Folding a 2-D powder diffraction image into a 1-D scan: a new procedure

A new procedure aiming at folding a powder diffraction 2-D into a 1-D scan is presented. The technique consists of three steps: tracking the beam centre by means of a Simulated Annealing (SA) of the diffraction rings along the same axis, detector tilt and rotation determination by a Hankel Lanczos Singular Value Decomposition (HLSVD) and intensity integration by an adaptive binning algorithm. The X-ray powder diffraction (XRPD) intensity profile of the standard NIST Si 640c sample is used to test the performances. Results show the robustness of the method and its capability of efficiently tagging the pixels in a 2-D readout system by matching the ideal geometry of the detector to the real beam-sample-detector frame. The whole technique turns out in a versatile and user-friendly tool for the $2\vartheta$ scanning of 2-D XRPD profiles.Comment: 11 pages, 1 table, 2 figure

Aortic Coarctation: Recent Developments in Experimental and Computational Methods to Assess Treatments for this Simple Condition

Coarctation of the aorta (CoA) is often considered a relatively simple disease, but long-term outcomes suggest otherwise as life expectancies are decades less than in the average population and substantial morbidity often exists. What follows is an expanded version of collective work conducted by the authors\u27 and numerous collaborators that was presented at the 1st International Conference on Computational Simulation in Congenital Heart Disease pertaining to recent advances for CoA. The work begins by focusing on what is known about blood flow, pressure and indices of wall shear stress (WSS) in patients with normal vascular anatomy from both clinical imaging and the use of computational fluid dynamics (CFD) techniques. Hemodynamic alterations observed in CFD studies from untreated CoA patients and those undergoing surgical or interventional treatment are subsequently discussed. The impact of surgical approach, stent design and valve morphology are also presented for these patient populations. Finally, recent work from a representative experimental animal model of CoA that may offer insight into proposed mechanisms of long-term morbidity in CoA is presented

Ab initio GW many-body effects in graphene

We present an {\it ab initio} many-body GW calculation of the self-energy, the quasiparticle band plot and the spectral functions in free-standing undoped graphene. With respect to other approaches, we numerically take into account the full ionic and electronic structure of real graphene and we introduce electron-electron interaction and correlation effects from first principles. Both non-hermitian and also dynamical components of the self-energy are fully taken into account. With respect to DFT-LDA, the Fermi velocity is substantially renormalized and raised by a 17%, in better agreement with magnetotransport experiments. Furthermore, close to the Dirac point the linear dispersion is modified by the presence of a kink, as observed in ARPES experiments. Our calculations show that the kink is due to low-energy $\pi \to \pi^*$ single-particle excitations and to the $\pi$ plasmon. Finally, the GW self-energy does not open the band gap.Comment: 5 pages, 4 figures, 1 tabl

Quantification of Local Hemodynamic Alterations Caused by Virtual Implantation of Three Commercially Available Stents for the Treatment of Aortic Coarctation

Patients with coarctation of the aorta (CoA) are prone to morbidity including atherosclerotic plaque that has been shown to correlate with altered wall shear stress (WSS) in the descending thoracic aorta (dAo). We created the first patient-specific computational fluid dynamics (CFD) model of a CoA patient treated by Palmaz stenting to date, and compared resulting WSS distributions to those from virtual implantation of Genesis XD and modified NuMED CP stents, also commonly used for CoA. CFD models were created from magnetic resonance imaging, fluoroscopy and blood pressure data. Simulations incorporated vessel deformation, downstream vascular resistance and compliance to match measured data and generate blood flow velocity and time-averaged WSS (TAWSS) results. TAWSS was quantified longitudinally and circumferentially in the stented region and dAo. While modest differences were seen in the distal portion of the stented region, marked differences were observed downstream along the posterior dAo and depended on stent type. The Genesis XD model had the least area of TAWSS values exceeding the threshold for platelet aggregation in vitro, followed by the Palmaz and NuMED CP stents. Alterations in local blood flow patterns and WSS imparted on the dAo appear to depend on the type of stent implanted for CoA. Following confirmation in larger studies, these findings may aid pediatric interventional cardiologists in selecting the most appropriate stent for each patient, and ultimately reduce long-term morbidity following treatment for CoA by stenting

Disentangling instrumental broadening

A new procedure aiming at disentangling the instrumental profile broadening and the relevant X-ray powder diffraction (XRPD) profile shape is presented. The technique consists of three steps: denoising by means of wavelet transforms, background suppression by morphological functions and deblurring by a Lucy--Richardson damped deconvolution algorithm. Real XRPD intensity profiles of ceria samples are used to test the performances. Results show the robustness of the method and its capability of efficiently disentangling the instrumental broadening affecting the measurement of the intrinsic physical line profile. These features make the whole procedure an interesting and user-friendly tool for the pre-processing of XRPD data.Comment: 9 pages, 1 table, 1 figure; typos correcte

Role of final state interactions in the B meson decay into two pions

We estimate final state interactions in the B-meson decays into two pions by the Regge model. We consider Pomeron exchange and the leading Regge trajectories that can relate intermediate particles to the final state. In some cases, most notably B => pi^0 pi^0 and B => pi^+ pi^-, the effect is relevant and produces a better agreement between theory and experiment.Comment: 8 pages, 6 figure

Final state interactions for B => VV charmless decays

We estimate final state interactions in the B-meson decays into two light vector mesons by the Regge model. We consider Pomeron exchange and charmed Regge trajectories that can relate intermediate charmed particles to the final state. The Regge poles have various helicity-flip residues, which allows a change from the longitudinal to transverse polarization. In this way a significant reduction of the longitudinal polarization fraction can be produced. In the factorization approximation we find agreement with recent data from the BaBar and Belle collaborations in the B => K* phi decay channel, as a result of an appropriate choice of semileptonic form factors and Regge exchanges. On the other hand, data for the K* rho decay channels appear more elusive. The soft effects discussed in the present paper are based on a model of Regge trajectories that is shown to reproduce correctly in the non-charmed case the Regge phenomenology of light mesons.Comment: 10 pages, 6 figure