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Records |
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Author |
Morsdorf, L.; Kashiwar, A.; Kübel, C.; Tasan, C.C. |
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Title |
Carbon segregation and cementite precipitation at grain boundaries in quenched and tempered lath martensite |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
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Volume |
862 |
Issue |
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Pages |
144369-21 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Tempering is widely applied to make carbon atoms beneficially rearrange in high strength steel microstructures after quenching; though the nano-scale interaction of carbon atoms with crystallographic defects is hard to experimentally observe. To improve, we investigate the redistribution of carbon atoms along martensite grain boundaries in a quenched and tempered low carbon steel. We observe the tempering-induced microstructural evolution by in-situ heating in a transmission electron microscope (TEM) and by compositional analysis through atom probe tomography (APT). Probe volumes for APT originate from a single martensite packet but in different tempering conditions, which is achieved via a sequential lift-out with in-between tempering treatments. The complementary use of TEM and APT provides crystallographic as well as chemical information on carbon segregation and subsequent carbide precipitation at martensite grain boundaries. The results show that the amount of carbon segregation to martensite grain boundaries is influenced by the boundary type, e.g. low-angle lath or high-angle block boundaries. Also, the growth behavior of cementite precipitates from grain boundary nucleation sites into neighboring martensite grains differs at low- and high-angle grain boundaries. This is due to the crystallographic constraints arising from the semi-coherent orientation relationship between cementite and adjacent martensite. We also show that slower quenching stabilizes thin retained austenite films between martensite grains because of enhanced carbon segregation during cooling. Finally, we demonstrate the effect of carbon redistribution along martensite grain boundaries on the mechanical properties. Here, we compare micro-scale Vickers hardness results from boundary-containing probe volumes to nanoindentation results from pure bulk martensite (boundary-free) probe volumes. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000905165700001 |
Publication Date |
2022-12-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.4 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6.4; 2023 IF: 3.094 |
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Call Number |
UA @ admin @ c:irua:192279 |
Serial |
7285 |
Permanent link to this record |
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Author |
Schryvers, D.; Potapov, P.; Santamarta, R.; Tirry, W. |
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Title |
Applications of advanced transmission electron microscopic techniques to Ni-Ti based shape memory materials |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
378 |
Issue |
1/2 |
Pages |
11-15 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000223329900003 |
Publication Date |
2004-03-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.094; 2004 IF: 1.445 |
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Call Number |
UA @ lucian @ c:irua:48783 |
Serial |
145 |
Permanent link to this record |
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Author |
Srivastava, A.K.; Yang, Z.; Schryvers, D.; van Hurnbeeck, J. |
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Title |
Effect of annealing on cold-rolled Ni-Ti alloys |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
481 |
Issue |
Si |
Pages |
594-597 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000255716100123 |
Publication Date |
2007-06-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
8 |
Open Access |
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Notes |
Fwo; G0465.05 |
Approved |
Most recent IF: 3.094; 2008 IF: 1.806 |
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Call Number |
UA @ lucian @ c:irua:69141 |
Serial |
797 |
Permanent link to this record |
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Author |
Yang, Z.Q.; Schryvers, D. |
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Title |
Electron energy-loss spectroscopy study of NiTi shape memory alloys |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
481 |
Issue |
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Pages |
214-217 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000255716100041 |
Publication Date |
2007-06-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
7 |
Open Access |
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Notes |
Gao |
Approved |
Most recent IF: 3.094; 2008 IF: 1.806 |
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Call Number |
UA @ lucian @ c:irua:69156 |
Serial |
934 |
Permanent link to this record |
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Author |
Bouvier, S.; Benmhenni, N.; Tirry, W.; Gregory, F.; Nixon, M.E.; Cazacu, O.; Rabet, L. |
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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 |
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Year |
2012 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
535 |
Issue |
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Pages |
12-21 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000301402400003 |
Publication Date |
2011-12-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
22 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.094; 2012 IF: 2.108 |
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Call Number |
UA @ lucian @ c:irua:97824 |
Serial |
1410 |
Permanent link to this record |
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Author |
Tirry, W.; Schryvers, D. |
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Title |
High resolution TEM study of Ni4Ti3 precipitates in austenitic Ni51Ti49 |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
378 |
Issue |
1/2 |
Pages |
157-160 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000223329900028 |
Publication Date |
2004-04-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
19 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.094; 2004 IF: 1.445 |
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Call Number |
UA @ lucian @ c:irua:48785 |
Serial |
1461 |
Permanent link to this record |
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Author |
Coghe, F.; Tirry, W.; Rabet, L.; Schryvers, D.; Van Houtte, P. |
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Title |
Importance of twinning in static and dynamic compression of a Ti-6Al-4V titanium alloy with an equiaxed microstructure |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
537 |
Issue |
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Pages |
1-10 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000301473300001 |
Publication Date |
2011-12-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
35 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.094; 2012 IF: 2.108 |
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Call Number |
UA @ lucian @ c:irua:97818 |
Serial |
1565 |
Permanent link to this record |
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Author |
Tirry, W.; Schryvers, D. |
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Title |
In situ transmission electron microscopy of stress-induced martensite with focus on martensite twinning |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
481 |
Issue |
Si |
Pages |
420-425 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000255716100087 |
Publication Date |
2007-06-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
22 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.094; 2008 IF: 1.806 |
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Call Number |
UA @ lucian @ c:irua:69139 |
Serial |
1586 |
Permanent link to this record |
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Author |
Schryvers, D.; Holland-Moritz, D. |
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Title |
Martensitic transformations and microstructures in splat-cooled Ni-Al |
Type |
A1 Journal article |
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Year |
1999 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
273/275 |
Issue |
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Pages |
697-702 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000084560400122 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.094; 1999 IF: 0.943 |
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Call Number |
UA @ lucian @ c:irua:29380 |
Serial |
1949 |
Permanent link to this record |
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Author |
Schryvers, D.; Tirry, W.; Yang, Z.Q.; |
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Title |
Measuring strain fields and concentration gradients around Ni4Ti3 precipitates |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Materials science and engineering A: structural materials properties microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
438 |
Issue |
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Pages |
485-488 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000242900900105 |
Publication Date |
2006-07-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
35 |
Open Access |
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Notes |
Goa |
Approved |
Most recent IF: 3.094; 2006 IF: 1.490 |
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Call Number |
UA @ lucian @ c:irua:62329 |
Serial |
1969 |
Permanent link to this record |
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Author |
Tirry, W.; Coghe, F.; Bouvier, S.; Gasperini, M.; Rabet, L.; Schryvers, D. |
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Title |
A multi-scale characterization of deformation twins in Ti6Al4V sheet material deformed by simple shear |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
527 |
Issue |
16/17 |
Pages |
4136-4145 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000278766800068 |
Publication Date |
2010-03-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
20 |
Open Access |
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Notes |
Iap |
Approved |
Most recent IF: 3.094; 2010 IF: 2.101 |
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Call Number |
UA @ lucian @ c:irua:82291 |
Serial |
2212 |
Permanent link to this record |
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Author |
Rotaru, G.-M.; Schryvers, D. |
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Title |
New (3(3)under-bar) long-period microtwin variant in the martensitic phase of the PtTi alloy |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
481 |
Issue |
Si |
Pages |
437-441 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000255716100090 |
Publication Date |
2007-06-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
3 |
Open Access |
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Notes |
Multimat |
Approved |
Most recent IF: 3.094; 2008 IF: 1.806 |
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Call Number |
UA @ lucian @ c:irua:69140 |
Serial |
2300 |
Permanent link to this record |
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Author |
Tirry, W.; Schryvers, D.; Jorissen, K.; Lamoen, D. |
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Title |
Quantitative determination of the crystal structure of Ni4Ti3 precipitates |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
438 |
Issue |
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Pages |
517-520 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000242900900112 |
Publication Date |
2006-07-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.094 |
Times cited |
7 |
Open Access |
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Notes |
Mrtn-Ct-2004-505226 |
Approved |
Most recent IF: 3.094; 2006 IF: 1.490 |
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Call Number |
UA @ lucian @ c:irua:61577 |
Serial |
2752 |
Permanent link to this record |
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Author |
Udoh, K.-I.; El- Araby, A.M.; Tanaka, Y.; Hisatsune, K.; Yasuda, K.; Van Tendeloo, G.; van Landuyt, J. |
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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 |
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Year |
1995 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
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Volume |
203 |
Issue |
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Pages |
154-164 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
A1995TM62800016 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.567 |
Times cited |
15 |
Open Access |
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Notes |
|
Approved |
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Call Number |
UA @ lucian @ c:irua:13298 |
Serial |
3205 |
Permanent link to this record |
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Author |
Santamarta, R.; Schryvers, D. |
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Title |
Structure of multi-grain spherical particles in an amorphous Ti50Ni25Cu25 melt-spun ribbon |
Type |
A1 Journal article |
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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) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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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 |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000457856900023 |
Publication Date |
2018-12-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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|
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 |
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Author |
Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y. |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000519576300001 |
Publication Date |
2020-02-08 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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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 |
Permanent link to this record |
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Author |
Mobaraki, A.; Kandemir, A.; Yapicioglu, H.; Gulseren, O.; Sevik, C. |
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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 |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000424902300013 |
Publication Date |
2017-12-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0927-0256 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ admin @ c:irua:193774 |
Serial |
8729 |
Permanent link to this record |
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Author |
Hassani, N.; Yagmurcukardes, M.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Chlorinated phosphorene for energy application |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Computational materials science |
Abbreviated Journal |
|
|
Volume |
231 |
Issue |
|
Pages |
112625-112628 |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001110003400001 |
Publication Date |
2023-11-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0927-0256 |
ISBN |
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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 |
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Author |
Hassani, N.; Movafegh-Ghadirli, A.; Mahdavifar, Z.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Two new members of the covalent organic frameworks family : crystalline 2D-oxocarbon and 3D-borocarbon structures |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Computational materials science |
Abbreviated Journal |
|
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Volume |
241 |
Issue |
|
Pages |
1-9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001215960700001 |
Publication Date |
2024-04-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
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 |
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Author |
Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. |
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Title |
Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
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Volume |
95 |
Issue |
|
Pages |
579-591 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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). |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000343781700077 |
Publication Date |
2014-09-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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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 |
Permanent link to this record |
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Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
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Title |
Stability and structures of the CFCC-TmC phases : a first-principles study |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
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Volume |
51 |
Issue |
1 |
Pages |
146-150 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000296214300020 |
Publication Date |
2011-08-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0927-0256; |
ISBN |
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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 |
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Call Number |
UA @ lucian @ c:irua:93277 |
Serial |
3119 |
Permanent link to this record |
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Author |
Vasiliev, A.L.; Stepantsov, E.A.; Ivanov, Z.G.; Olsson, E.; Verbist, K.; Van Tendeloo, G. |
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Title |
Structure of artificial grain boundaries in sapphire bicrystals with intermediate layers |
Type |
A1 Journal article |
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Year |
1997 |
Publication |
Interface science |
Abbreviated Journal |
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Volume |
5 |
Issue |
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Pages |
223-230 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Kluwer |
Place of Publication |
Boston |
Editor |
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Language |
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Wos |
A1997YJ98600002 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0927-7056 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
3 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:21451 |
Serial |
3307 |
Permanent link to this record |
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Author |
Liu, S.; Wei, M.; Sui, X.; Cheng, X.; Cool, P.; Van Tendeloo, G. |
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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 |
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Volume |
49 |
Issue |
3 |
Pages |
373-379 |
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Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Kluwer |
Place of Publication |
Dordrecht |
Editor |
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Language |
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Wos |
000263260100015 |
Publication Date |
2008-12-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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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 |
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Call Number |
UA @ lucian @ c:irua:74962 |
Serial |
2941 |
Permanent link to this record |
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Author |
Voss, A.; Wei, H.Y.; Zhang, Y.; Turner, S.; Ceccone, G.; Reithmaier, J.P.; Stengl, M.; Popov, C. |
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Title |
Strong attachment of circadian pacemaker neurons on modified ultrananocrystalline diamond surfaces |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
Mat Sci Eng C-Mater |
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Volume |
64 |
Issue |
64 |
Pages |
278-285 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000376547700033 |
Publication Date |
2016-03-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0928-4931 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.164 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.164 |
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Call Number |
UA @ lucian @ c:irua:134164 |
Serial |
4251 |
Permanent link to this record |
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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. |
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Title |
Morphology and the chemical make-up of the inorganic components of black corals |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
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Volume |
29 |
Issue |
3 |
Pages |
1029-1038 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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. |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
000266520400065 |
Publication Date |
2008-09-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0928-4931 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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no |
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Call Number |
UA @ admin @ c:irua:76024 |
Serial |
8284 |
Permanent link to this record |
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Author |
Jain, R.; Rather, J.A.; Dwivedi, A. |
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Title |
Voltammetric behaviour of nitroxazepine in solubilized system and biological fluids |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
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Volume |
31 |
Issue |
2 |
Pages |
230-237 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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. |
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Place of Publication |
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Wos |
000286707900024 |
Publication Date |
2010-09-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0928-4931 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:98685 |
Serial |
8743 |
Permanent link to this record |
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Author |
Khalil-Allafi, J.; Amin-Ahmadi, B.; Zare, M. |
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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 |
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Year |
2010 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
Mat Sci Eng C-Mater |
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Volume |
30 |
Issue |
8 |
Pages |
1112-1117 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000282905600006 |
Publication Date |
2010-06-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0928-4931; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.164 |
Times cited |
34 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.164; 2010 IF: 2.180 |
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Call Number |
UA @ lucian @ c:irua:122039 |
Serial |
242 |
Permanent link to this record |
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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.; |
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Title |
Catalyst traces and other impurities in chemically purified carbon nanotubes grown by CVD |
Type |
A1 Journal article |
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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 |
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Volume |
19 |
Issue |
1-2 |
Pages |
9-13 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000173080700003 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0928-4931; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.164 |
Times cited |
36 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.164; 2002 IF: 0.734 |
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Call Number |
UA @ lucian @ c:irua:102835 |
Serial |
289 |
Permanent link to this record |