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Author |
Boullay, P.; Schryvers, D.; Ball, J.M. |
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Title  |
Nano-structures at martensite macrotwin interfaces in Ni65Al35 |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
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Volume |
51 |
Issue |
5 |
Pages |
1421-1436 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The atomic configurations at macrotwin interfaces between microtwinned martensite plates in Ni65Al35 material are investigated using transmission electron microscopy. The observed structures are interpreted in view of possible formation mechanisms for these interfaces. A distinction is made between cases in which the microtwins, originating from mutually perpendicular {110} austenite planes, enclose a final angle larger or smaller than 90degrees. Two different configurations, a crossing and a step type are described. Depending on the actual case, tapering, bending and tip splitting of the smaller microtwinvariants are observed. The most reproducible deformations occur in a region of approximately 5-10 nm width around the interface while a variety of structural defects are observed further away from the interface. These structures and deformations are interpreted in terms of the coalescence of two separately nucleated microtwinned martensite plates and the need to accommodate remaining stresses. (C) 2003 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved. |
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Corporate Author |
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Thesis |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000181677700018 |
Publication Date |
2003-03-14 |
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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 |
1359-6454; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.301 |
Times cited |
31 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.301; 2003 IF: 3.059 |
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Call Number |
UA @ lucian @ c:irua:48364 |
Serial |
2248 |
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Author |
Li, W.; Hu, Z.-Y.; Zhang, Z.; Wei, P.; Zhang, J.; Pu, Z.; Zhu, J.; He, D.; Mu, S.; Van Tendeloo, G. |
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Title |
Nano-single crystal coalesced PtCu nanospheres as robust bifunctional catalyst for hydrogen evolution and oxygen reduction reactions |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of catalysis |
Abbreviated Journal |
J Catal |
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Volume |
375 |
Issue |
375 |
Pages |
164-170 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Because of high electrocatalytic activity, Pt based metal nanospheres (NSs) have attracted a lot of attention. Hence, multi-particle nano-single crystal coalesced PtCu NSs are designed and successfully synthesized by a cost-effective aqueous solution method. The formed PtCu NS catalyst exhibits a superior hydrogen evolution reaction (HER) electrocatalytic activity with an ultralow onset potential of 18 mV at the current density of 2 mA/cm(2) and high mass activity of 1.08 A/mg(pt) (7.2 times higher than that of commercial Pt/C catalysts). Also, it shows an enhancement of 3.2 and 2.7 times in the mass and specific activities toward oxygen reduction reaction (ORR) compared to that of Pt/C. Moreover, it possesses an excellent catalytic durability for both ORR and HER. Even after 10,000 cycles, its ORR mass activity retains 87% of its initial value. The density functional theory (DFT) calculations demonstrate that by introducing Cu atoms into the Pt lattice, a downshift of the D-band center and favorable hydrogen adsorption free energy of approaching to zero (Delta G) occur, indicating the increased electrocatalytic activity of Pt electrocatalysts. (C) 2019 Elsevier Inc. All rights reserved. |
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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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Wos |
000486104500017 |
Publication Date |
2019-06-13 |
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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 |
0021-9517 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.844 |
Times cited |
25 |
Open Access |
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Notes |
; Z-Y. Hu thank for the support of “the Fundamental Research Funds for the Central Universities (WUT: 2017111055, 2018111039GX, 2018IVA095)”. S. Mu and J. Zhang acknowledges the support from the National Natural Science Foundation of China (NSFC) through award Nos. 51672204 and 21875221 and the opening funds of State Key Laboratory of Advanced Technology for Materials Synthesis and Processing (2019-KF-13), Wuhan University of Technology. ; |
Approved |
Most recent IF: 6.844 |
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Call Number |
UA @ admin @ c:irua:162903 |
Serial |
5391 |
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Author |
Schryvers, D.; Shi, H.; Martinez, G.T.; Van Aert, S.; Frenzel, J.; Van Humbeeck, J. |
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Title |
Nano- and microcrystal investigations of precipitates, interfaces and strain fields in Ni-Ti-Nb by various TEM techniques |
Type |
P1 Proceeding |
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Year |
2013 |
Publication |
Materials science forum
T2 – 9th European Symposium on Martensitic Transformations (ESOMAT 2012), SEP 09-16, 2012, St Petersburg, RUSSIA |
Abbreviated Journal |
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Volume |
738/739 |
Issue |
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Pages |
65-71 |
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Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
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Abstract |
In the present contribution several advanced electron microscopy techniques are employed in order to describe chemical and structural features of the nano- and microstructure of a Ni45.5Ti45.5Nb9 alloy. A line-up of Nb-rich nano-precipitates is found in the Ni-Ti-rich austenite of as-cast material. Concentration changes of the matrix after annealing are correlated with changes in the transformation temperatures. The formation of rows and plates of larger Nb-rich precipitates and particles is described. The interaction of a twinned martensite plate with a Nb-rich nano-precipitate is discussed and the substitution of Nb atoms on the Ti-sublattice in the matrix is confirmed. |
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Corporate Author |
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Thesis |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000316089000011 |
Publication Date |
2013-03-11 |
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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 |
1662-9752; |
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 |
2 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:104692 |
Serial |
2247 |
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Author |
Sheng, X.; Daems, N.; Geboes, B.; Kurttepeli, M.; Bals, S.; Breugelmans, T.; Hubin, A.; Vankelecom, I.F.J.; Pescarmona, P.P. |
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Title |
N-doped ordered mesoporous carbons prepared by a two-step nanocasting strategy as highly active and selective electrocatalysts for the reduction of O2 to H2O2 |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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Volume |
176-177 |
Issue |
176-177 |
Pages |
212-224 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
A new, two-step nanocasting method was developed to prepare N-doped ordered mesoporous carbon (NOMC) electrocatalysts for the reduction of O2 to H2O2. Our strategy involves the sequential pyrolysis of two inexpensive and readily available N and C precursors, i.e. aniline and dihydroxynaphthalene (DHN), inside the pores of a SBA-15 hard silica template to obtain N-doped graphitic carbon materials with well-ordered pores and high surface areas (764 and 877 m2g−1). By tuning the ratio of carbon sources to silica template, it was possible to achieve an optimal filling of the pores of the SBA-15 silica and to minimise carbon species outside the pores. These NOMC materials displayed outstanding electrocatalytic activity in the oxygen reduction reaction, achieving a remarkably enhanced kinetic current density compared to state-of-the-art N-doped carbon materials (−16.7 mA cm−2 at −0.35 V vs. Ag/AgCl in a 0.1 M KOH solution as electrolyte). The NOMC electrocatalysts showed high selectivity toward the two-electron reduction of oxygen to hydrogen peroxide and excellent long-term stability. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000356549200022 |
Publication Date |
2015-04-05 |
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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 |
0926-3373; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
111 |
Open Access |
OpenAccess |
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Notes |
335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 9.446; 2015 IF: 7.435 |
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Call Number |
c:irua:125370 |
Serial |
2246 |
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Author |
Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M. |
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Title |
N-doped graphene : polarization effects and structural properties |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
93 |
Issue |
93 |
Pages |
174112 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The structural and mechanical properties of N-doped graphene (NG) are investigated using reactive force field (ReaxFF) potentials in large-scale molecular dynamics simulations. We found that ripples, which are induced by the dopants, change the roughness of NG, which depends on the number of dopants and their local arrangement. For any doping ratio N/C, the NG becomes ferroelectric with a net dipole moment. The formation energy increases nonlinearly with N/C ratio, while the Young's modulus, tensile strength, and intrinsic strain decrease with the number of dopants. Our results for the structural deformation and the thermoelectricity of the NG sheet are in good agreement with recent experiments and ab initio calculations. |
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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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Wos |
000376245900002 |
Publication Date |
2016-05-20 |
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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 |
2469-9950;2469-9969; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
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Notes |
; This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:134148 |
Serial |
4212 |
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Author |
Trincavelli, J.; Montoro, S.; van Espen, P.; Van Grieken, R. |
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Title |
M\alpha/L\alpha intensity ratios for Ta, W, Pt, Au, Pb and Bi for electron energies in the 11-40 keV range |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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Volume |
22 |
Issue |
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Pages |
372-376 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
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Abstract |
Both energy- and wavelength-dispersive systems were used to obtain Malpha/Lalpha intensity ratios for Ta, W, Pt, Au, Pb and Bi at various overvoltages. A table of these ratios corrected for matrix absorption and detector efficiency is presented, in addition to an interpolatory function of Malpha/Lalpha generated ratios vs. overvoltage, for each element. In addition, three different ZAF correction models were used to predict both detected and generated ratios. Finally, experimental Mbeta/Malpha ratios measured at different overvoltages are presented for the six elements considered. |
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Corporate Author |
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Place of Publication |
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Wos |
A1993MB01200008 |
Publication Date |
2005-05-28 |
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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 |
0049-8246 |
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:6221 |
Serial |
8649 |
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Author |
Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. |
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Title |
MXenes/graphene heterostructures for Li battery applications : a first principles study |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
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Volume |
6 |
Issue |
5 |
Pages |
2337-2345 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M = Sc, Ti, V and X = OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking configurations of M2CX2/graphene bilayer heterostructures and their Li atom intercalation by calculating the Li binding energy, diffusion barrier and voltage. We found that: (1) for the ground state stacking, the interlayer binding is strong, yet the interlayer friction is small; (2) Li binds more strongly to the O-terminated monolayer, bilayer and heterostructure MXene systems when compared with the OHterminated MXenes due to the H+ induced repulsion to the Li atoms. The binding energy of Li decreases as the Li concentration increases due to enhanced repulsive interaction between the positively charged Li ions; (3) Ti2CO2/graphene and V2CO2/graphene heterostructures exhibit large Li atom binding energies making them the most promising candidates for battery applications. When fully loaded with Li atoms, the binding energy is -1.43 eV per Li atom and -1.78 eV per Li atom for Ti2CO2/graphene and V2CO2/graphene, respectively. These two heterostructures exhibit a nice compromise between storage capacity and kinetics. For example, the diffusion barrier of Li in Ti2CO2/graphene is around 0.3 eV which is comparable to that of graphite. Additionally, the calculated average voltages are 1.49 V and 1.93 V for Ti2CO2/graphene and V2CO2/graphene structures, respectively; (4) a small change in the in-plane lattice parameters (<1%), interatomic bond lengths and interlayer distances (<0.5 angstrom) proves the stability of the heterostructures against Li intercalation, and the impending phase separation into constituent layers and capacity fading during charge-discharge cycles in real battery applications; (5) as compared to bare M2CX2 bilayers, M2CX2/graphene heterostructures have lower molecular mass, offering high storage capacity; (6) the presence of graphene ensures good electrical conductivity that is essential for battery applications. Given these advantages, Ti2CO2/graphene and V2CO2/graphene heterostructures are predicted to be promising for lithium-ion battery 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 |
Cambridge |
Editor |
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Language |
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Wos |
000423981200049 |
Publication Date |
2018-01-02 |
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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 |
2050-7488; 2050-7496 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.867 |
Times cited |
131 |
Open Access |
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Notes |
; This work was supported by the bilateral project between the Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by the TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from the TUBITAK (Grant No. 115F024 and 116F080). Part of this work was supported by the BAGEP Award of the Science Academy. ; |
Approved |
Most recent IF: 8.867 |
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Call Number |
UA @ lucian @ c:irua:149265UA @ admin @ c:irua:149265 |
Serial |
4945 |
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Author |
Kamaraj, B.; Purohit, R. |
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Title |
Mutational Analysis on Membrane Associated Transporter Protein (MATP) and Their Structural Consequences in Oculocutaeous Albinism Type 4 (OCA4)A Molecular Dynamics Approach |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of cellular biochemistry |
Abbreviated Journal |
J Cell Biochem |
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Volume |
117 |
Issue |
11 |
Pages |
2608-2619 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
000383626800017 |
Publication Date |
2016-03-28 |
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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 |
0730-2312 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.085 |
Times cited |
28 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.085 |
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Call Number |
UA @ lucian @ c:irua:144634 |
Serial |
4671 |
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Author |
Vast, L.; Carpentier, L.; Lallemand, F.; Colomer, J.-F.; Van Tendeloo, G.; Fonseca, A.; Nagy, J.B.; Mekhalif, Z.; Delhalle, J. |
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Title |
Multiwalled carbon nanotubes functionalized with 7-octenyltrichlorosilane and n-octyltrichlorosilane: dispersion in Sylgard®184 silicone and Youngs modulus |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of materials science |
Abbreviated Journal |
J Mater Sci |
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Volume |
44 |
Issue |
13 |
Pages |
3476-3482 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Sylgard®184/multiwalled carbon nanotube (MWNT) composites have been prepared by in situ polymerization using purified and functionalized multiwalled carbon nanotubes (f-MWNTs) as fillers. Surface modification of the MWNTs has been carried out by silanization with 7-octenyltrichlorosilane (7OTCS) and n-octyltrichlorosilane (nOTCS). The modification and dispersion of the carbon nanotubes in composites were characterized by X-ray photoelectron spectroscopy (XPS), transmission electron spectroscopy (TEM), and high-resolution transmission electron spectroscopy (HRTEM). Youngs modulus results were derived from indentation testing. It is shown that the terminal-vinyl group of 7OTCS molecules plays an essential role for both the dispersion of the f-MWNTs in the composite and its mechanical properties. At loading as low as 0.2 wt%, the Youngs modulus is shown to increase up to 50%. This is interpreted as resulting from a combination of the good compatibility in the forming silicone matrix of the MWNTs coated with a siloxane network, on the one hand, and the covalent links created between the terminal-vinyl groups and the host matrix in formation, on the other hand. |
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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 |
London |
Editor |
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Language |
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Wos |
000267153200022 |
Publication Date |
2009-04-20 |
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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 |
0022-2461;1573-4803; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.599 |
Times cited |
16 |
Open Access |
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Notes |
Iuap |
Approved |
Most recent IF: 2.599; 2009 IF: 1.471 |
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Call Number |
UA @ lucian @ c:irua:77844 |
Serial |
2245 |
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Author |
Baelus, B.J.; Kanda, A.; Shimizu, N.; Tadano, K.; Ootuka, Y.; Kadowaki, K.; Peeters, F.M. |
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Title |
Multivortex and giant vortex states near the expulsion and penetration fields in thin mesoscopic superconducting squares |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
73 |
Issue |
2 |
Pages |
024514,1-9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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 |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000235009300093 |
Publication Date |
2006-01-31 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
35 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
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Call Number |
UA @ lucian @ c:irua:56614 |
Serial |
2244 |
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Author |
Hai; Studart; Peeters, F.M. |
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Title |
Multisubband electron-transport in delta-doped semiconductor systems |
Type |
A1 Journal article |
| |
Year |
1995 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
52 |
Issue |
11 |
Pages |
8363-8371 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The electron transport properties in delta-doped semiconductor systems-are studied. The subband electronic structure of the delta-doped system is obtained by solving the coupled Schrodinger and Poisson equations. The screening of the quasi-two-dimensional electron gas is taken into account for the ionized impurity scattering through the matrix dielectric function within the random-phase approximation. The quantum and transport mobilities are calculated numerically as a function of the total electron density and the width of the doped layer at zero temperature. The intersubband scattering and the effect of empty subbands above the Fermi level on the electron mobilities are investigated. The calculated mobilities are in reasonable agreement with the available experimental results. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
A1995RV81800091 |
Publication Date |
2002-07-27 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.736 |
Times cited |
67 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:95353 |
Serial |
2243 |
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| Permanent link to this record |
| |
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| |
|
Author |
Hai, G.Q.; Studart, N.; Peeters, F.M. |
|
| |
Title |
Multisubband electron transport in δ-doped semiconductor systems |
Type |
A1 Journal article |
| |
Year |
1995 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
52 |
Issue |
|
Pages |
8363-8371 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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 |
Lancaster, Pa |
Editor |
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| |
Language |
|
Wos |
A1995RV81800091 |
Publication Date |
0000-00-00 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121; 0163-1829 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.736 |
Times cited |
65 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:12194 |
Serial |
2242 |
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| Permanent link to this record |
| |
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| |
|
Author |
Tomecka, D.; Partoens, B.; Peeters, F.M. |
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| |
Title |
Multistep radial melting in small two-dimensional classical clusters |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
|
| |
Volume |
71 |
Issue |
|
Pages |
062401,1-4 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We report on a molecular dynamics study of small classical two-dimensional clusters with ringlike configurations. We focus on the particles motion at low temperatures before the radial and angular melting sets in. It is shown that in magic number configurations a local radial melting of subshells occur, which is related to the intershell rotation. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
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| |
Language |
|
Wos |
000230274500084 |
Publication Date |
2005-06-23 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.366 |
Times cited |
11 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.366; 2005 IF: 2.418 |
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| |
Call Number |
UA @ lucian @ c:irua:62447 |
Serial |
2241 |
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| Permanent link to this record |
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| |
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Author |
de Witte, K.; Cool, P.; de Witte, I.; Ruys, L.; Rao, J.; Van Tendeloo, G.; Vansant, E.F. |
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| |
Title |
Multistep loading of titania nanoparticles in the mesopores of SBA-15 for enhanced photocatalytic activity |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Journal of nanoscience and nanotechnology |
Abbreviated Journal |
J Nanosci Nanotechno |
|
| |
Volume |
7 |
Issue |
7 |
Pages |
2511-2515 |
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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 |
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| |
Address |
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000246347700042 |
Publication Date |
2007-04-05 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1533-4880;0000-0000; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.483 |
Times cited |
13 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.483; 2007 IF: 1.987 |
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| |
Call Number |
UA @ lucian @ c:irua:64773 |
Serial |
2240 |
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| Permanent link to this record |
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| |
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Author |
Abreu, Y.; Cruz, C.M.; van Espen, P.; Piñera, I.; Leyva, A.; Cabal, A.E. |
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| |
Title |
Multiscale modeling of radiation damage and annealing in Si samples implanted with 57-Mn radioactive ions |
Type |
P1 Proceeding |
| |
Year |
2011 |
Publication |
IEEE conference record
T2 – IEEE Nuclear Science Symposium/Medical Imaging Conference (NSS/MIC)/18th, International Workshop on Room-Temperature Semiconductor X-Ray and, Gamma-Ray Detectors, OCT 23-29, 2011, Valencia, SPAIN |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
1754-1756 |
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| |
Keywords |
P1 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
The radiation damage created in silicon materials by Mn-57 -> Fe-57 ion implantation has been studied and characterized by Mossbauer spectroscopy showing four main lines, assigned to: substitutional, interstitial and damaged configuration sites of the implanted ions. Nevertheless, the Mossbauer spectrum of Fe-57 in this materials remains with some ambiguous identification regarding the implantation configurations before and after annealing, specially the damaged configurations and its evolution. In the present work some possible implantation configurations are suggested and evaluated using a multiscale approach by Monte Carlo ion transport and electronic structure calculations within DFT. The proposed implantation environments were evaluated in terms of stability and the Fe-57 hyperfine parameters were calculated to establish the connections with the experimental observations. Good agreement was found between the experimental and the calculated hyperfine parameters for some configurations; suggesting which ones could be the implantation environments before and after sample annealing. |
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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 |
000304755601202 |
Publication Date |
|
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
978-1-4673-0120-6 |
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:113073 |
Serial |
8289 |
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| Permanent link to this record |
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| |
|
Author |
Vanraes, P.; Parayil Venugopalan, S.; Bogaerts, A. |
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| |
Title |
Multiscale modeling of plasma–surface interaction—General picture and a case study of Si and SiO2etching by fluorocarbon-based plasmas |
Type |
A1 Journal Article |
| |
Year |
2021 |
Publication |
Applied Physics Reviews |
Abbreviated Journal |
Appl Phys Rev |
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| |
Volume |
8 |
Issue |
4 |
Pages |
041305 |
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| |
Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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| |
Abstract |
The physics and chemistry of plasma–surface interaction is a broad domain relevant to various applications and several natural processes, including plasma etching for microelectronics fabrication, plasma deposition, surface functionalization, nanomaterial synthesis, fusion reactors, and some astrophysical and meteorological phenomena. Due to their complex nature, each of these processes is generally investigated in separate subdomains, which are considered to have their own theoretical, modeling, and experimental challenges. In this review, however, we want to emphasize the overarching nature of plasma–surface interaction physics and chemistry, by focusing on the general strategy for its computational simulation. In the first half of the review, we provide a menu card with standard and less standardized computational methods to be used for the multiscale modeling of the underlying processes. In the second half, we illustrate the benefits and potential of the multiscale modeling strategy with a case study of Si and SiO2 etching by fluorocarbon plasmas and identify the gaps in knowledge still present on this intensely investigated plasma–material combination, both on a qualitative and quantitative level. Remarkably, the dominant etching mechanisms remain the least understood. The resulting new insights are of general relevance, for all plasmas and materials, including their various applications. We therefore hope to motivate computational and experimental scientists and engineers to collaborate more intensely on filling the existing gaps in knowledge. In this way, we expect that research will overcome a bottleneck stage in the development and optimization of multiscale models, and thus the fundamental understanding of plasma–surface interaction. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000754799700001 |
Publication Date |
2021-10-07 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1931-9401 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
13.667 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
Asml; P. Vanraes acknowledges funding by ASML for the project “Computational simulation of plasma etching of trench structures.” P. Vanraes wishes to thank Violeta Georgieva and Stefan Tinck for the fruitful discussions on the HPEM code, Yu-Ru Zhang for an example of the CCP reactor code, and Karel Venken for his technical help with the server maintenance and use. P. Vanraes and A. Bogaerts want to express their gratitude to Mark J. Kushner (University of Michigan) for the sharing of the HPEM and MCFPM codes and for the interesting exchange of views. S. P. Venugopalan wishes to thank Sander Wuister, Coen Verschuren, Michael Kubis, Mohammad Kamali, |
Approved |
Most recent IF: 13.667 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:183287 |
Serial |
6814 |
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| Permanent link to this record |
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| |
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Author |
Gong, X.; Marmy, P.; Volodin, A.; Amin-Ahmadi, B.; Qin, L.; Schryvers, D.; Gavrilov, S.; Stergar, E.; Verlinden, B.; Wevers, M.; Seefeldt, M. |
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| |
Title |
Multiscale investigation of quasi-brittle fracture characteristics in a 9Cr–1Mo ferritic–martensitic steel embrittled by liquid lead–bismuth under low cycle fatigue |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Corrosion science |
Abbreviated Journal |
|
|
| |
Volume |
102 |
Issue |
102 |
Pages |
137-152 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Liquid metal embrittlement (LME) induced quasi-brittle fracture characteristics of a 9Cr–1Mo ferritic–martensitic steel (T91) after fatigue cracking in lead–bismuth eutectic (LBE) have been investigated at various length scales. The results show that the LME fracture morphology is primarily characterized by quasi-brittle translath flat regions partially covered by nanodimples, shallow secondary cracks propagating along the martensitic lath boundaries as well as tear ridges covered by micro dimples. These diverse LME fracture features likely indicate a LME mechanism involving multiple physical processes, such as weakening induced interatomic decohesion at the crack tip and plastic shearing induced nano/micro voiding in the plastic zone. |
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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 |
000367275700014 |
Publication Date |
2015-10-22 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0010938X |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
16 |
Open Access |
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| |
Notes |
The work is financially supported by the MYRRHA project,SCK•CEN, Belgium and partly funded by the European AtomicEnergy Community’s (Euratom) Seventh Framework ProgrammeFP7/2007-2013 under grant agreement No. 604862 (MatISSEproject) and in the framework of the EERA (European EnergyResearch Alliance) Joint Programme on Nuclear Materials. Dr. TomVan der Donck (KU Leuven) is acknowledged for the EBSD mea-surements. The authors are grateful to Dr. Van Renterghem Wouter(SCK•CEN) for fruitful discussion of the TEM results. Xing Gongsincerely acknowledges valuable suggestions from Dr. S.P. Lynch(Defence Science and Technology Organisation and Monash Uni-versity, Melbourne, Australia). |
Approved |
Most recent IF: NA |
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| |
Call Number |
c:irua:129997 |
Serial |
4013 |
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| Permanent link to this record |
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| |
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Author |
Renard, K.; Idrissi, H.; Schryvers, D.; Jacques, P.J. |
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| |
Title |
Multiscale characterization of the work hardening mechanisms in Fe-Mn based TWIP steels |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Steel research international |
Abbreviated Journal |
Steel Res Int |
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| |
Volume |
83 |
Issue |
4 |
Pages |
385-390 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
When strained in tension, high-manganese austenitic twinning induced plasticity (TWIP) steels achieve very high strength and elongation before necking. The main hypotheses available in the literature about the origin of their excellent work hardening include deformation twinning and dynamic strain ageing. In order to provide some answers, various experiments at different scales were conducted on FeMnC steels and the Fe28 wt%Mn3.5 wt%Al2.8 wt%Si alloy. At a macroscopic scale, tensile tests were performed on all the studied grades. It was shown that, though the FeMnAlSi based alloy retains very high elongation, the FeMnC steels properties are even more extraordinary. Tensile tests at different strain rates with the help of digital image correlation were also performed on the Fe20 wt%Mn1.2 wt%C steel to study the PLC effect occurring in this type of steel. It is suggested that supplementary hardening could come from reorientation of MnC pairs in the cores of the dislocations. At a microscopic scale, the Fe20 wt%Mn1.2 wt%C TWIP steel and the FeMnAlSi grade were thoroughly investigated by means of in situ TEM analysis. In the FeMnC steel, the formed twins could also lead to a composite effect, since they contain plenty of sessile dislocations. In the FeMnAlSi alloy, mechanical twins are thicker and contain fewer defects, leading to a lower work hardening than the other grade. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Verlag Stahleisen |
Place of Publication |
Düsseldorf |
Editor |
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| |
Language |
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Wos |
000302471600016 |
Publication Date |
2012-02-22 |
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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 |
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Edition |
|
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| |
ISSN |
1611-3683; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.235 |
Times cited |
12 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 1.235; 2012 IF: 0.493 |
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| |
Call Number |
UA @ lucian @ c:irua:97391 |
Serial |
2239 |
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| Permanent link to this record |
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| |
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Author |
Schryvers, D. |
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| |
Title |
Multiply twinned phases and microstructures in Ni-Al: a transmission electron microscopy study |
Type |
H3 Book chapter |
| |
Year |
1991 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
|
Issue |
|
Pages |
143-152 |
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Keywords |
H3 Book chapter; 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 |
s.l. |
Editor |
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Language |
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Wos |
|
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 |
|
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ lucian @ c:irua:48352 |
Serial |
2237 |
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| Permanent link to this record |
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| |
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Author |
Pauwels, B.; Bernaerts, D.; Amelinckx, S.; Van Tendeloo, G.; Joutsensaari, J.; Kauppinen, E.I. |
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Title |
Multiply twinned C60 and C70 nanoparticles |
Type |
A1 Journal article |
| |
Year |
1999 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
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| |
Volume |
200 |
Issue |
|
Pages |
126-136 |
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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 |
|
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000079840600018 |
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 |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0022-0248; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.751 |
Times cited |
17 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.751; 1999 IF: 1.492 |
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| |
Call Number |
UA @ lucian @ c:irua:29711 |
Serial |
2238 |
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| Permanent link to this record |
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| |
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Author |
Baelus, B.J.; Peeters, F.M. |
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Title |
Multiply connected mesoscopic superconductors |
Type |
A1 Journal article |
| |
Year |
2003 |
Publication |
Modern physics letters B
T2 – 3rd International Conference on Modern Problems in Superconductivity, SEP 09-14, 2002, YALTA, UKRAINE |
Abbreviated Journal |
Mod Phys Lett B |
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| |
Volume |
17 |
Issue |
10-12 |
Pages |
527-536 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Multiply connected mesoscopic: superconductors are considered within the framework of the nonlinear Ginzburg-Landau theory. The two coupled nonlinear equations are solved numerically and we investigated the properties of a superconducting ring, two concentric rings, and an asymmetric ring. We find that (i) for a mesoscopic superconducting ring the flux through the hole is not quantized, (ii) two concentric mesoscopic superconducting rings are magnetically coupled and the interaction energy increases with increasing sample thickness, and (iii) in asymmetric rings, a stationary phase slip state is predicted. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
World scientific publ co pte ltd |
Place of Publication |
Singapore |
Editor |
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| |
Language |
|
Wos |
000184303900016 |
Publication Date |
2003-07-23 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0217-9849;1793-6640; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
0.617 |
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 0.617; 2003 IF: 0.461 |
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| |
Call Number |
UA @ lucian @ c:irua:103810 |
Serial |
2236 |
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| Permanent link to this record |
| |
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| |
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Author |
Anisimovas, E.; Peeters, F.M. |
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| |
Title |
Multiply charged excitons in vertically coupled quantum dots |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
74 |
Issue |
24 |
Pages |
1-6 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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 |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
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| |
Language |
|
Wos |
000243195800088 |
Publication Date |
2006-12-22 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
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| |
Call Number |
UA @ lucian @ c:irua:62180 |
Serial |
2235 |
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| Permanent link to this record |
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| |
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Author |
Bleiner, D.; Bogaerts, A. |
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| |
Title |
Multiplicity and contiguity of ablation mechanisms in laser-assisted analytical micro-sampling |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
|
| |
Volume |
61 |
Issue |
4 |
Pages |
421-432 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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 |
Oxford |
Editor |
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| |
Language |
|
Wos |
000238887600008 |
Publication Date |
2006-03-30 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0584-8547; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.241 |
Times cited |
48 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.241; 2006 IF: 3.092 |
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| |
Call Number |
UA @ lucian @ c:irua:58156 |
Serial |
2234 |
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| Permanent link to this record |
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| |
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Author |
Khalil-Allafi, J.; Amin-Ahmadi, B. |
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| |
Title |
Multiple-step martensitic transformations in the Ni51Ti49 single crystal |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Journal of materials science |
Abbreviated Journal |
J Mater Sci |
|
| |
Volume |
45 |
Issue |
23 |
Pages |
6440-6445 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Multiple-step martensitic transformations of an aged Ni51Ti49 single crystal using calorimetric method were investigated. Results show that for short aging times (1045 min) multiple-step martensitic transformations on cooling occur in two steps. Applying intermediate aging times (1.254 h) results in three steps and long aging times (more than 8 h) lead to two-step martensitic transformations again. This behavior has not been recognized in NiTi single crystals in literatures. It can be related to the heterogeneity of composition and stress fields around Ni4Ti3 precipitates. |
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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 |
London |
Editor |
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| |
Language |
|
Wos |
000282429400021 |
Publication Date |
2010-06-30 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0022-2461;1573-4803; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.599 |
Times cited |
5 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.599; 2010 IF: 1.859 |
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| |
Call Number |
UA @ lucian @ c:irua:122046 |
Serial |
2231 |
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| Permanent link to this record |
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| |
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Author |
Liu, Y.H.; Chen, Z.Y.; Yu, M.Y.; Bogaerts, A. |
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| |
Title |
Multiple void formation in plasmas containing multispecies charged grains |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
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| |
Volume |
74 |
Issue |
|
Pages |
056401,1-6 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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 |
Lancaster, Pa |
Editor |
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| |
Language |
|
Wos |
000242408800037 |
Publication Date |
2006-11-14 |
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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 |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.366 |
Times cited |
21 |
Open Access |
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|
| |
Notes |
|
Approved |
Most recent IF: 2.366; 2006 IF: 2.438 |
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| |
Call Number |
UA @ lucian @ c:irua:60424 |
Serial |
2233 |
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| Permanent link to this record |
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| |
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Author |
Abakumov, A.M.; Tsirlin, A.A.; Bakaimi, I.; Van Tendeloo, G.; Lappas, A. |
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| |
Title |
Multiple twinning as a structure directing mechanism in layered rock-salt-type oxides : NaMnO2 polymorphism, redox potentials, and magnetism |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
| |
Volume |
26 |
Issue |
10 |
Pages |
3306-3315 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
New polymorphs of NaMnO2 have been observed using transmission electron microscopy and synchrotron X-ray powder diffraction. Coherent twin planes confined to the (NaMnO2) layers, parallel to the (10 (1) over bar) crystallographic planes of the monoclinic layered rock-salt-type alpha-NaMnO2 (O3) structure, form quasi-periodic modulated sequences, with the known alpha-and beta-NaMnO2 polymorphs as the two limiting cases. The energy difference between the polymorphic forms, estimated using a DFT-based structure relaxation, is on the scale of the typical thermal energies that results in a high degree of stacking disorder in these compounds. The results unveil the remarkable effect of the twin planes on both the magnetic and electrochemical properties. The polymorphism drives the magnetic ground state from a quasi-1D spin system for the geometrically frustrated alpha-polymorph through a two-leg spin ladder for the intermediate stacking sequence toward a quasi-2D magnet for the beta-polymorph. A substantial increase of the equilibrium potential for Na deintercalation upon increasing the concentration of the twin planes is calculated, providing a possibility to tune the electrochemical potential of the layered rock-salt ABO(2) cathodes by engineering the materials with a controlled concentration of twins. |
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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 |
000336637000036 |
Publication Date |
2014-05-01 |
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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 |
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Edition |
|
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| |
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.466 |
Times cited |
35 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 9.466; 2014 IF: 8.354 |
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| |
Call Number |
UA @ lucian @ c:irua:117766 |
Serial |
2232 |
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| Permanent link to this record |
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| |
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Author |
Jorissen, K.; Rehr, J.J.; Verbeeck, J. |
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| |
Title |
Multiple scattering calculations of relativistic electron energy loss spectra |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
81 |
Issue |
15 |
Pages |
155108,1-155108,6 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
A generalization of the real-space Greens-function approach is presented for ab initio calculations of relativistic electron energy loss spectra (EELS) which are particularly important in anisotropic materials. The approach incorporates relativistic effects in terms of the transition tensor within the dipole-selection rule. In particular, the method accounts for relativistic corrections to the magic angle in orientation resolved EELS experiments. The approach is validated by a study of the graphite C K edge, for which we present an accurate magic angle measurement consistent with the predicted value. |
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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 |
000277210500038 |
Publication Date |
2010-04-13 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
24 |
Open Access |
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| |
Notes |
Fwo; Esteem 026019 |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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| |
Call Number |
UA @ lucian @ c:irua:82805UA @ admin @ c:irua:82805 |
Serial |
2230 |
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| Permanent link to this record |
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| |
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Author |
Apolinario, S.W.S.; Partoens, B.; Peeters, F.M. |
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| |
Title |
Multiple rings in a 3D anisotropic Wigner crystal: structural and dynamical properties |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
77 |
Issue |
3 |
Pages |
035321,1-9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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 |
Lancaster, Pa |
Editor |
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| |
Language |
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Wos |
000252862900102 |
Publication Date |
2008-01-16 |
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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 |
|
Series Issue |
|
Edition |
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| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
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| |
Call Number |
UA @ lucian @ c:irua:67821 |
Serial |
2229 |
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| Permanent link to this record |
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Author |
Copley, J.R.D.; Michel, K.H. |
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| |
Title |
Multiple orientational order parameters in solid C60 |
Type |
A1 Journal article |
| |
Year |
1997 |
Publication |
Physica: B : condensed matter
T2 – International Conference on Neutron Scattering, AUG 17-21, 1997, TORONTO, CANADA |
Abbreviated Journal |
Physica B |
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| |
Volume |
241 |
Issue |
|
Pages |
454-455 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The transition Fm (3) over bar m -->Pa (3) over bar in solid C-60 is driven by the condensation of orientational modes belonging to X-5(+) irreducible representations (irreps) of Fm (3) over bar m. Taking into account irreps up to the manifold l = 12, we have studied the primary and secondary orientational order parameters loops). We have numerically solved the coupled molecular field equations for these oops and calculated the temperature dependence of Bragg reflection intensities. (C) 1998 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 |
Amsterdam |
Editor |
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Language |
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Wos |
000074062600130 |
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 |
|
|
| |
ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
1.386 |
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 1.386; 1997 IF: 0.991 |
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| |
Call Number |
UA @ lucian @ c:irua:104360 |
Serial |
2228 |
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| Permanent link to this record |
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| |
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Author |
Vodolazov, D.Y.; Peeters, F.M.; Dubonos, S.V.; Geim, A.K. |
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| |
Title |
Multiple flux jumps and irreversible behavior of thin Al superconducting rings |
Type |
A1 Journal article |
| |
Year |
2003 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
67 |
Issue |
5 |
Pages |
054506-6 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
An experimental and theoretical investigation was made of flux jumps and irreversible magnetization curves of mesoscopic Al superconducting rings. In the small magnetic-field region the change of vorticity with magnetic field can be larger than unity. This behavior is connected with the existence of several metastable states of different vorticities. The intentional introduction of a defect in the ring has a large effect on the size of the flux jumps. Calculations based on the time-dependent Ginzburg-Landau model allows us to explain the experimental results semiquantitatively. |
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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 |
000181360300061 |
Publication Date |
2003-02-22 |
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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 |
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Edition |
|
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| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
49 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2003 IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:102812 |
Serial |
2227 |
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| Permanent link to this record |
