079
Call Number UA @ lucian @ c:irua:82631 Serial 2930
Permanent link to this record
 
 
Author Wendelen, W.; Mueller, B.Y.; Autrique, D.; Rethfeld, B.; Bogaerts, A.
Title Space charge corrected electron emission from an aluminum surface under non-equilibrium conditions Type A1 Journal article
Year 2012 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 111 Issue 11 Pages 113110
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A theoretical study has been conducted of ultrashort pulsed laser induced electron emission from an aluminum surface. Electron emission fluxes retrieved from the commonly employed Fowler-DuBridge theory were compared to fluxes based on a laser-induced non-equilibrium electron distribution. As a result, the two-and three-photon photoelectron emission parameters for the Fowler-DuBridge theory have been approximated. We observe that at regimes where photoemission is important, laser-induced electron emission evolves in a more smooth manner than predicted by the Fowler-DuBridge theory. The importance of the actual electron distribution decreases at higher laser fluences, whereas the contribution of thermionic emission increases. Furthermore, the influence of a space charge effect on electron emission was evaluated by a one dimensional particle-in-cell model. Depending on the fluences, the space charge reduces the electron emission by several orders of magnitude. The influence of the electron emission flux profiles on the effective electron emission was found to be negligible. However, a non-equilibrium electron velocity distribution increases the effective electron emission significantly. Our results show that it is essential to consider the non-equilibrium electron distribution as well as the space charge effect for the description of laser-induced photoemission. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729071]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000305401400043 Publication Date 2012-06-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited 30 Open Access
Notes Approved Most recent IF: 2.068; 2012 IF: 2.210
Call Number UA @ lucian @ c:irua:100300 Serial 3057
Permanent link to this record
 
 
Author Yan, M.; Bogaerts, A.; Gijbels, R.; Goedheer, W.J.
Title Spatial behavior of energy relaxation of electrons in capacitively coupled discharges: comparison between Ar and SiH4 Type A1 Journal article
Year 2000 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 87 Issue 8 Pages 3628-3636
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000086169500003 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited 14 Open Access
Notes Approved Most recent IF: 2.068; 2000 IF: 2.180
Call Number UA @ lucian @ c:irua:34074 Serial 3061
Permanent link to this record
 
 
Author Baguer, N.; Bogaerts, A.; Gijbels, R.
Title Study of a hollow cathode glow discharge in He: Monte Carlo-fluid model combined with a transport model for the metastable atoms Type A1 Journal article
Year 2003 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 93 Issue Pages 47-55
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000180002500009 Publication Date 2002-12-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited 24 Open Access
Notes Approved Most recent IF: 2.068; 2003 IF: 2.171
Call Number UA @ lucian @ c:irua:44010 Serial 3324
Permanent link to this record
 
 
Author Baguer, N.; Bogaerts, A.; Donko, Z.; Gijbels, R.; Sadeghi, N.
Title Study of the Ar metastable atom population in a hollow cathode discharge by means of a hybrid model and spectrometric measurements Type A1 Journal article
Year 2005 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 97 Issue Pages 123305,1-12
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000230278100014 Publication Date 2005-06-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited 40 Open Access
Notes Approved Most recent IF: 2.068; 2005 IF: 2.498
Call Number UA @ lucian @ c:irua:53102 Serial 3334
Permanent link to this record
 
 
Author Baguer, N.; Bogaerts, A.
Title Study of the sputtered Cu atoms and Cu+ ions in a hollow cathode glow discharge using a hybrid model Type A1 Journal article
Year 2005 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 98 Issue 3 Pages 033303,1-033303,11
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The role of the Cu atoms sputtered from the cathode material in a cylindrical hollow cathode discharge (HCD) and the corresponding Cu+ ions are studied with a self-consistent model based on the principle of Monte Carlo (MC) and fluid simulations. In order to obtain a more realistic view of the discharge processes, this model is coupled with other submodels, which describe the behavior of electrons, fast Ar atoms, Ar+ ions, and Ar metastable atoms, also based on the principles of MC and fluid simulations. Typical results are, among others, the thermalization profile of the Cu atoms, the fast Cu atom, the thermal Cu atom and Cu+ ion fluxes and densities, and the energy distribution of the Cu+ ions. It was found that the contribution of the Ar+ ions to the sputtering was the most significant, followed by the fast Ar atoms. At the cathode bottom, there was no net sputtered flux but a net amount of redeposition. Throughout the discharge volume, at all the conditions investigated, the largest concentration of Cu atoms was found in the lower half of the HCD, close to the bottom. Penning ionization was found the main ionization mechanism for the Cu atoms. The ionization degree of copper atoms was found to be in the same order as for the argon atoms (10-4). (c) 2005 American Institute of Physics.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000231246100007 Publication Date 2005-08-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited 18 Open Access
Notes Approved Most recent IF: 2.068; 2005 IF: 2.498
Call Number UA @ lucian @ c:irua:54597 Serial 3340
Permanent link to this record
 
 
Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M.
Title Unraveling the deposition mechanism in a-C:H thin-film growth: a molecular-dynamics study for the reaction behavior of C3 and C3H radicals with a-C:H surfaces Type A1 Journal article
Year 2006 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 99 Issue 1 Pages 014902,1-8
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000234607200071 Publication Date 2006-01-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited 25 Open Access
Notes Approved Most recent IF: 2.068; 2006 IF: 2.316
Call Number UA @ lucian @ c:irua:55831 Serial 3815
Permanent link to this record
 
 
Author Vanraes, P.; Bogaerts, A.
Title The essential role of the plasma sheath in plasma–liquid interaction and its applications—A perspective Type A1 Journal Article
Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 129 Issue 22 Pages 220901
Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Based on the current knowledge, a plasma–liquid interface looks and behaves very differently from its counterpart at a solid surface. Local processes characteristic to most liquids include a stronger evaporation, surface deformations, droplet ejection, possibly distinct mechanisms behind secondary electron emission, the formation of an electric double layer, and an ion drift-mediated liquid resistivity. All of them can strongly influence the interfacial charge distribution. Accordingly, the plasma sheath at a liquid surface is most likely unique in its own way, both with respect to its structure and behavior. However, insights into these properties are still rather scarce or uncertain, and more studies are required to further disclose them. In this Perspective, we argue why more research on the plasma sheath is not only recommended but also crucial to an accurate understanding of the plasma–liquid interaction. First, we analyze how the sheath regulates various elementary processes at the plasma–liquid interface, in terms of the electrical coupling, the bidirectional mass transport, and the chemistry between plasma and liquid phase. Next, these three regulatory functions of the sheath are illustrated for concrete applications. Regarding the electrical coupling, a great deal of attention is paid to the penetration of fields into biological systems due to their relevance for plasma medicine, plasma agriculture, and food processing. Furthermore, we illuminate the role of the sheath in nuclear fusion, nanomaterial synthesis, and chemical applications. As such, we hope to motivate the plasma community for more fundamental research on plasma sheaths at liquid surfaces.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000681700000013 Publication Date 2021-06-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 2.068 Times cited Open Access OpenAccess
Notes P.V. thanks Dr. Angela Privat Maldonado (University of Antwerp) for the fruitful discussions on Sec. III and Professor Mark J. Kushner (University of Michigan) for the interesting discussion on Ref. 198. Approved Most recent IF: 2.068
Call Number PLASMANT @ plasmant @c:irua:178814 Serial 6794
Permanent link to this record
 
 
Author Bruggeman, P.J.; Bogaerts, A.; Pouvesle, J.M.; Robert, E.; Szili, E.J.
Title Plasma–liquid interactions Type A1 Journal Article
Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 130 Issue 20 Pages 200401
Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2021-11-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979 ISBN Additional Links UA library record
Impact Factor (down) 2.068 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.068
Call Number PLASMANT @ plasmant @c:irua:184245 Serial 6830
Permanent link to this record
 
 
Author Neyts, E.C.; Bogaerts, A.
Title Combining molecular dynamics with Monte Carlo simulations : implementations and applications Type A1 Journal article
Year 2013 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume 132 Issue 2 Pages 1320-12
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000318294700010 Publication Date 2012-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.89 Times cited 27 Open Access
Notes Approved Most recent IF: 1.89; 2013 IF: 2.143
Call Number UA @ lucian @ c:irua:104725 Serial 404
Permanent link to this record
 
 
Author Jehanathan, N.; Georgieva, V.; Saraiva, M.; Depla, D.; Bogaerts, A.; Van Tendeloo, G.
Title The influence of Cr and Y on the micro structural evolution of Mg―Cr―O and Mg―Y―O thin films Type A1 Journal article
Year 2011 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 519 Issue 16 Pages 5388-5396
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT)
Abstract The compositional influence of Cr and Y on the microstructure of Mg―Cr―O, and Mg―Y―O films synthesized by reactive magnetron sputtering has been investigated by transmission electron microscopy, X-ray diffraction and molecular dynamics simulations. A decrease in crystallinity is observed in these films as the M (Cr or Y) content is increased. It is found that M forms a solid solution with MgO for metal ratios up to ~ 70% and ~ 50% for Cr and Y respectively. Above ~ 70% Cr metal ratio the Mg―Cr―O films are found to be completely amorphous. The Mg―Y―O films are composed of Mg(Y)O and Y2O3 nano crystallites, up to ~ 50% Y metal ratio. Above this ratio, only Y2O3 nano crystallites are found. The preferential < 111> MgO grain alignment is strongly affected by the increase in M content. For M metal ratios up to ~ 50%, there is a selective promotion of the < 100> MgO grain alignments and a decline in the < 111> grain alignments.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000292573500013 Publication Date 2011-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.879 Times cited 4 Open Access
Notes Iwt Approved Most recent IF: 1.879; 2011 IF: 1.890
Call Number UA @ lucian @ c:irua:89516 Serial 1618
Permanent link to this record
 
 
Author Samani, M.K.; Ding, X.Z.; Khosravian, N.; Amin-Ahmadi, B.; Yi, Y.; Chen, G.; Neyts, E.C.; Bogaerts, A.; Tay, B.K.
Title Thermal conductivity of titanium nitride/titanium aluminum nitride multilayer coatings deposited by lateral rotating cathode arc Type A1 Journal article
Year 2015 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 578 Issue 578 Pages 133-138
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A seriesof [TiN/TiAlN]nmultilayer coatingswith different bilayer numbers n=5, 10, 25, 50, and 100 were deposited on stainless steel substrate AISI 304 by a lateral rotating cathode arc technique in a flowing nitrogen atmosphere. The composition and microstructure of the coatings have been analyzed by using energy dispersive X-ray spectroscopy, X-ray diffraction (XRD), and conventional and high-resolution transmission electron microscopy (HRTEM). XRD analysis shows that the preferential orientation growth along the (111) direction is reduced in the multilayer coatings. TEM analysis reveals that the grain size of the coatings decreases with increasing bilayer number. HRTEMimaging of the multilayer coatings shows a high density misfit dislocation between the TiN and TiAlN layers. The cross-plane thermal conductivity of the coatings was measured by a pulsed photothermal reflectance technique. With increasing bilayer number, the multilayer coatings' thermal conductivity decreases gradually. This reduction of thermal conductivity can be ascribed to increased phonon scattering due to the disruption of columnar structure, reduced preferential orientation, decreased grain size of the coatings and present misfit dislocations at the interfaces.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000351686500019 Publication Date 2015-02-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.879 Times cited 41 Open Access
Notes Approved Most recent IF: 1.879; 2015 IF: 1.759
Call Number c:irua:125517 Serial 3626
Permanent link to this record
 
 
Author Oliveira, M.C.; Yusupov, M.; Cordeiro, R.M.; Bogaerts, A.
Title Unraveling the permeation of reactive species across nitrated membranes by computer simulations Type A1 Journal Article;Reactive oxygen and nitrogen species
Year 2021 Publication Computers In Biology And Medicine Abbreviated Journal Comput Biol Med
Volume 136 Issue Pages 104768
Keywords A1 Journal Article;Reactive oxygen and nitrogen species; Nitro-oxidative stress; Molecular dynamics simulations; Nitrated membranes; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Reactive oxygen and nitrogen species (RONS) are involved in many biochemical processes, including nitrooxidative stress that causes cancer cell death, observed in cancer therapies such as photodynamic therapy and cold atmospheric plasma. However, their mechanisms of action and selectivity still remain elusive due to the complexity of biological cells. For example, it is not well known how RONS generated by cancer therapies permeate the cell membrane to cause nitro-oxidative damage. There are many studies dedicated to the perme­ation of RONS across native and oxidized membranes, but not across nitrated membranes, another lipid product also generated during nitro-oxidative stress. Herein, we performed molecular dynamics (MD) simulations to calculate the free energy barrier of RONS permeation across nitrated membranes. Our results show that hy­drophilic RONS, such as hydroperoxyl radical (HO2) and peroxynitrous acid (ONOOH), have relatively low barriers compared to hydrogen peroxide (H2O2) and hydroxyl radical (HO), and are more prone to permeate the membrane than for the native or peroxidized membranes, and similar to aldehyde-oxidized membranes. Hy­drophobic RONS like molecular oxygen (O2), nitrogen dioxide (NO2) and nitric oxide (NO) even have insignif­icant barriers for permeation. Compared to native and peroxidized membranes, nitrated membranes are more permeable, suggesting that we must not only consider oxidized membranes during nitro-oxidative stress, but also nitrated membranes, and their role in cancer therapies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000696938800003 Publication Date 2021-08-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0010-4825 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.836 Times cited Open Access OpenAccess
Notes We thank University of Antwerp and Coordination of Superior Level Staff Improvement (CAPES, Brazil) for the scholarship granted and for providing the computational resources needed for completion of this work. M. Yusupov acknowledges the Flanders Research Foundation (grant 1200219N) for financial support. Approved Most recent IF: 1.836
Call Number PLASMANT @ plasmant @c:irua:181082 Serial 6807
Permanent link to this record
 
 
Author Neyts, E.; Shibuta, Y.; Bogaerts, A.
Title Bond switching regimes in nickel and nickel-carbon nanoclusters Type A1 Journal article
Year 2010 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 488 Issue 4/6 Pages 202-205
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Understanding the fundamental dynamics in carbon nanotube (CNT) catalysts is of primary importance to understand CNT nucleation. This Letter reports on calculated bond switching (BS) rates in pure and carbon containing nickel nanoclusters. The rates are analyzed in terms of their temperature dependent spatial distribution and the mobility of the cluster atoms. The BS mechanism is found to change from vibrational to diffusional at around 900 K, with a corresponding strong increase in activation energy. Furthermore, the BS activation energy is observed to decrease as the carbon content in the cluster increases, resulting in an effective liquification of the cluster.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000275751900020 Publication Date 2010-02-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.815 Times cited 20 Open Access
Notes Approved Most recent IF: 1.815; 2010 IF: 2.282
Call Number UA @ lucian @ c:irua:80998 Serial 248
Permanent link to this record
 
 
Author Georgieva, V.; Todorov, I.T.; Bogaerts, A.
Title Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential Type A1 Journal article
Year 2010 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 485 Issue 4/6 Pages 315-319
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A molecular dynamics (MD) study of MgxAlyOz thin films grown by magnetron sputtering is presented using an ionic model and comparing two potential sets with formal and partial charges. The applicability of the model and the reliability of the potential sets for the simulation of thin film growth are discussed. The formal charge potential set was found to reproduce the thin film structure in close agreement with the structure of the experimentally grown thin films. Graphical abstract A molecular dynamics study of growth of MgxAlyOz thin films is presented using an ionic model and comparing two potential sets with formal and partial charges. The simulation results with the formal charge potential set showed a transition in the film from a crystalline to an amorphous structure, when the Mg metal content decreases below 50% in very close agreement with the structure of the experimentally deposited films.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000273782600010 Publication Date 2010-01-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.815 Times cited 16 Open Access
Notes Approved Most recent IF: 1.815; 2010 IF: 2.282
Call Number UA @ lucian @ c:irua:80023 Serial 2170
Permanent link to this record
 
 
Author Kremer, S.P.B.; Kirschhock, C.E.A.; Aerts, A.; Aerts, C.A.; Houthoofd, K.J.; Grobet, P.J.; Jacobs, P.A.; Lebedev, O.I.; Van Tendeloo, G.; Martens, J.A.
Title Zeotile-2: a microporous analogue of MCM-48 Type A1 Journal article
Year 2005 Publication Solid state sciences Abbreviated Journal Solid State Sci
Volume 7 Issue 7 Pages 861-867
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000230259500006 Publication Date 2005-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1293-2558; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.811 Times cited 10 Open Access
Notes Approved Most recent IF: 1.811; 2005 IF: 1.708
Call Number UA @ lucian @ c:irua:54702 Serial 3931
Permanent link to this record
 
 
Author Cenian, A.; Chernukho, A.; Bogaerts, A.; Gijbels, R.
Title Comment on 'Integral cross sections for electron impact excitation of electronic states of N2' Type Editorial
Year 2002 Publication Journal of physics: B : atomic and molecular physics Abbreviated Journal J Phys B-At Mol Opt
Volume 35 Issue 24 Pages 5163-5166
Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Based on the existing experimental data and their statistical errors, it is not possible to make a sound recommendation of the cross-section set of Campbell et al (J. Phys. B: At. Mol. Opt. Phys. 34 (2001) 1185). We comment on this paper.
Address
Corporate Author Thesis
Publisher Iop publishing ltd Place of Publication Bristol Editor
Language Wos 000180629500021 Publication Date 2002-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-4075; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.792 Times cited 2 Open Access
Notes Approved Most recent IF: 1.792; 2002 IF: 1.969
Call Number UA @ lucian @ c:irua:40193 Serial 409
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Author Mortet, V.; Zhang, L.; Eckert, M.; D'Haen, J.; Soltani, A.; Moreau, M.; Troadec, D.; Neyts, E.; De Jaeger, J.C.; Verbeeck, J.; Bogaerts, A.; Van Tendeloo, G.; Haenen, K.; Wagner, P.
Title Grain size tuning of nanocrystalline chemical vapor deposited diamond by continuous electrical bias growth : experimental and theoretical study Type A1 Journal article
Year 2012 Publication Physica status solidi : A : applications and materials science Abbreviated Journal Phys Status Solidi A
Volume 209 Issue 9 Pages 1675-1682
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this work, a detailed structural and spectroscopic study of nanocrystalline diamond (NCD) thin films grown by a continuous bias assisted CVD growth technique is reported. This technique allows the tuning of grain size and phase purity in the deposited material. The crystalline properties of the films are characterized by SEM, TEM, EELS, and Raman spectroscopy. A clear improvement of the crystalline structure of the nanograined diamond film is observed for low negative bias voltages, while high bias voltages lead to thin films consisting of diamond grains of only ∼10 nm nanometer in size, showing remarkable similarities with so-called ultrananocrystalline diamond. These layers arecharacterized by an increasing amount of sp2-bonded carbon content of the matrix in which the diamond grains are embedded. Classical molecular dynamics simulations support the observed experimental data, giving insight in the underlying mechanism for the observed increase in deposition rate with bias voltage. Furthermore, a high atomic concentration of hydrogen has been determined in these films. Finally, Raman scattering analyses confirm that the Raman line observed at ∼1150 cm−1 cannot be attributed to trans-poly-acetylene, which continues to be reported in literature, reassigning it to a deformation mode of CHx bonds in NCD.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000308942100009 Publication Date 2012-09-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1862-6300; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.775 Times cited 31 Open Access
Notes M.E. and E.N. acknowledge financial support from, respectively, the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT), and the Research Foundation-Flanders (FWO). J.V. gratefully acknowledges financial support from the GOA project “XANES meets ELNES” of the research fund of the University of Antwerp. Calculation support was provided by the University of Antwerp through the core facility CALCUA. G.V.T. acknowledges the ERC grant COUNTATOMS. The work was also financially supported by the joint UAUHasseltMethusalem “NANO” network, the Research Programs G.0068.07 and G.0555.10N of the Research Foundation-Flanders (FWO), the IAP-P6/42 project “Quantum Effects in Clusters and Nanowires”, and by the EU FP7 through the Integrated Infrastructure Initiative “ESMI” (No. 262348), the Marie Curie ITN “MATCON” (PITN-GA-2009-238201), and the Collaborative Project “DINAMO” (No. 245122). Approved Most recent IF: 1.775; 2012 IF: 1.469
Call Number UA @ lucian @ c:irua:101516UA @ admin @ c:irua:101516 Serial 1364
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Author Baguer, N.; Georgieva, V.; Calderin, L.; Todorov, I.T.; van Gils, S.; Bogaerts, A.
Title Study of the nucleation and growth of TiO2 and ZnO thin films by means of molecular dynamics simulations Type A1 Journal article
Year 2009 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth
Volume 311 Issue 16 Pages 4034-4043
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The nucleation and growth of titanium dioxide (TiO2) and zinc oxide (ZnO) thin films on Fe2O3 (hematite), Al2O3 (á-alumina) and SiO2 (á-quartz) are studied by molecular dynamics simulations. The results show the formation of a strong interface region between the substrate and the film in the six systems studied here. A combination of polycrystalline and amorphous phases are observed in the TiO2 films grown on the three substrates. ZnO deposition on the Fe2O3 and Al2O3 crystals yields a monocrystalline film growth. The ZnO film deposited on the SiO2 crystal exhibits less crystallinity. The simulation results are compared with experimental results available in the literature.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000269580100012 Publication Date 2009-06-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-0248; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.751 Times cited 23 Open Access
Notes Approved Most recent IF: 1.751; 2009 IF: 1.534
Call Number UA @ lucian @ c:irua:77453 Serial 3338
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Author Bogaerts, A.; Yusupov, M.; Razzokov, J.; Van der Paal, J.
Title Plasma for cancer treatment: How can RONS penetrate through the cell membrane? Answers from computer modeling Type A1 Journal article
Year 2019 Publication Frontiers of Chemical Science and Engineering Abbreviated Journal Front Chem Sci Eng
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma is gaining increasing interest for cancer

treatment, but the underlying mechanisms are not yet fully

understood. Using computer simulations at the molecular

level, we try to gain better insight in how plasma-generated

reactive oxygen and nitrogen species (RONS) can

penetrate through the cell membrane. Specifically, we

compare the permeability of various (hydrophilic and

hydrophobic) RONS across both oxidized and nonoxidized cell membranes. We also study pore formation,

and how it is hampered by higher concentrations of

cholesterol in the cell membrane, and we illustrate the

much higher permeability of H2O2 through aquaporin

channels. Both mechanisms may explain the selective

cytotoxic effect of plasma towards cancer cells. Finally, we

also discuss the synergistic effect of plasma-induced

oxidation and electric fields towards pore formation.

Keywords plasma medicine, cancer treatment, computer

modelling, cell membrane, reactive oxygen and nitrogen

species
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000468848400004 Publication Date 2019-03-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2095-0179 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.712 Times cited 5 Open Access Not_Open_Access: Available from 23.05.2020
Notes We acknowledge financial support from the Research Foundation–Flanders (FWO; Grant Nos. 1200216N and 11U5416N). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. We are also very thankful to R. Cordeiro for the very interesting discussions. Approved Most recent IF: 1.712
Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:159977 Serial 5172
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Author Bogaerts, A.; Grozeva, M.
Title Axial non-uniformity of longitudinal hollow cathode discharges for laser applications: numerical modeling and comparison with experiments Type A1 Journal article
Year 2002 Publication Applied physics: B: photo-physics and laser chemistry Abbreviated Journal Appl Phys B-Lasers O
Volume 75 Issue Pages 731-738
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000180587100019 Publication Date 2004-03-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0946-2171;1432-0649; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.696 Times cited 8 Open Access
Notes Approved Most recent IF: 1.696; 2002 IF: 2.080
Call Number UA @ lucian @ c:irua:44007 Serial 211
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Author Bogaerts, A.; Grozeva, M.
Title Effect of helium/argon gas ratio in a He-Ar-Cu+ IR hollow-cathode discharge laser : modeling study and comparison with experiments Type A1 Journal article
Year 2003 Publication Applied physics B : lasers and optics Abbreviated Journal Appl Phys B-Lasers O
Volume 76 Issue 3 Pages 299-306
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The He-Ar-Cu+ IR laser operates in a hollow-cathode discharge, typically in a mixture of helium with a few-% Ar. The population inversion of the Cu+ ion levels, responsible for laser action, is attributed to asymmetric charge transfer between He+ ions and sputtered Cu atoms. The Ar gas is added to promote sputtering of the Cu cathode. In this paper, a hybrid modeling network consisting of several different models for the various plasma species present in a He-Ar-Cu hollow-cathode discharge is applied to investigate the effect of Ar concentration in the gas mixture on the discharge behavior, and to find the optimum He/Ar gas ratio for laser operation. It is found that the densities of electrons, Ar+ ions, Ar-m* metastable atoms, sputtered Cu atoms and Cu+ ions increase upon the addition of more Ar gas, whereas the densities of He+ ions, He-2(+) ions and He-m* metastable atoms drop considerably. The product of the calculated Cu atom and He+ ion densities, which determines the production rate of the upper laser levels, and hence probably also the laser output power, is found to reach a maximum around 1-5% Ar addition. This calculation result is compared to experimental measurements, and reasonable agreement has been reached.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000182758000017 Publication Date 2004-03-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0946-2171;1432-0649; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.696 Times cited 6 Open Access
Notes Approved Most recent IF: 1.696; 2003 IF: 2.012
Call Number UA @ lucian @ c:irua:104125 Serial 812
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Author Bogaerts, A.; Gijbels, R.
Title Numerical modelling of gas discharge plasmas for various applications Type A1 Journal article
Year 2003 Publication Vacuum: surface engineering, surface instrumentation & vacuum technology Abbreviated Journal Vacuum
Volume 69 Issue Pages 37-52
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Gas discharge plasmas are used for a wide range of applications. To improve our understanding about gas discharges, which is necessary to obtain good results in the various application fields, we perform numerical modelling of gas discharge plasmas. Various kinds of modelling approaches, for various types of gas discharges, are being used in our group. In this paper, some examples of this modelling work are outlined. (C) 2002 Elsevier Science Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000180739000006 Publication Date 2002-12-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0042-207X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.53 Times cited 16 Open Access
Notes Approved Most recent IF: 1.53; 2003 IF: 0.612
Call Number UA @ lucian @ c:irua:40194 Serial 2401
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Author Kolev, I.; Bogaerts, A.
Title Numerical models of the planar magnetron glow discharges Type A1 Journal article
Year 2004 Publication Contributions to plasma physics Abbreviated Journal Contrib Plasm Phys
Volume 44 Issue 7/8 Pages 582-588
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000225541000003 Publication Date 2004-11-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0863-1042;1521-3986; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.44 Times cited 22 Open Access
Notes Approved Most recent IF: 1.44; 2004 IF: 0.701
Call Number UA @ lucian @ c:irua:49069 Serial 2402
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Author Bogaerts, A.; Gijbels, R.; Goedheer, W.
Title Hybrid modeling of a capacitively coupled radio frequency glow discharge in argon: combined Monte Carlo and fluid model Type A1 Journal article
Year 1999 Publication Japanese journal of applied physics Abbreviated Journal Jpn J Appl Phys
Volume 38 Issue Pages 4404-4415
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Kyoto Editor
Language Wos 000082871400032 Publication Date 2002-10-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-4922;1347-4065; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.384 Times cited 45 Open Access
Notes Approved Most recent IF: 1.384; 1999 IF: 1.411
Call Number UA @ lucian @ c:irua:24922 Serial 1523
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Author Liu, Y.-X.; Zhang, Y.-R.; Bogaerts, A.; Wang, Y.-N.
Title Electromagnetic effects in high-frequency large-area capacitive discharges : a review Type A1 Journal article
Year 2015 Publication Journal of vacuum science and technology: A: vacuum surfaces and films Abbreviated Journal J Vac Sci Technol A
Volume 33 Issue 33 Pages 020801
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In traditional capacitively coupled plasmas, the discharge can be described by an electrostatic model, in which the Poisson equation is employed to determine the electrostatic electric field. However, current plasma reactors are much larger and driven at a much higher frequency. If the excitation wavelength k in the plasma becomes comparable to the electrode radius, and the plasma skin depth d becomes comparable to the electrode spacing, the electromagnetic (EM) effects will become significant and compromise the plasma uniformity. In this regime, capacitive discharges have to be described by an EM model, i.e., the full set of Maxwells equations should be solved to address the EM effects. This paper gives an overview of the theory, simulation and experiments that have recently been carried out to understand these effects, which cause major uniformity problems in plasma processing for microelectronics and flat panel display industries. Furthermore, some methods for improving the plasma uniformity are also described and compared.
Address
Corporate Author Thesis
Publisher A v s amer inst physics Place of Publication Melville Editor
Language Wos 000355739500007 Publication Date 2015-02-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0734-2101;1520-8559; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 1.374 Times cited 10 Open Access
Notes Approved Most recent IF: 1.374; 2015 IF: 2.322
Call Number c:irua:123541 Serial 903
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