X-ray Absorption Linear Dichroism at the Ti K-edge of TiO2 anatase single crystal

Anatase TiO2 (a-TiO2) exhibits a strong X-ray absorption linear dichroism with the X-ray incidence angle in the pre-edge, the XANES and the EXAFS at the titanium K-edge. In the pre-edge region the behaviour of the A1-A3 and B peaks, originating from the 1s-3d transitions, is due to the strong $p$-orbital polarization and strong $p-d$ orbital mixing. An unambiguous assignment of the pre-edge peak transitions is made in the monoelectronic approximation with the support of ab initio finite difference method calculations and spherical tensor analysis in quantitative agreement with the experiment. It is found that A1 is mostly an on-site 3d-4p hybridized transition, while peaks A3 and B are non-local transitions, with A3 being mostly dipolar and influence by the 3d-4p intersite hybridization, while B is due to interactions at longer range. Finally, peak A2 which was previously assigned to a transition involving pentacoordinated titanium atoms exhibits a quadrupolar angular evolution with incidence angle. These results pave the way to the use of the pre-edge peaks at the K-edge of a-TiO2 to characterize the electronic structure of related materials and in the field of ultrafast XAS where the linear dichroism can be used to compare the photophysics along different axes.Comment: 43 pages, 19 figure

STAT1 activation in association with JAK2 exon 12 mutations

La inclusión de la perspectiva de género en la actividad jurisdiccional es una demanda sostenida de los colectivos feministas y de mujeres, dado que las sentencias tienen un poder performativo y envían un mensaje a la sociedad: “[…] tienen un poder individual y colectivo que impactan en la vida de las personas y conforman la identidad del poder judicial como un actor imprescindible en la construcción de un Estado democrático de derecho” (Suprema Corte de Justicia de la Nación, 2013:7). La incorporación de la perspectiva de género viene a garantizar la igualdad de posiciones (Kessler, 2014) entre mujeres y varones como una meta, trascendiendo la mera igualdad de oportunidades que hasta el presente se ha demostrado insuficiente para que las mujeres consigamos una ciudadanía plena. Al momento de incorporar la perspectiva de género en las sentencias, quienes juzgan deben tener presente en primer lugar, el impacto diferenciado de las normas en base al sexo de las personas. En segundo lugar, la interpretación y aplicación de las leyes en relación con (y en base a) estereotipos de género. Si, por ejemplo, quienes imparten justicia no tienen presentes los estereotipos de género vigentes detrás de las violaciones a los derechos humanos de las mujeres, si no los detectan ni cuestionan, entonces los reproducen. Tal como sostiene Scott (1996) el género es una categoría imprescindible para el análisis social. En tercer lugar, al momento del juzgamiento, se deben tener en cuenta las exclusiones legitimadas por la ley por pensar el mundo en términos binarios y androcéntricos; en cuarto lugar, la distribución no equitativa de recursos y poder que opera entre varones y mujeres en el marco de una organización social patriarcal, y, por último, el trato diferenciado por género legitimado por las propias leyes.Eje 3: Tramas violentas y espacios de exclusión.Instituto de Cultura Jurídic

Ein dimensionsunabhängiges topologisches Modell auf der Basis von Simplexen

Die geometrische Modellierung hat in den Ingenieurwissenschaften eine große Bedeutung erlangt. Die Visualisierung von zwei- oder dreidimensionalen Problemstellungen ist aus heutigen Anwendungen nicht mehr wegzudenken. Zunehmend rücken Aufgabenstellungen aus dem Bereich der geometrischen Modellierung in den Vordergrund, die über die etablierten Dimensionen 1-3 hinausgehen und die nicht mehr rein geometrischer Natur sind. Hierzu zählen Aufgabenstellungen aus den Bereichen numerische Simulation, Parameteridentifikation und Strukturanalyse. Auf diese nicht-geometrischen Aufgabenstellungen sollen geometrische Verfahren, wie z.B. Triangulation, konvexe Hülle, geometrischer Schnitt und Interpolation angewendet werden. Hierzu werden diese Algorithmen, die alle auf der klassischen Geometrie des euklidischen Raumes beruhen, auf ihre Übertragbarkeit hin analysiert und überarbeitet. Am Beispiel einer Parameteridentifikation wird eine systematische Vorgehensweise vorgestellt, die es ermöglicht, trotz weniger Versuchsrechnungen den Bereich der in Frage kommenden Parameter umfassend zu beschreiben. Dies ermöglicht ein besseres Verständnis der Zusammenhänge der Parameter untereinander. Häufig existieren mehr als eine Parameterkombination, so daß diese eine Isolinie formen, die ihrerseits unendlich viele Lösungen des gestellten Problemes im Untersuchungsgebiet beschreibt

Spectra of heavy-light and heavy-heavy mesons containing charm quarks, including higher spin states for Nf=2+1N_f=2+ 1

We study the spectra of heavy-light and heavy-heavy mesons containing charm quarks, including higher spin states. We use two sets of $N_f = 2 + 1$ gauge configurations, one set from QCDSF using the SLiNC action, and the other configurations from the Budapest-Marseille-Wuppertal collaboration, using the HEX smeared clover action. To extract information about the excited states, we choose a suitable basis of operators to implement the variational method.Comment: 7 pages, 5 figures, Talk presented at the XXIX International Symposium on Lattice Field Theory, Lattice2011, July 11-16, 2011, The Village at Squaw Valley, California, US

Coherent photon bremsstrahlung and dynamics of heavy-ion collisions: comparison of different models

Differential spectra of coherent photon bremsstrahlung in relativistic heavy ion collisions are calculated within various schematic models of the projectile-target stopping. Two versions of the degradation length model, based on a phenomenological deceleration law, are considered. The simple shock wave model is studied analytically. The predictions of these models agree in the soft photon limit, where the spectrum is determined only by the final velocity distribution of charged particles. The results of these models in the case of central Au+Au collisions at various bombarding energies are compared with the predictions of the microscopic transport model UrQMD. It is shown that at the AGS energy the coherent photon bremsstrahlung exceeds the photon yield from $\pi^0$-decays at photon energies \omega\loo 50 MeV.Comment: 23 pages RevTeX, 9 eps Figure

QCD thermodynamics with continuum extrapolated dynamical overlap fermions

We study the finite temperature transition in QCD with two flavors of dynamical fermions at a pseudoscalar pion mass of about 350 MeV. We use lattices with temporal extent of $N_t$=8, 10 and 12. For the first time in the literature a continuum limit is carried out for several observables with dynamical overlap fermions. These findings are compared with results obtained within the staggered fermion formalism at the same pion masses and extrapolated to the continuum limit. The presented results correspond to fixed topology and its effect is studied in the staggered case. Nice agreement is found between the overlap and staggered results

On the low fermionic eigenmode dominance in QCD on the lattice

We demonstrate the utility of a spectral approximation to fermion loop operators using low-lying eigenmodes of the hermitian Dirac-Wilson matrix, Q. The investigation is based on a total of 400 full QCD vacuum configurations, with two degenerate flavors of dynamical Wilson fermions at beta =5.6, at two different sea quark masses. The spectral approach is highly competitive for accessing both topological charge and disconnected diagrams, on large lattices and small quark masses. We propose suitable partial summation techniques that provide sufficient saturation for estimating Tr Q^{-1}, which is related to the topological charge. In the effective mass plot of the eta' meson we achieved a consistent early plateau formation, by ground state projecting the connected piece of its propagator.Comment: 15 pages, 25 figures, citations adde

Speeding up finite step-size updating of full QCD on the lattice

We propose various improvements of finite step-size updating for full QCD on the lattice that might turn finite step-size updating into a viable alternative to the hybrid Monte Carlo algorithm. These improvements are noise reduction of the noisy estimator of the fermion determinant, unbiased inclusion of the hopping parameter expansion and a multi-level Metropolis scheme. First numerical tests are performed for the 2 dimensional Schwinger model with two flavours of Wilson fermions and for QCD two flavours of Wilson fermions and Schr"odinger functional boundary conditions.Comment: 22 pages, 1 figur

AntiSplodge: a neural-network-based RNA-profile deconvolution pipeline designed for spatial transcriptomics

With the current surge of spatial transcriptomics (ST) studies, researchers are exploring the deep interactive cell-play directly in tissues, in situ. However, with the current technologies, measurements consist of mRNA transcript profiles of mixed origin. Recently, applications have been proposed to tackle the deconvolution process, to gain knowledge about which cell types (SC) are found within. This is usually done by incorporating metrics from single-cell (SC) RNA, from similar tissues. Yet, most existing tools are cumbersome, and we found them hard to integrate and properly utilize. Therefore, we present (AntiSplodge), a simple feed-forward neural-network-based pipeline designed to effective deconvolute ST profiles by utilizing synthetic ST profiles derived from real-life SC datasets. (AntiSplodge) is designed to be easy, fast and intuitive while still being lightweight. To demonstrate (AntiSplodge), we deconvolute the human heart and verify correctness across time points. We further deconvolute the mouse brain, where spot patterns correctly follow that of the underlying tissue. In particular, for the hippocampus from where the cells originate. Furthermore, (AntiSplodge) demonstrates top of the line performance when compared to current state-of-the-art tools. Software availability: https://github.com/HealthML/AntiSplodge/

Modelling risk-based inspections in EU organic certification: data requirements and analysis tools

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