Correlation effects and orbital magnetism of Co clusters

Recent experiments on isolated Co clusters have shown huge orbital magnetic moments in comparison with their bulk and surface counterparts. These clusters hence provide the unique possibility to study the evolution of the orbital magnetic moment with respect to the cluster size and how competing interactions contribute to the quenching of orbital magnetism. We investigate here different theoretical methods to calculate the spin and orbital moments of Co clusters, and assess the performances of the methods in comparison with experiments. It is shown that density functional theory in conventional local density or generalized gradient approximations, or even with a hybrid functional, severely underestimates the orbital moment. As natural extensions/corrections we considered the orbital polarization correction, the LDA+U approximation as well as the LDA+DMFT method. Our theory shows that of the considered methods, only the LDA+DMFT method provides orbital moments in agreement with experiment, thus emphasizing the importance of dynamic correlations effects for determining fundamental magnetic properties of magnets in the nano-size regime

Dielectronic Recombination of Fe XV forming Fe XIV: Laboratory Measurements and Theoretical Calculations

We have measured resonance strengths and energies for dielectronic recombination (DR) of Mg-like Fe XV forming Al-like Fe XIV via N=3 -> N' = 3 core excitations in the electron-ion collision energy range 0-45 eV. All measurements were carried out using the heavy-ion Test Storage Ring at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. We have also carried out new multiconfiguration Breit-Pauli (MCBP) calculations using the AUTOSTRUCTURE code. For electron-ion collision energies < 25 eV we find poor agreement between our experimental and theoretical resonance energies and strengths. From 25 to 42 eV we find good agreement between the two for resonance energies. But in this energy range the theoretical resonance strengths are ~ 31% larger than the experimental results. This is larger than our estimated total experimental uncertainty in this energy range of +/- 26% (at a 90% confidence level). Above 42 eV the difference in the shape between the calculated and measured 3s3p(^1P_1)nl DR series limit we attribute partly to the nl dependence of the detection probabilities of high Rydberg states in the experiment. We have used our measurements, supplemented by our AUTOSTRUCTURE calculations, to produce a Maxwellian-averaged 3 -> 3 DR rate coefficient for Fe XV forming Fe XIV. The resulting rate coefficient is estimated to be accurate to better than +/- 29% (at a 90% confidence level) for k_BT_e > 1 eV. At temperatures of k_BT_e ~ 2.5-15 eV, where Fe XV is predicted to form in photoionized plasmas, significant discrepancies are found between our experimentally-derived rate coefficient and previously published theoretical results. Our new MCBP plasma rate coefficient is 19-28% smaller than our experimental results over this temperature range

Neural development features: Spatio-temporal development of the Caenorhabditis elegans neuronal network

The nematode Caenorhabditis elegans, with information on neural connectivity, three-dimensional position and cell linage provides a unique system for understanding the development of neural networks. Although C. elegans has been widely studied in the past, we present the first statistical study from a developmental perspective, with findings that raise interesting suggestions on the establishment of long-distance connections and network hubs. Here, we analyze the neuro-development for temporal and spatial features, using birth times of neurons and their three-dimensional positions. Comparisons of growth in C. elegans with random spatial network growth highlight two findings relevant to neural network development. First, most neurons which are linked by long-distance connections are born around the same time and early on, suggesting the possibility of early contact or interaction between connected neurons during development. Second, early-born neurons are more highly connected (tendency to form hubs) than later born neurons. This indicates that the longer time frame available to them might underlie high connectivity. Both outcomes are not observed for random connection formation. The study finds that around one-third of electrically coupled long-range connections are late forming, raising the question of what mechanisms are involved in ensuring their accuracy, particularly in light of the extremely invariant connectivity observed in C. elegans. In conclusion, the sequence of neural network development highlights the possibility of early contact or interaction in securing long-distance and high-degree connectivity

Interference effects in the photorecombination of argonlike Sc3+ ions: Storage-ring experiment and theory

Absolute total electron-ion recombination rate coefficients of argonlike Sc3+(3s2 3p6) ions have been measured for relative energies between electrons and ions ranging from 0 to 45 eV. This energy range comprises all dielectronic recombination resonances attached to 3p -> 3d and 3p -> 4s excitations. A broad resonance with an experimental width of 0.89 +- 0.07 eV due to the 3p5 3d2 2F intermediate state is found at 12.31 +- 0.03 eV with a small experimental evidence for an asymmetric line shape. From R-Matrix and perturbative calculations we infer that the asymmetric line shape may not only be due to quantum mechanical interference between direct and resonant recombination channels as predicted by Gorczyca et al. [Phys. Rev. A 56, 4742 (1997)], but may partly also be due to the interaction with an adjacent overlapping DR resonance of the same symmetry. The overall agreement between theory and experiment is poor. Differences between our experimental and our theoretical resonance positions are as large as 1.4 eV. This illustrates the difficulty to accurately describe the structure of an atomic system with an open 3d-shell with state-of-the-art theoretical methods. Furthermore, we find that a relativistic theoretical treatment of the system under study is mandatory since the existence of experimentally observed strong 3p5 3d2 2D and 3p5 3d 4s 2D resonances can only be explained when calculations beyond LS-coupling are carried out.Comment: 11 pages, 7 figures, 3 tables, Phys. Rev. A (in print), see also: http://www.strz.uni-giessen.de/~k

Speaker-independent emotion recognition exploiting a psychologically-inspired binary cascade classification schema

In this paper, a psychologically-inspired binary cascade classification schema is proposed for speech emotion recognition. Performance is enhanced because commonly confused pairs of emotions are distinguishable from one another. Extracted features are related to statistics of pitch, formants, and energy contours, as well as spectrum, cepstrum, perceptual and temporal features, autocorrelation, MPEG-7 descriptors, Fujisakis model parameters, voice quality, jitter, and shimmer. Selected features are fed as input to K nearest neighborhood classifier and to support vector machines. Two kernels are tested for the latter: Linear and Gaussian radial basis function. The recently proposed speaker-independent experimental protocol is tested on the Berlin emotional speech database for each gender separately. The best emotion recognition accuracy, achieved by support vector machines with linear kernel, equals 87.7%, outperforming state-of-the-art approaches. Statistical analysis is first carried out with respect to the classifiers error rates and then to evaluate the information expressed by the classifiers confusion matrices. © Springer Science+Business Media, LLC 2011

Atomic data for neutron-capture elements I. Photoionization and recombination properties of low-charge selenium ions

We present multi-configuration Breit-Pauli AUTOSTRUCTURE calculations of distorted-wave photoionization (PI) cross sections, and total and partial final-state resolved radiative recombination (RR) and dielectronic recombination (DR) rate coefficients for the first six ions of the trans-iron element Se. These calculations were motivated by the recent detection of Se emission lines in a large number of planetary nebulae. Se is a potentially useful tracer of neutron-capture nucleosynthesis, but accurate determinations of its abundance in photoionized nebulae have been hindered by the lack of atomic data governing its ionization balance. Our calculations were carried out in intermediate coupling with semi-relativistic radial wavefunctions. PI and recombination data were determined for levels within the ground configuration of each ion, and experimental PI cross-section measurements were used to benchmark our results. For DR, we allowed dn=0 core excitations, which are important at photoionized plasma temperatures. DR is the dominant recombination process for each of these Se ions at temperatures representative of photoionized nebulae (~10^4 K). To estimate the uncertainties of these data, we compared results from three different configuration-interaction expansions for each ion, and tested the sensitivity of the results to the radial scaling factors in the structure calculations. We find that the internal uncertainties are typically 30-50% for the direct PI cross sections and ~10% for the computed RR rate coefficients, while those for low-temperature DR can be considerably larger (from 15-30% up to two orders of magnitude) due to the unknown energies of near-threshold autoionization resonances. The results are suitable for incorporation into photoionization codes used to numerically simulate astrophysical nebulae, and will enable robust determinations of nebular Se abundances.Comment: 17 pages, 8 figures, accepted for publication in Astronomy and Astrophysic

Screening of DUB activity and specificity by MALDI-TOF mass spectrometry

Deubiquitylases (DUBs) are key regulators of the ubiquitin system which cleave ubiquitin moieties from proteins and polyubiquitin chains. Several DUBs have been implicated in various diseases and are attractive drug targets. We have developed a sensitive and fast assay to quantify in vitro DUB enzyme activity using matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry. Unlike other current assays, this method uses unmodified substrates, such as diubiquitin topoisomers. By analyzing 42 human DUBs against all diubiquitin topoisomers we provide an extensive characterization of DUB activity and specificity. Our results confirm the high specificity of many members of the OTU and JAMM DUB families and highlight that all USPs tested display low linkage selectivity. We also demonstrate that this assay can be deployed to assess the potency and specificity of DUB inhibitors by profiling 11 compounds against a panel of 32 DUBs

Dielectronic Recombination In Active Galactic Nuclei

XMM-Newton and Chandra observations of active galactic nuclei (AGN) show rich spectra of X-ray absorption lines. These observations have detected a broad unresolved transition array (UTA) between ˜ 15-17 Å. This is attributed to inner-shell photoexcitation of M-shell iron ions. Modeling these UTA features is currently limited by uncertainties in the low-temperature dielectronic recombination (DR) data for M-shell iron. In order to resolve this issue, and to provide reliable iron M-shell DR data for plasma modeling, we are carrying out a series of laboratory measurements using the heavy-ion Test Storage Ring (TSR) at the Max-Plank-Institute for Nuclear Physics in Heidelberg, Germany. Currently, laboratory measurements of low temperature DR can only be performed at storage rings. We use the DR data obtained at TSR, to calculate rate coefficients for plasma modeling and to benchmark theoretical DR calculations. Here we report our recent experimental results for DR of Fe XIV forming Fe XIII

Atomic data for neutron-capture elements II. Photoionization and recombination properties of low-charge krypton ions

We present multi-configuration Breit-Pauli distorted-wave photoionization (PI) cross sections and radiative recombination (RR) and dielectronic recombination (DR) rate coefficients for the first six krypton ions. These were calculated with the AUTOSTRUCTURE code, using semi-relativistic radial wavefunctions in intermediate coupling. Kr has been detected in several planetary nebulae (PNe) and H II regions, and is a useful tracer of neutron-capture nucleosynthesis. PI, RR, and DR data are required to accurately correct for unobserved Kr ions in ionized nebulae, and hence to determine elemental Kr abundances. PI cross sections have been determined for ground configuration states of Kr^0--Kr^5+ up to 100 Rydbergs. Our Kr^+ PI calculations were significantly improved through comparison with experimental measurements. RR and DR rate coefficients were determined from the direct and resonant PI cross sections at temperatures (10^1--10^7)z^2 K, where z is the charge. We account for Delta n=0 DR core excitations, and find that DR is the dominant recombination mechanism for all but Kr^+ at photoionized plasma temperatures. Internal uncertainties are estimated by comparing results computed with three different configuration-interaction expansions for each ion, and by testing the sensitivity to variations in the orbital radial scaling parameters. The PI cross sections are generally uncertain by 30-50% near the ground state thresholds. Near 10^4 K, the RR rate coefficients are typically uncertain by <10%, while those of DR exhibit uncertainties of factors of 2 to 3, due to the unknown energies of near-threshold autoionizing resonances. With the charge transfer rate coefficients presented in the third paper of this series, these data enable robust Kr abundance determinations in photoionized nebulae for the first time.Comment: 19 pages, 8 figures. Accepted for publication in Astronomy & Astrophysic

The Boundary Conditions of the Heliosphere: Photoionization Models Constrained by Interstellar and In Situ Data

The boundary conditions of the heliosphere are set by the ionization, density and composition of inflowing interstellar matter. Constraining the properties of the Local Interstellar Cloud (LIC) at the heliosphere requires radiative transfer ionization models. We model the background interstellar radiation field using observed stellar FUV and EUV emission and the diffuse soft X-ray background. We also model the emission from the boundary between the LIC and the hot Local Bubble (LB) plasma, assuming that the cloud is evaporating because of thermal conduction. We create a grid of models covering a plausible range of LIC and LB properties, and use the modeled radiation field as input to radiative transfer/thermal equilibrium calculations using the Cloudy code. Data from in situ observations of He^O, pickup ions and anomalous cosmic rays in the heliosphere, and absorption line measurements towards epsilon CMa were used to constrain the input parameters. A restricted range of assumed LIC HI column densities and LB plasma temperatures produce models that match all the observational constraints. The relative weakness of the constraints on N(HI) and T_h contrast with the narrow limits predicted for the H^O and electron density in the LIC at the Sun, n(H^0) = 0.19 - 0.20 cm^-3, and n(e) = 0.07 +/- 0.01 cm^-3. Derived abundances are mostly typical for low density gas, with sub-solar Mg, Si and Fe, possibly subsolar O and N, and S about solar; however C is supersolar. The interstellar gas at the Sun is warm, low density, and partially ionized, with n(H) = 0.23 - 0.27 cm^-3, T = 6300 K, X(H^+) ~ 0.2, and X(He^+) ~ 0.4. These results appear to be robust since acceptable models are found for substantially different input radiation fields. Our results favor low values for the reference solar abundances for the LIC composition.Comment: 14 pages, 4 figures, submitted to Astronomy & Astrophysics together with papers from the International Space Sciences Institute workshop on Interstellar Hydrogen in the Heliospher