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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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
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	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	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	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:202125			Serial	9008
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	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
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	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	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
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	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	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
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	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	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
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	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	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
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	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	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
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	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	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
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	Author	Khalil-Allafi, J.; Amin-Ahmadi, B.; Zare, M.
	Title	Biocompatibility and corrosion behavior of the shape memory NiTi alloy in the physiological environments simulated with body fluids for medical applications			Type	A1 Journal article
	Year	2010	Publication	Materials science and engineering: part C: biomimetic materials	Abbreviated Journal	Mat Sci Eng C-Mater
	Volume	30	Issue	8	Pages	1112-1117
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Due to unique properties of NiTi shape memory alloys such as high corrosion resistance, biocompatibility, super elasticity and shape memory behavior, NiTi shape memory alloys are suitable materials for medical applications. Although TiO2 passive layer in these alloys can prevent releasing of nickel to the environment, high nickel content and stability of passive layer in these alloys are very debatable subjects. In this study a NiTi shape memory alloy with nominal composition of 50.7 atom% Ni was investigated by corrosion tests. Electrochemical tests were performed in two physiological environments of Ringer solution and NaCl 0.9% solution. Results indicate that the breakdown potential of the NiTi alloy in NaCl 0.9% solution is higher than that in Ringer solution. The results of Scanning Electron Microscope (SEM) reveal that low pitting corrosion occurred in Ringer solution compared with NaCl solution at potentiostatic tests. The pH value of the solutions increases after the electrochemical tests. The existence of hydride products in the X-ray diffraction analysis confirms the decrease of the concentration of hydrogen ion in solutions. Topographical evaluations show that corrosion products are nearly same in all samples. The biocompatibility tests were performed by reaction of mouse fibroblast cells (L929). The growth and development of cells for different times were measured by numbering the cells or statistics investigations. The figures of cells for different times showed natural growth of cells. The different of the cell numbers between the test specimen and control specimen was negligible; therefore it may be concluded that the NiTi shape memory alloy is not toxic in the physiological environments simulated with body fluids.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000282905600006	Publication Date	2010-06-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0928-4931;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.164	Times cited	34	Open Access
	Notes				Approved	Most recent IF: 4.164; 2010 IF: 2.180
	Call Number	UA @ lucian @ c:irua:122039			Serial	242
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	Author	Biró, L.P.; Khanh, N.Q.; Vértesy, Z.; Horváth, Z.E.; Osváth, Z.; Koós, A.; Gyulai, J.; Kocsonya, A.; Kónya, Z.; Zhang, X.B.; Van Tendeloo, G.; Fonseca, A.; Nagy, J.B.;
	Title	Catalyst traces and other impurities in chemically purified carbon nanotubes grown by CVD			Type	A1 Journal article
	Year	2002	Publication	Materials science and engineering: part C: biomimetic materials T2 – EMRS Spring Meeting, JUN 05-08, 2001, STRASBOURG, FRANCE	Abbreviated Journal	Mat Sci Eng C-Mater
	Volume	19	Issue	1-2	Pages	9-13
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Multiwall carbon nanotubes grown by the catalytic decomposition of acetylene over supported Co catalyst were subjected to wet and dry oxidation in order to remove the unwanted products and the catalyst traces. The effects of the purification treatment on the Co content was monitored by physical methods: Rutherford Backscattering Spectrometry (RBS). Particle Induced X-Ray Emission (PIXE) and X-Ray Fluorescence (XRF). The purified products were investigated by microscopic methods: TEM. Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDS) and STM. The KMnO4/H2SO4 aqueous oxidation procedure was found to be effective in reducing the Co content while damaging only moderately the outer wall of the nanotubes. Treatment in HNO3/H2SO4 yields a bucky-paper like product and produces the increase of the Si and S content of the sample. (C) 2002 Elsevier Science B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000173080700003	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0928-4931;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.164	Times cited	36	Open Access
	Notes				Approved	Most recent IF: 4.164; 2002 IF: 0.734
	Call Number	UA @ lucian @ c:irua:102835			Serial	289
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	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	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
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	Author	Kardel, F.; Wuyts, K.; De Wael, K.; Samson, R.
	Title	Biomonitoring of atmospheric particulate pollution via chemical composition and magnetic properties of roadside tree leaves			Type	A1 Journal article
	Year	2018	Publication	Environmental Science and Pollution Research	Abbreviated Journal	Environ Sci Pollut R
	Volume	25	Issue	26	Pages	25994-26004
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Particulate matter (PM) is a main atmospheric pollution which threats human health and well-being. In this research, we chemically and magnetically analysed roadside tree leaves, collected from three tree species in two main roads (from two different cities) and a reference area, for 28 elements and the saturation isothermal remanent magnetisation. Comparison of unwashed and washed leaves revealed that deposited particles on the leaf surface contain various elements including Al, Ca, Fe, Mg, Mn, Na, Si, Ti, Ba, Co, Cr, Cu, Ni, Rb, V, Zn and Zr. Moreover, there was no significant difference between washed/unwashed leaves in Cl, K, P, S, As, Cd, Cs, Pb, Sn and Sr concentrations, which indicates tree leaves may not be a suitable biomonitor for these elements. Our results showed that site and tree species are important factors which affect atmospheric elements deposition. Among the three considered tree species, Chamaecyparis lawsoniana showed the highest potential for atmospheric particle accumulation. The PCA results revealed that Al, Fe, Ti, Co, Cr, Cu, Ni, Rb, Si, V, Zn and Zr indicated emissions from road traffic activities and soil dust; Ca, Mg and Na from sea salts and Mn and Sb from industrial activity. The biplot results showed that the site effect was much stronger than the species effect for all elements and saturation isothermal remanent magnetisation (SIRM) values. Moreover, elements from traffic, industrial activity and soil dust are significantly correlated with leaf SIRM indicating that leaf SIRM can be a suitable bioindicator of exposure to traffic-derived particles and soil dust, and not from sea salts. It is concluded that chemical composition and SIRM of urban tree leaves can serve as a good indicator of atmospheric PM pollution in Iran and anywhere else where the studied trees grow.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000443329100034	Publication Date	2018-07-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0944-1344; 1614-7499	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.741	Times cited	6	Open Access
	Notes	; ;			Approved	Most recent IF: 2.741
	Call Number	UA @ admin @ c:irua:153669			Serial	5489
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	Author	Anaf, W.; Horemans, B.; Madeira, T.I.; Carvalho, M.L.; De Wael, K.; Van Grieken, R.
	Title	Effects of a constructional intervention on airborne and deposited particulate matter in the Portuguese National Tile Museum, Lisbon			Type	A1 Journal article
	Year	2013	Publication	Environmental Science and Pollution Research	Abbreviated Journal	Environ Sci Pollut R
	Volume	20	Issue	3	Pages	1849-1857
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	In the 1970s, a large ambulatory of the National Tile Museum, Lisbon, was closed with glass panes on both ground and first floor. Although this design was meant to protect the museum collection from ambient air pollutants, small openings between the glass panes remain, creating a semi-enclosed corridor. The effects of the glass panes on the indoor air quality were evaluated in a comparative study by monitoring the airborne particle concentration and the extent of particle deposition at the enclosed corridor as well as inside the museum building. Comparison of the indoor/outdoor ratio of airborne particle concentration demonstrated a high natural ventilation rate in the enclosed corridor as well as inside the museum building. PM10 deposition velocities on vertical surfaces were estimated in the order of 3 × 10−4 m s−1 for both indoor locations. Also, the deposition rates of dark-coloured and black particles in specific were very similar at both indoor locations, causing visual degradation. The effectiveness of the glass panes in protecting the museum collection is discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000315442500061	Publication Date	2012-07-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0944-1344; 1614-7499	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.741	Times cited	15	Open Access
	Notes	; ;			Approved	Most recent IF: 2.741; 2013 IF: 2.757
	Call Number	UA @ admin @ c:irua:100214			Serial	5583
Permanent link to this record