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Tytuł:
Spectroscopy and Photophysics of Monoazaphenanthrenes II. Ab initio Analysis of Molecular Parameters and Electronic Spectra
Autorzy:
Deperasińska, I.
Prochorow, J.
Powiązania:
https://bibliotekanauki.pl/articles/2037042.pdf
Data publikacji:
2003-12
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
82.20.Wt
31.15.Ar
Opis:
The ground state structures of phenanthrene and its monoaza-deriv atives, phenanthridine and 7,8-benzoquinoline were optimized using the ab initio methods. Both methods of optimization are leading to the results, which are in good agreement with available experimental data. Calculated ground-state electric dipole moments in phenanthridine and 7,8-benzoquinoline were found to have antiparallel orientations, due to the different electronic charge distributions in these molecules. The energies of vertical electronic transitions from the ground to excited singlet states (S$\text{}_{0}$ → S$\text{}_{n}$ transitions) and the corresponding oscillator strengths were calculated within the framework of configuration interaction-singles and time-dependent density functional theory. The last method was found to be more accurate in reproduction of experimental absorption spectra. Very interesting result of these computations is the change of relative orientation of the transition dipole moments for the two lowest ππ* electronic transition in monoazaphenanthrenes - from perpendicular in phenanthrene molecule to nearly parallel orientation in both monoazaphenanthrenes. The observed changes of molecular parameters and spectra can be related to the inductive effects of the substitution of nitrogen atom into the aromatic skeleton of phenanthrene.
Źródło:
Acta Physica Polonica A; 2003, 104, 6; 601-613
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
WYDZIAŁ TEOLOGICZNY UKSW W LATACH 2013-2017
Autorzy:
Bartnicki, Roman
Powiązania:
https://bibliotekanauki.pl/articles/511856.pdf
Data publikacji:
2018
Wydawca:
Uniwersytet Kardynała Stefana Wyszyńskiego w Warszawie
Tematy:
WT
UKSW
Wydział Teologiczny UKSW
historia
Opis:
Artykuł przedstawia historię Wydziału Teologicznego od 2013 do 2017 r.
Źródło:
Studia Theologica Varsaviensia; 2018, 56, 1; 113-134
0585-5594
Pojawia się w:
Studia Theologica Varsaviensia
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
ITSR - wielka loteria
ITSR - great lottery
Autorzy:
Bogacka, M.
Sarlińska, H.
Powiązania:
https://bibliotekanauki.pl/articles/144882.pdf
Data publikacji:
2012
Wydawca:
Stowarzyszenie Inżynierów i Techników Komunikacji Rzeczpospolitej Polskiej
Tematy:
nawierzchnie asfaltowe
wymagania techniczne WT-2 2010
odporność na wodę
problemy
asphalt pavement
technical requirements WT-2 2010
water permeability
problems
Opis:
Po opublikowaniu zarządzenia Generalnego Dyrektora Dróg Krajowych i Autostrad wprowadzającego wymagania techniczne dotyczące nawierzchni asfaltowych WT-2 2010 laboratoria badające mieszanki mineralno-asfaltowe zaczęły sygnalizować problemy z uzyskiwaniem przez te mieszanki wymaganych kategorii odporności na wodę (ITSR). W artykule autorki przedstawiają napotykane w praktyce trudności z tym badaniem.
Following publication of instruction by General Director for Public Roads and Motorways introducing technical requirements related to asphalt pavement WT-2 2010 laboratories doing asphalt tests started to signal problems that asphalt mixes did not fulfil required resistance to water (ITRS). The authors present in the paper encountered practical difficulties with these tests.
Źródło:
Drogownictwo; 2012, 9; 283-289
0012-6357
Pojawia się w:
Drogownictwo
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
The Dependence of the Proton Conductivity on Concentration for Networks with Different Symmetry of Molecules
Autorzy:
Masłowski, T.
Dudek, K.
Powiązania:
https://bibliotekanauki.pl/articles/1032489.pdf
Data publikacji:
2017-07
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
66.30.Dn
66.30.jp
82.20.Wt
Opis:
The one-dimensional numerical model of the proton conductivity in anhydrous solids is used to obtain the conductivity for different values of proton concentration. The model is constructed as a chain of rods or triangles, depending on the symmetry of molecules, linked by hydrogen bonds. An evolution of such system governed by the Grotthuss mechanism is described by means of the kinetic Monte Carlo method. It is shown that in the case of a system with molecules represented by triangles, a decrease in the conductivity corresponds to a significantly broader range of concentrations than is the case for a system constructed by means of rods. This result may prove to be of a potential importance in the case of possible electronic applications. Moreover, for the discussed systems, a strong dependence on the defect formation energies is demonstrated.
Źródło:
Acta Physica Polonica A; 2017, 132, 1; 129-131
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Quantitative Analysis of Transferred Nuclear Overhauser Effects in Complex Spin Systems by Full Relaxation Matrix Analysis
Autorzy:
Czaplicki, J.
Milon, A.
Powiązania:
https://bibliotekanauki.pl/articles/2043384.pdf
Data publikacji:
2005-07
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
82.56.Ub
82.20.Wt
07.05.Kf
Opis:
A computer program was developed for studying transferred nuclear Overhauser effects in complex spin systems. It permits quantitative analysis of nuclear Overhauser effects observed in biologically important systems, such as ligands interacting with transmembrane receptors in the presence of lipid bilayers. The full generalized relaxation matrix approach takes into account the local mobility, spin equivalence, finite exchange rates, and spectral overlap. The program can be used either to simulate theoretical nuclear Overhauser effect buildup curves or to fit a relaxation matrix of a given model to experimental data. Selected examples illustrate the program's performance.
Źródło:
Acta Physica Polonica A; 2005, 108, 1; 25-32
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Fluorescence Spectra of 7,8-Benzoquinoline Isolated in the Supersonic Jet Expansion - An Ab Initio Analysis
Autorzy:
Deperasińska, I.
Prochorow, J.
Stepanenko, Y.
Powiązania:
https://bibliotekanauki.pl/articles/2038381.pdf
Data publikacji:
2004-10
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
82.20.Wt
31.15.Ar
33.20.Tp
Opis:
The optimized equilibrium geometry of 7,8-benzoquinoline molecule in its first excited, S$\text{}_{1}$, singlet state was computed with the use of ab initio RCIS/6-31G(d) method. It was found that the electronic transition to the first excited state in 7,8-benzoquinoline is not confined to the neighborhood of nitrogen atom, but is delocalized over entire aromatic rings system, much alike in the molecule of phenanthrene. With the optimized geometry of the ground and excited state of the molecule, the frequencies of the vibrational fundamental modes were computed, together with their displacement parameters (geometry changes of vibrations between the excited and the ground state). These frequencies are in good agreement with vibrational frequencies present in the fluorescence spectrum of 7,8-benzoquinoline observed recently under jet-cooling conditions in supersonic beam expansion. In comparison to the fluorescence spectrum of phenanthrene, the calculated, as well as experimental fluorescence spectra of 7,8-benzoquinoline contain much more vibrational features, and this increased vibronic activity is related to the symmetry break caused by the introduction of N-heteroatom into the aromatic ring system of phenanthrene.
Źródło:
Acta Physica Polonica A; 2004, 106, 4; 535-545
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Unsupervised method for building detection using Gabor filters
Autorzy:
Daamouche, A.
Fares, D.
Maalem, I.
Zemmouri, K.
Powiązania:
https://bibliotekanauki.pl/articles/1068632.pdf
Data publikacji:
2016-07
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
07.05.Pj
42.30.Sy
42.68.Wt
Opis:
Automatic methods are a convenient solution to extract buildings from remote sensing images. In this paper, we propose an unsupervised method to extract buildings by means of the Gabor filters and morphological operators. Our proposed method starts from a set of the Gabor filter parameters which is selected empirically to generate a two-dimensional impulse response. The convolution of the impulse response with the image of interest enhances the buildings and attenuates the background. Moreover, morphological operators are applied to further refine the resulting class of interest. The developed algorithm is applied on many remotely sensed images; the obtained results are highly satisfactory and promising.
Źródło:
Acta Physica Polonica A; 2016, 130, 1; 28-29
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Size Dependent Properties of Hollow Gold Nanoparticles: A Theoretical Investigation
Autorzy:
Senturk Dalgic, S.
Powiązania:
https://bibliotekanauki.pl/articles/1186516.pdf
Data publikacji:
2016-04
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
81.07.Bc
82.60.Qr
82.20.Wt
Opis:
A new kind of nanostructures with the negative curvature defined as the hollow ones have recently used in biomedical applications. In this work, an analytic model was developed to compute the size-dependent properties of spherical hollow gold nanoparticles in shell-core-shell configuration. This model has established to calculate the cohesive energies based on the surface energy consideration depending on sizes of inner and outer surfaces of hollow nanoparticles. The size and geometry of the model particles have been obtained by using the stability diagram and the collapsing mechanism was studied by molecular dynamics simulations. The model has been also applied to the hollow particles within unstable and half stable geometry. The predicted results have been compared with each other and those obtained by solid ones. The theoretically predicted size dependent properties are consistent with experimental observations and the hollow quantum dot calculations. Thus, an atomistic insight into the size effect on the cohesive energies of hollow nanoparticles has been presented.
Źródło:
Acta Physica Polonica A; 2016, 129, 4; 531-534
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Seismic Risk Assessment of Historical Eastern Turkish Buildings by Finite Element Analysis
Autorzy:
Çarhoglu, A.
Usta, P.
Korkmaz, K.
Powiązania:
https://bibliotekanauki.pl/articles/1401287.pdf
Data publikacji:
2015-04
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
47.11.Fg
81.90.+c
82.20.Wt
Opis:
Traditional masonry buildings, commonly built in Turkey, are one of the important items of cultural heritage. There are many important historical buildings in the east part of Turkey. One of the important locations in east of Turkey is Kilis. In this study, Kilis houses of original types in terms of architectural and functionality, were examined regarding the effects of an earthquake. Therefore, five traditional Kilis houses were examined and the buildings were modeled using SAP2000 finite element software. The models were investigated with different materials such as stone, brick, pumice and cellular concrete material. Time history analyses were performed for the modeled buildings, with three different ground motion records. Displacement values, compressive stresses, tensile stresses, shear stresses and base shear values, obtained from the analysis results were examined in detail. When the results of the study were evaluated, earthquake resistance of buildings was was found to be high and the displacements values were not at a significant level.
Źródło:
Acta Physica Polonica A; 2015, 127, 4; 1083-1085
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Fluorescence Spectra of Phenanthridine Isolated in the Supersonic Jet Expansion - An Ab Initio Analysis
Autorzy:
Deperasińska, I.
Prochorow, J.
Stepanenko, Y.
Powiązania:
https://bibliotekanauki.pl/articles/2044575.pdf
Data publikacji:
2005-12
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
82.20.Wt
31.15.Ar
33.20.Tp
Opis:
Following the analysis of laser induced fluorescence spectrum of 7,8-benzoquinoline molecule, observed under conditions of isolation in the supersonic jet expansion, the ab initio analysis of laser induced fluorescence spectrum of phenanthridine, observed under the same experimental conditions, was performed. This analysis included: optimization of equilibrium geometry of phenanthridine in its first excited S$\text{}_{1}$ singlet state and computations of the frequencies of vibrational fundamental modes together with their geometry changes between the excited and the ground state. Comparison of the results of calculations with experimental data revealed their good agreement and an increase in the vibrational activity in the fluorescence spectrum in comparison to fluorescence spectrum of phenanthrene molecule (which is a parent aromatic hydrocarbon of phenanthridine and of 7,8-benzoquinoline). Such an increase in vibrational activity in the fluorescence spectrum was earlier observed also for 7,8-benzoquinoline molecule. Present analysis shows that this effect is due to molecular symmetry reduction caused by the substitution of nitrogen atom into the aromatic rings system of phenanthrene, as well as to the changes of equilibrium structure between the ground and excited states.
Źródło:
Acta Physica Polonica A; 2005, 108, 6; 1005-1019
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
The Structure of Dendrimers with Charged Terminal Groups: Monte Carlo Simulations
Autorzy:
Majtyka, M.
Kłos, J.
Powiązania:
https://bibliotekanauki.pl/articles/2047174.pdf
Data publikacji:
2006-12
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
82.20.Wt
82.35.Lr
82.35.Rs
Opis:
Taking into account the full Coulomb potential and the excluded volume interactions, properties of dendrimers with generations g = 5, 6 with charged terminal groups and counterions in an athermal solvent are examined by lattice Monte Carlo simulations. The study treats counterions explicitly and focuses on the local structure of the systems inspected by pair correlation functions g$\text{}_{ab}$ that provide information on distributions of monomers, terminal groups and ions in space at various temperatures T*. Special emphasis is placed on counterions and their role they play in causing conformational changes of the molecules. The simulations show that counterions penetrate the interior of the dendrimers, and there is a major increase in their concentration there as T* decreases. Some of them condense onto the terminal groups and a reduction in the mean effective charge ⟨Q⟩ of the dendrimers appears. Within the range of temperatures where the condensation (as a function of T*) is sharp the molecules weakly swell up when compared to their size at the other temperatures. This kind of behaviour is also reflected by the distributions of monomers and terminal groups.
Źródło:
Acta Physica Polonica A; 2006, 110, 6; 833-843
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Effect of Cooling Rate on the Microstructure and Mechanical Properties of Al-33 wt.% Cu Alloy
Autorzy:
Lee, Yeon-Joo
Kwon, Do-Hun
Cha, Eun-Ji
Song, Yong-Wook
Choi, Hyun Joo
Kim, Hwi-Jun
Powiązania:
https://bibliotekanauki.pl/articles/2203708.pdf
Data publikacji:
2023
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
laser melting
cooling rate
lamellar spacing
hardness
Al-33wt.%Cu alloy
Opis:
Directed energy deposition (DED) is an additive manufacturing process wherein an energy source is focused on a substrate on which a feedstock material is simultaneously delivered, thereby forming a small melt pool. Melting, solidification, and subsequent cooling occur at high rates with considerable thermal gradients compared with traditional metallurgical processes. Hence, it is important to examine the effects of cooling rates on the microstructures and properties of the additive manufactured materials. In this study, after performing DED with various energy densities, we investigated the changes in the microstructures and Vickers hardness of cast Al-33 wt.% Cu alloy, which is widely used to estimate the cooling rate during processing by measuring the lamellar spacing of the microstructure after solidification. The effects of the energy density on the cooling rate and resultant mechanical properties are discussed, which suggests a simple way to estimate the cooling rate indirectly. This study corresponds to the basic stage of the current study, and will continue to apply DED in the future.
Źródło:
Archives of Metallurgy and Materials; 2023, 68, 1; 43--46
1733-3490
Pojawia się w:
Archives of Metallurgy and Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Effect of T6 Heat Treatment on the Scratch Wear Behavior of Extruded Al-12wt.%Si Alloy
Autorzy:
Kang, Yeon-Ji
Kim, Jong-Ho
Hwang, Jong-Il
Lee, Kee-Ahn
Powiązania:
https://bibliotekanauki.pl/articles/356776.pdf
Data publikacji:
2019
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
Al-12wt.%Si alloy
scratch test
wear-resistance
T6 heat treatment
Opis:
This study investigated the effect of T6 heat treatment on the microstructure and scratch wear behavior of hypoeutectic Al-12wt.%Si alloy manufactured by extrusion. Microstructural observation identified spherical eutectic Si phases before and after the heat treatment of alloys (F, T6). Phase analysis confirmed Al matrix and Si phase as well as Al2Cu and Al3Ni, Mg2Si in both alloys. In particular, Al2Cu was finer and more evenly distributed in T6 alloy. This resulted in Vickers hardness of T6 alloy that was 2.3 times greater compared to F alloy. The scratch wear test was conducted using constant load scratch test (CLST) mode and multi-pass scratch test (MPST) mode. The scratch coefficient and worn out volume obtained by such were used to evaluate wear properties before and after heat treatment. In the case of T6 alloy, its scratch coefficient was lower than F alloy in all load ranges. After 15 repeated tests to measure worn out volume, F alloy and T6 alloy measured 1.2×10-1 mm3 and 7.8×10-2 mm3, respectively. In other words, the wear resistance of T6 alloy were confirmed to be better than those of F alloy. In addition, this study attempted to identify the microstructural factors that contribute to the better scratch wear resistance of T6 alloy and wear mechanism from surface and cross-section observations after the wear tests.
Źródło:
Archives of Metallurgy and Materials; 2019, 64, 2; 617-622
1733-3490
Pojawia się w:
Archives of Metallurgy and Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Mechanical Spectroscopy of Equal-Channel Angular Pressed Fe-Cr Alloys and Tungsten
Spektroskopia mechaniczna stopów Fe-Cr i wolframu wyciskanych przez kanał kątowy
Autorzy:
Hao, T.
Tang, H.
Jiang, W.
Wang, X.
Fang, Q.
Powiązania:
https://bibliotekanauki.pl/articles/352822.pdf
Data publikacji:
2015
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
mechanical spectroscopy
internal friction technique
Fe-18wt.%Cr alloy and pure W
equal-channel angular
spektroskopia mechaniczna
technika tarcia wewnętrznego
stop Fe-18wt%Cr i czystego W
kanał kątowy
Opis:
nternal friction technique was used to investigate the microstructural stability of equal-channel angular pressed (ECAP) 9Cr1Mo steel (T91), Fe-18wt.%Cr alloy, and pure W. Several non-relaxation internal friction peaks are observed in three ECAP-strained specimens, which are related to the microstructural transition from a severely deformed state to a static recovery state of dislocations, and to recrystallized state. Along with the disappearance of the P1 peak, another relaxation internal friction peak P2 is observed during the second heating run only in Fe-18wt.%Cr alloy, and it does not disappear even during subsequent third heating run. This peak is not observed in T91 steel and W. The P2 peak is likely associated with a process of grain boundary (GB) sliding. Unlike T91, no abundant carbide precipitates distribute on GBs to pin GB and repulse GB sliding, thus, the P2 peak only occurs in Fe-18wt.%Cr alloy. It is concluded that high-temperature internal friction measurements are required to detect the grain boundary peak in pure W.
Technika tarcia wewnętrznego została użyta do zbadania stabilności mikrostruktury poddanych wyciskaniu przez kanał kątowy stali 9Cr1Mo (T91), stopu Fe-18wt%Cr, i czystego W. Zaobserwowano wiele nie-relaksacyjnych pików tarcia wewnętrznego w trzech próbkach odkształconych przez ECAP, które są związane z przejściem ze stanu silnie odkształconego do statycznego stanu zdrowienia dyslokacji, i do stanu zrekrystalizowanego. Wraz z zanikiem piku P1, tylko w przypadku stopu Fe-18wt%Cr obserwowany jest inny pik P2 relaksacji tarcia wewnętrznego podczas drugiego ogrzewania, i nie znika nawet w kolejnym trzecim etapie ogrzewania. Pik ten nie jest obserwowany w stali T91 i W. Pik P2 prawdopodobnie związany jest procesem poślizgu granicy ziaren. W przeciwieństwie do stali T91, brak bogatych w węglik wydzieleń na granicach ziaren, które by unieruchomiły granice i uniemożliwiły poślizg, stąd pik P2 występuje tylko w przypadku stopu Fe-18wt.%Cr. Stwierdzono, że pomiary tarcia wewnętrznego w wysokiej temperaturze są potrzebne, aby wykryć pik granicy ziarna w czystym W.
Źródło:
Archives of Metallurgy and Materials; 2015, 60, 3A; 2101-2106
1733-3490
Pojawia się w:
Archives of Metallurgy and Materials
Dostawca treści:
Biblioteka Nauki
Artykuł

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