Search results for " clusters"
showing 10 items of 1091 documents
Non-thermal pressure support in X-COP galaxy clusters
2018
Galaxy clusters are the endpoints of structure formation and are continuously growing through the merging and accretion of smaller structures. Numerical simulations predict that a fraction of their energy content is not yet thermalized, mainly in the form of kinetic motions (turbulence, bulk motions). Measuring the level of non-thermal pressure support is necessary to understand the processes leading to the virialization of the gas within the potential well of the main halo and to calibrate the biases in hydrostatic mass estimates. We present high-quality measurements of hydrostatic masses and intracluster gas fraction out to the virial radius for a sample of 12 nearby clusters with availab…
Escaping scaling relationships for water dissociation at interfacial sites of zirconia-supported Rh and Pt clusters
2019
<p>Water dissociation is an important reaction involved in many industrial processes and a good model reaction for probing the activity of catalytic sites. In this computational study, the dissociation of water at interfacial sites of globally optimized ZrO2 sup- ported Pt and Rh clusters is investigated under the framework of density functional theory. Our findings demonstrate that the perimeter sites of these small clusters can activate water, but the dissociation behavior varies considerably between sites. It is shown that the studied clusters break scaling relationships for water dissociation, suggesting these catalysts may achieve activities beyond the maximum imposed by such rel…
Alternative Military Keynesianism as a Tool of Civil-Military Cooperation in the Framework of the EU Defence Policy
2015
During the last year the security threats to the European Union have increased dramatically under the influence of military crisis in eastern Ukraine and Islamic terrorist activities in Europe. Consequently the demand for defence in the member states of the European Union has become greater than in previous years.This situation leads to the dilemma when the high level of defence expenditure can hamper the financial support of other sectors of national economy.Therefore it is necessary to increase the efficiency of available financial resources that have been allocated for the defence without a significant increase in defence expenditure. In order to achieve this efficiency the concept of cl…
Optical determination and identification of organic shells around nanoparticles: application to silver nanoparticles
2013
We present a simple method to prove the presence of an organic shell around silver nanoparticles. This method is based on the comparison between optical extinction measurements of isolated nanoparticles and Mie calculations predicting the expected wavelength of the Localized Surface Plasmon Resonance of the nanoparticles with and without the presence of an organic layer. This method was applied to silver nanoparticles which seemed to be well protected from oxidation. Further experimental characterization via Surface Enhanced Raman Spectroscopy (SERS) measurements allowed to identify this protective shell as ethylene glycol. Combining LSPR and SERS measurements could thus give proof of both …
Optical Properties of Natural and Synthetic Minerals
2015
The results of investigation of optical absorption and photoluminescence (PL) of topaz, beryl and yttrium aluminium garnet crystals doped with different concentrations of transition ions exposed to fast neutron irradiation and electron irradiation are presented. We suppose that irradiation leads to the formation of two types of complex centers: "Me2+-F+ (or F) centre" and complex centers, which consist of a cation vacancy and an impurity (iron, manganese and chromium) ion. Exchange interaction between radiation defects and impurity ions during neutron or electron irradiation gives rise to appearance of additional absorption and luminescence band broadening in investigated crystals.
Diastereomeric control of enantioselectivity: evidence for metal cluster catalysis
2014
Enantioselective hydrogenation of tiglic acid effected by diastereomers of the general formula [(μ-H)2Ru3(μ3-S)(CO)7(μ-P–P*)] (P–P* = chiral Walphos diphosphine ligand) strongly supports catalysis by intact Ru3 clusters. A catalytic mechanism involving Ru3 clusters has been established by DFT calculations. peerReviewed
FTIR matrix isolation and theoretical studies of glycolic acid dimers
2018
Glycolic acid (GA) dimers were studied in low temperature argon matrices by means of FTIR spectroscopy. Experimentally, the dimers were produced when monomeric glycolic acid molecules were thermally mobilized upon annealing of argon matrices at 25–35 K. The experimental spectra observed upon annealing indicate the presence of three different dimer structures. Computationally, MP2 and DFT calculations were used to study the potential dimer species in order to scrutinize the possible dimer structures, their energetics and their spectral features. Altogether 27 local minima were found for dimer structures for the three lowest conformers of glycolic acid considered based on previous studies on …
Resonance in Interacting Induced-Dipole Polarizing Force Fields: Application to Force-Field Derivatives
2009
The Silberstein model of the molecular polarizability of diatomic molecules, generalized by Applequist et al. for polyatomic molecules, is analyzed. The atoms are regarded as isotropically polarizable points located at their nuclei, interacting via the fields of their induced dipoles. The use of additive values for atom polarizabilities gives poor results, in some cases leading to artificial predictions of absorption bands. The molecular polarizability of methane and its derivative are computed. The agreement with experimental mean molecular polarizabilities is within 1–5%. A hypothesis is indispensable for a suitable representation of polarizability derivative.
A magnetic look into the protecting layer of Au25 clusters
2016
The field of molecular metal clusters protected by organothiolates is experiencing a very rapid growth. So far, however, a clear understanding of the fine interactions between the cluster core and the capping monolayer has remained elusive, despite the importance of the latter in interfacing the former to the surrounding medium. Here, we describe a very sensitive methodology that enables comprehensive assessment of these interactions. Pulse electron nuclear double resonance (ENDOR) was employed to study the interaction of the unpaired electron with the protons of the alkanethiolate ligands in four structurally related paramagnetic Au25(SR)0 18 clusters (R ¼ ethyl, propyl, butyl, 2-methylpro…
Multi-word Clusters, Keywords and Key Terms in English Car Reviews: a Preliminary Corpus Linguistic Study
2018
Classroom use of authentic texts used in everyday communication has not always been an inseparable part of foreign language teaching. According to Grigaliuniene (2013, p. 17), “the structures many current textbooks teach for certain functions are either never used or used infrequently while quite unexpected structures are the ones that actually occur”. Despite the awareness of the importance of authentic patterns of language use, students often learn structures (lexical or grammatical) which are rarely used in actual communication. Teaching authentic phrases is even more important in English for Specific Purposes (ESP) where learners’ specific needs impact the design of a course (Dudley-Eva…