Home << 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 >>
List View
 | 
Citations
 | 
Details
   web
Records
Author Neira, I.S.; Kolen'ko, Y.V.; Lebedev, O.I.; Van Tendeloo, G.; Gupta, H.S.; Matsushita, N.; Yoshimura, M.; Guitian, F.
Title Rational synthesis of a nanocrystalline calcium phosphate cement exhibiting rapid conversion to hydroxyapatite Type A1 Journal article
Year 2009 Publication Materials science and engineering: part C: biomimetic materials Abbreviated Journal Mat Sci Eng C-Mater
Volume 29 Issue 7 Pages 2124-2132
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The rational synthesis, comprehensive characterization, and mechanical and micromechanical properties of a calcium phosphate cement are presented. Hydroxyapatite cement biomaterial was synthesized from reactive sub-micrometer-sized dicalcium phosphate dihydrate and tetracalcium phosphate via a dissolution-precipitation reaction using water as the liquid phase. As a result nanostructured, Ca-deficient and carbonated B-type hydroxyapatite is formed. The cement shows good processibility, sets in 22 ± 2 min and entirely transforms to the end product after 6 h of setting reaction, one of the highest conversion rates among previously reported for calcium phosphate cements based on dicalcium and tetracalcium phosphates. The combination of all elucidated physical-chemical traits leads to an essential bioactivity and biocompatibility of the cement, as revealed by in vitro acellular simulated body fluid and cell culture studies. The compressive strength of the produced cement biomaterial was established to be 25 ± 3 MPa. Furthermore, nanoindentation tests were performed directly on the cement to probe its local elasticity and plasticity at sub-micrometer/micrometer level. The measured elastic modulus and hardness were established to be Es = 23 ± 3.5 and H = 0.7 ± 0.2 GPa, respectively. These values are in close agreement with those reported in literature for trabecular and cortical bones, reflecting good elastic and plastic coherence between synthesized cement biomaterial and human bones.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000270159200008 Publication Date 2009-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0928-4931; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.164 Times cited 18 Open Access
Notes Esteem 026019 Approved Most recent IF: 4.164; 2009 IF: NA
Call Number UA @ lucian @ c:irua:79312 Serial 2812
Permanent link to this record
 
 
Author Voss, A.; Wei, H.Y.; Zhang, Y.; Turner, S.; Ceccone, G.; Reithmaier, J.P.; Stengl, M.; Popov, C.
Title Strong attachment of circadian pacemaker neurons on modified ultrananocrystalline diamond surfaces Type A1 Journal article
Year 2016 Publication Materials science and engineering: part C: biomimetic materials Abbreviated Journal Mat Sci Eng C-Mater
Volume 64 Issue 64 Pages 278-285
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Diamond is a promising material for a number of bio-applications, including the fabrication of platforms for attachment and investigation of neurons and of neuroprostheses, such as retinal implants. In the current work ultrananocrystalline diamond (UNCD) films were deposited by microwave plasma chemical vapor deposition, modified by UV/O-3 treatment or NH3 plasma, and comprehensively characterized with respect to their bulk and surface properties, such as crystallinity, topography, composition and chemical bonding nature. The interactions of insect circadian pacemaker neurons with UNCD surfaces with H-, O- and NH2-terminations were investigated with respect to cell density and viability. The fast and strong attachment achieved without application of adhesion proteins allowed for advantageous modification of dispersion protocols for the preparation of primary cell cultures. Centrifugation steps, which are employed for pelletizing dispersed cells to separate them from dispersing enzymes, easily damage neurons. Now centrifugation can be avoided since dispersed neurons quickly and strongly attach to the UNCD surfaces. Enzyme solutions can be easily washed off without losing many of the dispersed cells. No adverse effects on the cell viability and physiological responses were observed as revealed by calcium imaging. Furthermore, the enhanced attachment of the neurons, especially on the modified UNCD surfaces, was especially advantageous for the immunocytochemical procedures with the cell cultures. The cell losses during washing steps were significantly reduced by one order of magnitude in comparison to controls. In addition, the integration of a titanium grid structure under the UNCD films allowed for individual assignment of physiologically characterized neurons to immunocytochemically stained cells. Thus, employing UNCD surfaces free of foreign proteins improves cell culture protocols and immunocytochemistry with cultured cells. The fast and strong attachment of neurons was attributed to a favorable combination of topography, surface chemistry and wettability. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000376547700033 Publication Date 2016-03-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0928-4931 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.164 Times cited 7 Open Access
Notes Approved Most recent IF: 4.164
Call Number UA @ lucian @ c:irua:134164 Serial 4251
Permanent link to this record
 
 
Author Nowak, D.; Florek, M.; Nowak, J.; Kwiatek, W.; Lekki, J.; Chevallier, P.; Hacura, A.; Wrzalik, R.; Ben-Nissan, B.; Van Grieken, R.; Kuczumow, A.
Title Morphology and the chemical make-up of the inorganic components of black corals Type A1 Journal article
Year 2009 Publication Materials science and engineering: part C: biomimetic materials Abbreviated Journal
Volume 29 Issue 3 Pages 1029-1038
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Black corals (Cnidaria, Antipatharia) from three different sources were investigated with the aim of detecting inorganic components and their morphology. In general, the skeleton of black corals was composed of the chitin fibrils admixed with peptides and the chitin presence was confirmed by the X-ray diffraction (XRD), Fourier Transformed Infrared Spectrometry (FTIR) and microRaman Microscopy, the latter giving the opportunity of tracing single fibrils and their location. The composition and concentrations of the inorganic components of the black corals were measured, using a scanning electron microprobe and micro-Particle Induced X-ray Emission (µ-PIXE). The application of such instruments enabled the estimation of the constituent distributions in a microscale. The mapping option was the most useful technique of making analyses in these studies, just to reveal the composition of chamber-like cells. Analysis of the morphology and microstructure showed that there were three distinct regions within the coral: a core and the cells encircled with adjacent interface gluing strips. The majority of the elements analyzed were selectively distributed and segregated in a striking way in mentioned distinctive zones of the skeleton and it was detected for the first time. The core area was characterized by the relatively elevated concentrations of Ca. The measurements gave extremely clear images of the distribution of particular elements in the skeletal tissue, with I, Ca, K and Fe much more concentrated in the gluing zones, while C, N, Na and Mg present in the interiors of particular skeletal cells. The distribution of some elements (Mg, Fe) and some compounds (chitin) and functional groups (SS, CI) allows differentiating the biological and mechanical functions of particular fragments of the rods. The kinds of elements and their concentrations measured were essentially in compliance with rare data available in the literature. The Raman technique gave the additional qualitative information about the structure of gluing zone and the chitin fibrils and surrounding matrix inside the cell interior.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000266520400065 Publication Date 2008-09-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0928-4931 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:76024 Serial 8284
Permanent link to this record
 
 
Author Jain, R.; Rather, J.A.; Dwivedi, A.
Title Voltammetric behaviour of nitroxazepine in solubilized system and biological fluids Type A1 Journal article
Year 2011 Publication Materials science and engineering: part C: biomimetic materials Abbreviated Journal
Volume 31 Issue 2 Pages 230-237
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract This study reports the development and validation of sensitive and selective assay method for the determination of the antidepressant drug in solubilized system and biological fluids. Solubilized system of different surfactants including cationic, anionic and non-ionic influences the electrochemical response of drug. Addition of cationic surfactant cetrimide to the solution containing drug enhances the peak current signal while anionic and non-ionic showed an opposite effect. The current signal due to reduction process was function of concentration of nitroxazepine, pH, type of surfactant and preconcentration time at the electrode surface. The reduction process is irreversible and adsorption controlled at HMDE. Various chemical and instrumental parameters affecting the monitored electroanalytical response were investigated and optimized for niroxazepine hydrochloride determination. The proposed SWCAdSV and DPCAdSV methods are linear over the concentration range 2.0 × 10-7 5.0 × 10-9 mol/L and 6.1 × 10-7 1.0 × 10-8 mol/L with detection limit of 1.62 × 10-10 mo/L and 1.4 × 10-9 mo/L respectively. The method shows good sensitivity, selectivity, accuracy and precision that makes it very suitable for determination of nitroxazepine in pharmaceutical formulation and biological fluids.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000286707900024 Publication Date 2010-09-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0928-4931 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:98685 Serial 8743
Permanent link to this record
 
 
Author Liu, S.; Wei, M.; Sui, X.; Cheng, X.; Cool, P.; Van Tendeloo, G.
Title A scanning electron microscopy study on hollow silica microspheres: defects and influences of the synthesis composition Type A1 Journal article
Year 2009 Publication Journal of sol-gel science and technology Abbreviated Journal J Sol-Gel Sci Techn
Volume 49 Issue 3 Pages 373-379
Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT)
Abstract Defects on hollow silica spheres synthesized in a tetraethylorthosilicate-octylamine-HCl-H2O system were recorded by scanning microscope. Based on the results, influences of synthesis composition on the formation of these defects are discussed. It is evidenced that products prepared with different octylamine-to-tetraethylorthosilicate ratios may have surface depressions, cracks and non-hollow microspheres. However, by changing water and acid additions, these defects could be reduced or eliminated. Generally, samples synthesized with a large octylamine addition commonly exhibit surface depressions. A small octylamine or a large water addition benefits the formation of solid silica microspheres among the product. Acid, although is not indispensable for the formation of hollow spheres, helps to eliminate or reduce depressions on the hollow shells. It is explained that the added acid gives rise to a relative localized fast hydrolysis versus condensation, facilitating an easy mobility of hydrolyzed silica species, and consequently the shell surface is smoothened.
Address
Corporate Author Thesis
Publisher Kluwer Place of Publication Dordrecht Editor
Language Wos 000263260100015 Publication Date 2008-12-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0928-0707;1573-4846; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.575 Times cited 1 Open Access
Notes Approved Most recent IF: 1.575; 2009 IF: 1.393
Call Number UA @ lucian @ c:irua:74962 Serial 2941
Permanent link to this record
 
 
Author Vasiliev, A.L.; Stepantsov, E.A.; Ivanov, Z.G.; Olsson, E.; Verbist, K.; Van Tendeloo, G.
Title Structure of artificial grain boundaries in sapphire bicrystals with intermediate layers Type A1 Journal article
Year 1997 Publication Interface science Abbreviated Journal
Volume 5 Issue Pages 223-230
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Kluwer Place of Publication Boston Editor
Language Wos A1997YJ98600002 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0927-7056 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 3 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:21451 Serial 3307
Permanent link to this record
 
 
Author Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C.
Title Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide Type A1 Journal article
Year 2014 Publication Computational materials science Abbreviated Journal Comp Mater Sci
Volume 95 Issue Pages 579-591
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A reactive ReaxFF force field is developed for studying the influence of intrinsic point defects on the chemistry with TiO2 condensed phases. The force field parameters are optimized to ab initio data for the equations of state, relative phase stabilities for titanium and titanium dioxide, potential energy differences for (TiO2)n-clusters (n = 116). Also data for intrinsic point defects in anatase were added. These data contain formation energies for interstitial titanium and oxygen vacancies, diffusion barriers of the oxygen vacancies and molecular oxygen adsorption on a reduced anatase (101) surface. Employing the resulting force field, we study the influence of concentration of oxygen vacancies and expansion or compression of an anatase surface on the diffusion of the oxygen vacancies. Also the barrier for oxygen diffusion in the subsurface region is evaluated using this force field. This diffusion barrier of 27.7 kcal/mol indicates that the lateral redistribution of oxygen vacancies on the surface and in the subsurface will be dominated by their diffusion in the subsurface, since both this barrier as well as the barriers for diffusion from the surface to the subsurface and vice versa (17.07 kcal/mol and 21.91 kcal/mol, respectively, as calculated with DFT), are significantly lower than for diffusion on the surface (61.12 kcal/mol as calculated with DFT).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000343781700077 Publication Date 2014-09-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0927-0256; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.292 Times cited 15 Open Access
Notes Approved Most recent IF: 2.292; 2014 IF: 2.131
Call Number UA @ lucian @ c:irua:119409 Serial 682
Permanent link to this record
 
 
Author Fang, C.M.; van Huis, M.A.; Zandbergen, H.W.
Title Stability and structures of the CFCC-TmC phases : a first-principles study Type A1 Journal article
Year 2012 Publication Computational materials science Abbreviated Journal Comp Mater Sci
Volume 51 Issue 1 Pages 146-150
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000296214300020 Publication Date 2011-08-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0927-0256; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.292 Times cited 18 Open Access
Notes Approved Most recent IF: 2.292; 2012 IF: 1.878
Call Number UA @ lucian @ c:irua:93277 Serial 3119
Permanent link to this record
 
 
Author Gonzalez-Garcia, A.; Lopez-Perez, W.; Rivera-Julio, J.; Peeters, F.M.; Mendoza-Estrada, V.; Gonzalez-Hernandez, R.
Title Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (111) binary compounds: An ab-initio study Type A1 Journal article
Year 2018 Publication Computational materials science Abbreviated Journal Comp Mater Sci
Volume 144 Issue 144 Pages 285-293
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Structural, mechanical and electronic properties of two-dimensional single-layer hexagonal structures in the (111) crystal plane of IIIAs-ZnS systems (III = B, Ga and In) are studied by first-principles calculations based on density functional theory (DFT). Elastic and phonon dispersion relation display that 2D h-IIIAs systems (III = B, Ga and In) are both mechanical and dynamically stable. Electronic structures analysis show that the semiconducting nature of the 3D-IIIAs compounds is retained by their 2D single layer counterpart. Furthermore, density of states reveals the influence of sigma and pi bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Calculations of elastic constants show that the Young's modulus, bulk modulus and shear modulus decrease for 2D h-IIIAs binary compounds as we move down on the group of elements of the periodic table. In addition, as the bond length between the neighboring cation-anion atoms increases, the 2D h-IIIAs binary compounds display less stiffness and more plasticity. Our findings can be used to understand the contribution of the r and p bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Structural and electronic properties of h-IIIAs systems as a function of the number of layers have been also studied. It is shown that h-BAs keeps its planar geometry while both h-GAs and h-InAs retained their buckled ones obtained by their single layers. Bilayer h-IIIAs present the same bandgap nature of their counterpart in 3D. As the number of layers increase from 2 to 4, the bandgap width for layered h-IIIAs decreases until they become semimetal or metal. Interestingly, these results are different to those found for layered h-GaN. The results presented in this study for single and few-layer h-IIIAs structures could give some physical insights for further theoretical and experimental studies of 2D h-IIIV-like systems. (C) 2017 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000424902300036 Publication Date 2017-12-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0927-0256 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.292 Times cited 3 Open Access
Notes ; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712 – Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. ; Approved Most recent IF: 2.292
Call Number UA @ lucian @ c:irua:149897UA @ admin @ c:irua:149897 Serial 4949
Permanent link to this record
 
 
Author Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C.
Title Effects of silicon doping on strengthening adhesion at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study Type A1 Journal article
Year 2019 Publication Computational materials science Abbreviated Journal Comp Mater Sci
Volume 159 Issue 159 Pages 228-234
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper we employ first-principles calculations to investigate the effect of substitutional Si doping in the amorphous calcium-phosphate (a-HAP) structure on the work of adhesion, integral charge transfer, charge density difference and theoretical tensile strengths between an a-HAP coating and amorphous titanium dioxide (a-TiO2) substrate systemically. Our calculations demonstrate that substitution of a P atom by a Si atom in a-HAP (a-Si-HAP) with the creation of OH-vacancies as charge compensation results in a significant increase of the bonding strength of the coating to the substrate. The work of adhesion of the optimized Si-doped interfaces reaches a value of up to -2.52 J m(-2), which is significantly higher than for the stoichiometric a-HAP/a-TiO2. Charge density difference analysis indicates that the dominant interactions at the interface have significant covalent character, and in particular two Ti-O and three Ca-O bonds are formed for a-Si-HAP/a-TiO2 and one Ti-O and three Ca-O bonds for a-HAP/a-TiO2. From the stress-strain curve, the Young's modulus of a-Si-HAP/a-TiO2 is calculated to be about 25% higher than that of the a-HAP/a-TiO2, and the yielding stress is about 2 times greater than that of the undoped model. Our calculations therefore demonstrate that the presence of Si in the a-HAP structure strongly alters not only the bioactivity and resorption rates, but also the mechanical properties of the a-HAP/a-TiO2 interface. The results presented here provide an important theoretical insight into the nature of the chemical bonding at the a-HAP/a-TiO2 interface, and are particularly significant for the practical medical applications of HAP-based biomaterials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000457856900023 Publication Date 2018-12-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0927-0256 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.292 Times cited 1 Open Access Not_Open_Access
Notes Approved Most recent IF: 2.292
Call Number UA @ admin @ c:irua:157480 Serial 5272
Permanent link to this record
 
 
Author Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y.
Title Accelerated molecular dynamics simulation of large systems with parallel collective variable-driven hyperdynamics Type A1 Journal article
Year 2020 Publication Computational Materials Science Abbreviated Journal Comp Mater Sci
Volume 177 Issue Pages 109581
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The limitation in time and length scale is a major issue of molecular dynamics (MD) simulation. Although several methods have been developed to extend the MD time scale, their performance usually deteriorates with increasing system size. Therefore, an acceleration method which is applicable to large systems is required to bridge the gap between the MD simulations and target phenomena. In this study, an accelerated MD method for large system is developed based on the collective variable-driven hyperdynamics (CVHD) method [K.M. Bal and E.C. Neyts, 2015]. The key idea is to run CVHD in parallel with rate control and accelerate multiple possible events simultaneously. Using this novel method, carbon diffusion in bcc-iron bicrystal with grain boundary is examined as an application for practical materials. Carbon atoms reaching at the grain boundary are trapped whereas carbon atoms in the bulk region diffuse randomly, and both dynamic regimes can be simultaneously accelerated with the parallel CVHD technique.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000519576300001 Publication Date 2020-02-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0927-0256 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited Open Access
Notes JSPS, J22727 ; Japan Society for the Promotion of Science; This work was supported by Grant-in-Aid for Scientific Research (B) (No.19H02415) and Grant-in-Aid for JSPS Research Fellow (No.18J22727) from Japan Society for the Promotion of Science (JSPS), Japan. S.F. was supported by JSPS through the Program for Leading Graduate Schools (MERIT). Data availability The data required to reproduce these findings are available from the corresponding authors upon reasonable request. Approved Most recent IF: 3.3; 2020 IF: 2.292
Call Number PLASMANT @ plasmant @c:irua:166773 Serial 6333
Permanent link to this record
 
 
Author Mobaraki, A.; Kandemir, A.; Yapicioglu, H.; Gulseren, O.; Sevik, C.
Title Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties Type A1 Journal article
Year 2018 Publication Computational materials science Abbreviated Journal
Volume 144 Issue Pages 92-98
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In recent years, transition metal dichalcogenides (TMDs) displaying astonishing properties are emerged as a new class of two-dimensional layered materials. The understanding and characterization of thermal transport in these materials are crucial for efficient engineering of 2D TMD materials for applications such as thermoelectric devices or overcoming general overheating issues. In this work, we obtain accurate Stillinger-Weber type empirical potential parameter sets for single-layer WS2 and WSe2 crystals by utilizing particle swarm optimization, a stochastic search algorithm. For both systems, our results are quite consistent with first-principles calculations in terms of bond distances, lattice parameters, elastic constants and vibrational properties. Using the generated potentials, we investigate the effect of temperature on phonon energies and phonon linewidth by employing spectral energy density analysis. We compare the calculated frequency shift with respect to temperature with corresponding experimental data, clearly demonstrating the accuracy of the generated inter-atomic potentials in this study. Also, we evaluate the lattice thermal conductivities of these materials by means of classical molecular dynamics simulations. The predicted thermal properties are in very good agreement with the ones calculated from first-principles. (C) 2017 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000424902300013 Publication Date 2017-12-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0927-0256 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:193774 Serial 8729
Permanent link to this record
 
 
Author Hassani, N.; Yagmurcukardes, M.; Peeters, F.M.; Neek-Amal, M.
Title Chlorinated phosphorene for energy application Type A1 Journal article
Year 2024 Publication Computational materials science Abbreviated Journal
Volume 231 Issue Pages 112625-112628
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The influence of decoration with impurities and the composition dependent band gap in 2D materials has been the subject of debate for a long time. Here, by using Density Functional Theory (DFT) calculations, we systematically disclose physical properties of chlorinated phosphorene having the stoichiometry of PmCln. By analyzing the adsorption energy, charge density, migration energy barrier, structural, vibrational, and electronic properties of chlorinated phosphorene, we found that (I) the Cl-P bonds are strong with binding energy Eb =-1.61 eV, decreases with increasing n. (II) Cl atoms on phosphorene have anionic feature, (III) the migration path of Cl on phosphorene is anisotropic with an energy barrier of 0.38 eV, (IV) the phonon band dispersion reveal that chlorinated phosphorenes are stable when r <= 0.25 where r = m/n, (V) chlorinated phosphorenes is found to be a photonic crystal in the frequency range of 280 cm-1 to 325 cm-1, (VI) electronic band structure of chlorinated phosphorenes exhibits quasi-flat bands emerging around the Fermi level with widths in the range of 22 meV to 580 meV, and (VII) Cl adsorption causes a semiconducting to metallic/semi-metallic transition which makes it suitable for application as an electroactive material. To elucidate this application, we investigated the change in binding energy (Eb), specific capacity, and open-circuit voltage as a function of the density of adsorbed Cl. The theoretical storage capacity of the chlorinated phosphorene is found to be 168.19 mA h g-1with a large average voltage (similar to 2.08 V) which is ideal number as a cathode in chloride-ion batteries.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001110003400001 Publication Date 2023-11-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0927-0256 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 2 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.3; 2024 IF: 2.292
Call Number UA @ admin @ c:irua:202125 Serial 9008
Permanent link to this record
 
 
Author Hassani, N.; Movafegh-Ghadirli, A.; Mahdavifar, Z.; Peeters, F.M.; Neek-Amal, M.
Title Two new members of the covalent organic frameworks family : crystalline 2D-oxocarbon and 3D-borocarbon structures Type A1 Journal article
Year 2024 Publication Computational materials science Abbreviated Journal
Volume 241 Issue Pages 1-9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Oxocarbons, known for over two centuries, have recently revealed a long-awaited facet: two-dimensional crystalline structures. Employing an intelligent global optimization algorithm (IGOA) alongside densityfunctional calculations, we unearthed a quasi -flat oxocarbon (C 6 0 6 ), featuring an oxygen -decorated hole, and a novel 3D-borocarbon. Comparative analyses with recently synthesized isostructures, such as 2D -porous carbon nitride (C 6 N 6 ) and 2D -porous boroxine (B 6 0 6 ), highlight the unique attributes of these compounds. All structures share a common stoichiometry of X 6 Y 6 (which we call COF-66), where X = B, C, and Y = B, N, O (with X not equal Y), exhibiting a 2D -crystalline structure, except for borocarbon C 6 B 6 , which forms a 3D crystal. In our comprehensive study, we conducted a detailed exploration of the electronic structure of X 6 Y 6 compounds, scrutinizing their thermodynamic properties and systematically evaluating phonon stability criteria. With expansive surface areas, diverse pore sizes, biocompatibility, pi-conjugation, and distinctive photoelectric properties, these structures, belonging to the covalent organic framework (COF) family, present enticing prospects for fundamental research and hold potential for biosensing applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001215960700001 Publication Date 2024-04-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0927-0256 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.3 Times cited Open Access
Notes Approved Most recent IF: 3.3; 2024 IF: 2.292
Call Number UA @ admin @ c:irua:206005 Serial 9179
Permanent link to this record
 
 
Author Schryvers, D.; Potapov, P.; Santamarta, R.; Tirry, W.
Title Applications of advanced transmission electron microscopic techniques to Ni-Ti based shape memory materials Type A1 Journal article
Year 2004 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 378 Issue 1/2 Pages 11-15
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000223329900003 Publication Date 2004-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 6 Open Access
Notes Approved Most recent IF: 3.094; 2004 IF: 1.445
Call Number UA @ lucian @ c:irua:48783 Serial 145
Permanent link to this record
 
 
Author Srivastava, A.K.; Yang, Z.; Schryvers, D.; van Hurnbeeck, J.
Title Effect of annealing on cold-rolled Ni-Ti alloys Type A1 Journal article
Year 2008 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 481 Issue Si Pages 594-597
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000255716100123 Publication Date 2007-06-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 8 Open Access
Notes Fwo; G0465.05 Approved Most recent IF: 3.094; 2008 IF: 1.806
Call Number UA @ lucian @ c:irua:69141 Serial 797
Permanent link to this record
 
 
Author Yang, Z.Q.; Schryvers, D.
Title Electron energy-loss spectroscopy study of NiTi shape memory alloys Type A1 Journal article
Year 2008 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 481 Issue Pages 214-217
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000255716100041 Publication Date 2007-06-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 7 Open Access
Notes Gao Approved Most recent IF: 3.094; 2008 IF: 1.806
Call Number UA @ lucian @ c:irua:69156 Serial 934
Permanent link to this record
 
 
Author Bouvier, S.; Benmhenni, N.; Tirry, W.; Gregory, F.; Nixon, M.E.; Cazacu, O.; Rabet, L.
Title Hardening in relation with microstructure evolution of high purity \alpha-titanium deformed under monotonic and cyclic simple shear loadings at room temperature Type A1 Journal article
Year 2012 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 535 Issue Pages 12-21
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The aim of this paper is to gain understanding of the quasi-static, large strain deformation behavior at room-temperature of high-purity alpha-Ti with an initial split-basal texture. Simple shear tests were conducted along different directions in order to quantify the material's anisotropy and hardening evolution for different strain paths such as monotonic, Bauschinger, and cyclic loadings. The stress-strain curves indicate that the material displays strong anisotropy in the flow behavior. In order to capture the link between microstructure evolution (occurrence of twinning, grain size evolution, etc.) and the macroscopic response, a thoroughly detailed multi-scale characterization using scanning electron microscope (SEM) observations and electron backscattered diffraction (EBSD) analysis was also conducted. Specifically, EBSD analyses indicate that the twin activity and grain fragmentation are responsible for the observed difference between the macroscopic hardening rates corresponding to different directions and loading paths. (C) 2011 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000301402400003 Publication Date 2011-12-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 22 Open Access
Notes Approved Most recent IF: 3.094; 2012 IF: 2.108
Call Number UA @ lucian @ c:irua:97824 Serial 1410
Permanent link to this record
 
 
Author Tirry, W.; Schryvers, D.
Title High resolution TEM study of Ni4Ti3 precipitates in austenitic Ni51Ti49 Type A1 Journal article
Year 2004 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 378 Issue 1/2 Pages 157-160
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000223329900028 Publication Date 2004-04-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 19 Open Access
Notes Approved Most recent IF: 3.094; 2004 IF: 1.445
Call Number UA @ lucian @ c:irua:48785 Serial 1461
Permanent link to this record
 
 
Author Coghe, F.; Tirry, W.; Rabet, L.; Schryvers, D.; Van Houtte, P.
Title Importance of twinning in static and dynamic compression of a Ti-6Al-4V titanium alloy with an equiaxed microstructure Type A1 Journal article
Year 2012 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 537 Issue Pages 1-10
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Whereas deformation twinning is known to be an important deformation mechanism for hexagonal materials like magnesium and pure titanium, so far almost no literature exists on the twinning behaviour of the Ti-6Al-4V alloy. In this work it was shown that the activation of twinning as a deformation mechanism could have a pronounced effect on the mechanical behaviour of the Ti-6Al-4V alloy. This effect is even more pronounced under dynamic loading conditions. Transmission electron microscopy showed that only the {1 0 1 2}{1 0 1 1} tensile twin system was activated under certain loading conditions. Light-optical microscopy and electron backscatter diffraction data were afterwards used to experimentally determine the twin fractions. The importance of twinning for the texture evolution was also studied. It was shown that even small twin fractions can lead to distinct texture features, especially due to the discrete reorientation of the c-axes. The experimental results were compared to simulated results that were obtained with a viscoplastic self-consistent crystal plasticity code, after experimental validation that twinning can be reliably modelled as a unidirectional slip system. Although good agreement was obtained for the experimental and simulated stress-strain curves, the simulated results concerning twinning correlated well only on a qualitative basis as the simulated twin fractions were systematically higher than the experimental fractions. This seems to strengthen the hypothesis made by other research groups that complete grains might reorient by twinning. (C) 2011 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000301473300001 Publication Date 2011-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 35 Open Access
Notes Approved Most recent IF: 3.094; 2012 IF: 2.108
Call Number UA @ lucian @ c:irua:97818 Serial 1565
Permanent link to this record
 
 
Author Tirry, W.; Schryvers, D.
Title In situ transmission electron microscopy of stress-induced martensite with focus on martensite twinning Type A1 Journal article
Year 2008 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 481 Issue Si Pages 420-425
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000255716100087 Publication Date 2007-06-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 22 Open Access
Notes Approved Most recent IF: 3.094; 2008 IF: 1.806
Call Number UA @ lucian @ c:irua:69139 Serial 1586
Permanent link to this record
 
 
Author Schryvers, D.; Holland-Moritz, D.
Title Martensitic transformations and microstructures in splat-cooled Ni-Al Type A1 Journal article
Year 1999 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 273/275 Issue Pages 697-702
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000084560400122 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 6 Open Access
Notes Approved Most recent IF: 3.094; 1999 IF: 0.943
Call Number UA @ lucian @ c:irua:29380 Serial 1949
Permanent link to this record
 
 
Author Schryvers, D.; Tirry, W.; Yang, Z.Q.;
Title Measuring strain fields and concentration gradients around Ni4Ti3 precipitates Type A1 Journal article
Year 2006 Publication Materials science and engineering A: structural materials properties microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 438 Issue Pages 485-488
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000242900900105 Publication Date 2006-07-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 35 Open Access
Notes Goa Approved Most recent IF: 3.094; 2006 IF: 1.490
Call Number UA @ lucian @ c:irua:62329 Serial 1969
Permanent link to this record
 
 
Author Tirry, W.; Coghe, F.; Bouvier, S.; Gasperini, M.; Rabet, L.; Schryvers, D.
Title A multi-scale characterization of deformation twins in Ti6Al4V sheet material deformed by simple shear Type A1 Journal article
Year 2010 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 527 Issue 16/17 Pages 4136-4145
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Ti6Al4V sheet material is subjected to simple shear deformation with strain ratio's of 10%, 30% and 50%. Optical microscopy, transmission electron microscopy and electron backscatter diffraction techniques are applied to study the presence and morphology of deformation twins. Only the View the MathML source type of twins seems to be present with a volume fraction below 1%. These View the MathML source twins show a high density of basal stacking faults of the ABABACAC type identified using atomic resolution transmission electron microscopy. A resolved shear stress analysis shows that twins most often occur on those planes with the highest resolved shear stresses, but that the starting texture is not beneficial for the occurrence of twins. It is further suggested that a transitory strain hardening regime observed around 530 MPa might be related with the onset of twinning.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000278766800068 Publication Date 2010-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 20 Open Access
Notes Iap Approved Most recent IF: 3.094; 2010 IF: 2.101
Call Number UA @ lucian @ c:irua:82291 Serial 2212
Permanent link to this record
 
 
Author Rotaru, G.-M.; Schryvers, D.
Title New (3(3)under-bar) long-period microtwin variant in the martensitic phase of the PtTi alloy Type A1 Journal article
Year 2008 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 481 Issue Si Pages 437-441
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000255716100090 Publication Date 2007-06-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 3 Open Access
Notes Multimat Approved Most recent IF: 3.094; 2008 IF: 1.806
Call Number UA @ lucian @ c:irua:69140 Serial 2300
Permanent link to this record
 
 
Author Tirry, W.; Schryvers, D.; Jorissen, K.; Lamoen, D.
Title Quantitative determination of the crystal structure of Ni4Ti3 precipitates Type A1 Journal article
Year 2006 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 438 Issue Pages 517-520
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000242900900112 Publication Date 2006-07-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 7 Open Access
Notes Mrtn-Ct-2004-505226 Approved Most recent IF: 3.094; 2006 IF: 1.490
Call Number UA @ lucian @ c:irua:61577 Serial 2752
Permanent link to this record
 
 
Author Udoh, K.-I.; El- Araby, A.M.; Tanaka, Y.; Hisatsune, K.; Yasuda, K.; Van Tendeloo, G.; van Landuyt, J.
Title Structural aspects of AuCu I or AuCu II and a cuboidal black configuration of f.c.c. disordered phase in AuCu-Pt and AuCu-Ag pseudobinary alloys Type A1 Journal article
Year 1995 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 203 Issue Pages 154-164
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos A1995TM62800016 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.567 Times cited 15 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:13298 Serial 3205
Permanent link to this record
 
 
Author Santamarta, R.; Schryvers, D.
Title Structure of multi-grain spherical particles in an amorphous Ti50Ni25Cu25 melt-spun ribbon Type A1 Journal article
Year 2004 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 378 Issue 1/2 Pages 143-147
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000223329900025 Publication Date 2004-04-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 5 Open Access
Notes Approved Most recent IF: 3.094; 2004 IF: 1.445
Call Number UA @ lucian @ c:irua:48784 Serial 3311
Permanent link to this record
 
 
Author Jimenez-Mena, N.; Jacques, P.J.; Ding, L.; Gauquelin, N.; Schryvers, D.; Idrissi, H.; Delannay, F.; Simar, A.
Title Enhancement of toughness of Al-to-steel Friction Melt Bonded welds via metallic interlayers Type A1 Journal article
Year 2019 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 740-741 Issue Pages 274-284
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The toughness of Al-to-steel welds decreases with increasing thickness of the intermetallic (IM) layer formed at the interface. Co plating has been added as interlayer in Al-to-steel Friction Melt Bonded (FMB) welds to control the nature and thickness of the IM layer. In comparison to a weld without interlayer, Co plating brings about a reduction of the thickness of the IM layer by 70%. The critical energy release rate of the crack propagating in the weld is used as an indicator of toughness. It is evaluated via an adapted crack propagation test using an energy conservation criterion. For a weld without interlayer, critical energy release rate is found to increase when the thickness of the intermetallic layer decreases. When the intermetallic layer is thick, the crack propagates in a brittle manner through the intermetallic whereas, at low layer thickness, the crack deviates and partially propagates through the Al plate, which causes an increase of toughness. The use of a Co interlayer brings about an increase of toughness by causing full deviation of the crack towards the Al plate.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000453494500029 Publication Date 2018-10-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 4 Open Access Not_Open_Access: Available from 25.10.2020
Notes The authors acknowledge the financial support of the Interuniversity Attraction Poles Program from the Belgian State through the Belgian Policy Agency, Belgium, contract IAP7/21 INTEMATE. N. Jimenez-Mena acknowledges the financial support of the (Fonds pour la formation à la recherchedans l'industrie et dans l'agriculture (FRIA), Belgium. A. Simar acknowledges the financial support of the (European Research Council – Starting Grant (ERC-StG), project ALUFIX, grant agreement no 716678. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS), Belgium. The authors also acknowledge M. Coulombier for the help provided in the measurement of the friction coefficient, and T. Pardoen and F. Lani for the fruitful discussions. Approved Most recent IF: 3.094
Call Number EMAT @ emat @c:irua:154866UA @ admin @ c:irua:154866 Serial 5061
Permanent link to this record
 
 
Author Samaee, V.; Sandfeld, S.; Idrissi, H.; Groten, J.; Pardoen, T.; Schwaiger, R.; Schryvers, D.
Title Dislocation structures and the role of grain boundaries in cyclically deformed Ni micropillars Type A1 Journal article
Year 2020 Publication Materials Science And Engineering A-Structural Materials Properties Microstructure And Processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 769 Issue Pages 138295
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Transmission electron microscopy and finite element-based dislocation simulations were combined to study the development of dislocation microstructures after cyclic deformation of single crystal and bicrystal Ni micropillars oriented for multi-slip. A direct correlation between large accumulation of plastic strain and the presence of dislocation cell walls in the single crystal micropillars was observed, while the presence of the grain boundary hampered the formation of wall-like structures in agreement with a smaller accumulated plastic strain. Automated crystallographic orientation and nanostrain mapping using transmission electron microscopy revealed the presence of lattice heterogeneities associated to the cell walls including long range elastic strain fields. By combining the nanostrain mapping with an inverse modelling approach, information about dislocation density, line orientation and Burgers vector direction was derived, which is not accessible otherwise in such dense dislocation structures. Simulations showed that the image forces associated with the grain boundary in this specific bicrystal configuration have only a minor influence on dislocation behavior. Thus, the reduced occurrence of “mature” cell walls in the bicrystal can be attributed to the available volume, which is too small to accommodate cell structures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000500373800018 Publication Date 2019-08-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0921-5093 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.4 Times cited 1 Open Access OpenAccess
Notes Financial support from the Flemish (FWO) and German Research Foundation (DFG) through the European M-ERA.NET project “FaSS” (Fatigue Simulation near Surfaces) under the grant numbers GA.014.13 N,SCHW855/5-1, and SA2292/2-1 is gratefully acknowledged. V.S. acknowledges the FWO research project G012012 N “Understanding nanocrystalline mechanical behaviour from structural investigations”. H.I. is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). S.S. acknowledges financial support from the European Research Council through the ERC Grant Agreement No. 759419 (MuDiLingo – A Multiscale Dislocation Language for Data- Driven Materials Science). Approved Most recent IF: 6.4; 2020 IF: 3.094
Call Number EMAT @ emat @c:irua:163475 Serial 5371
Permanent link to this record