Electron-hole pairs during the adsorption dynamics of O2 on Pd(100) - Exciting or not?

During the exothermic adsorption of molecules at solid surfaces dissipation of the released energy occurs via the excitation of electronic and phononic degrees of freedom. For metallic substrates the role of the nonadiabatic electronic excitation channel has been controversially discussed, as the absence of a band gap could favour an easy coupling to a manifold of electronhole pairs of arbitrarily low energies. We analyse this situation for the highly exothermic showcase system of molecular oxygen dissociating at Pd(100), using time-dependent perturbation theory applied to first-principles electronic-structure calculations. For a range of different trajectories of impinging O2 molecules we compute largely varying electron-hole pair spectra, which underlines the necessity to consider the high-dimensionality of the surface dynamical process when assessing the total energy loss into this dissipation channel. Despite the high Pd density of states at the Fermi level, the concomitant non-adiabatic energy losses nevertheless never exceed about 5% of the available chemisorption energy. While this supports an electronically adiabatic description of the predominant heat dissipation into the phononic system, we critically discuss the non-adiabatic excitations in the context of the O2 spin transition during the dissociation process.Comment: 20 pages including 7 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.html [added two references, changed V_{fsa} to V_{6D}, modified a few formulations in interpretation of spin asymmetry of eh-spectra, added missing equals sign in Eg.(2.10)

Right ventricular outflow tract reconstruction using a valved biological conduit (Hancock conduit) late after Tetralogy of Fallot surgical correction

OBJECTIVES: The most appropriate strategy in the management of right ventricular outflow tract (RVOT) reconstruction in patients with tetralogy of Fallot early repair and late failure of right ventricle to pulmonary artery continuity is still debated. This study addresses this issue by evaluating retrospectively 12 years experience in this kind of reconstruction, focusing exclusively on the performance of Hancock conduits. METHODS: Data from 32 patients with an early repaired Tetralogy of Fallot, 23 males and 9 females, who underwent 34 RVOT reconstruction (2 were reinterventions) with Hancock conduit at Fondazione Toscana "G. Monasterio" Pediatric Cardiac Surgery department, Massa, Italy between February 2003 and May 2015 were retrospectively reviwed. Median age was 17,6 +/- 11,32 years (range 13 months to 41 years and 8 months), mean BSA 1,4 +/- 0,54m2 (0,34 m2 minimum and 2,12 m2 most), mean height 148,1 +/- 33,6 cm (range 61 cm to 195 cm) and mean weight 49,5 +/- 26,35 Kg (range 6,9 Kg to 96 Kg). The RV-PA peak gradient, RV mean pressure and pulmonary regurgitation were measured before and after the surgical conduit implantation and on follow-up, in addition RV end-diastolic volume index was measured, when feasible, before and after Hancock implantation. RESULTS: The early 30 days mortality was 6,25% and not related to conduit failure. Complete follow-up was feasible in 27 patients and the mean duration was 31,6 +/- 34,42 months. The observed RV-PA peak gradient means were 60,4 +/- 30,06 mmHg preoperatively, 29,1 +/- 11,48 mmHg postoperatively and 45,3 +/- 26,02 mmHg on the last follow-up; RV mean pressures were 53,3 +/- 27,73 mmHg preoperatively 41,6 +/- 12,71 mmHg postoperatively and 53,6 +/- 18,8 mmHg on the last follow-up; RV end-diastolic volume index means were 218,3 +/- 57,94 ml/m2 before surgery and 126,1 +/- 14,49 ml/m2 after surgery. Conduit failure was observed in 5 patients in which the the mean freedom from conduit failure was 70,56 +/- 15,02 months (mean age at failure 6,86 +/- 1,78 years), in 4 of them percutaneous intervention were attempted (2 ballooning and 2 melody), 2 successful. DISCUSSION: From our series the Hancock conduit can be actually considered as a valuable solution for RVOT reconstruction in already operated patients with ToF, considering good RV pressures and gradients values even after up to 9 years of follow up

Symmetric Versus Nonsymmetric Structure of the Phosphorus Vacancy on InP(110)

The atomic and electronic structure of positively charged P vacancies on InP(110) surfaces is determined by combining scanning tunneling microscopy, photoelectron spectroscopy, and density-functional theory calculations. The vacancy exhibits a nonsymmetric rebonded atomic configuration with a charge transfer level 0.75+-0.1 eV above the valence band maximum. The scanning tunneling microscopy (STM) images show only a time average of two degenerate geometries, due to a thermal flip motion between the mirror configurations. This leads to an apparently symmetric STM image, although the ground state atomic structure is nonsymmetric.Comment: 5 pages including 3 figures. related publications can be found at http://www.fhi-berlin.mpg.de/th/paper.htm

Islamic labeled firms: Revisiting Dow Jones measure of compliance

Billions of dollars, across 131 countries, are invested in Islamic law‐compliant funds that are often promoted as consistent with the spirit and overall objectives of Islam (Maqasid Al‐Sharia), thereby indicating they are more socially responsible, less risky, and less prone to failure. The empirical results of this study indicate that Shariah‐compliant firms identified by the Dow Jones do not have higher corporate social responsibility (CSR) scores, lower risk, or lower likelihood of failure than non‐compliant firms. We address endogeneity using the instrumental variable (IV) approach and selection bias using propensity score matching (PSM). Our results are similar when using the Dow Jones Islamic Market World, the Financial Times Stock Exchange Islamic Index, and the Hong Kong and Shanghai Banking Corporation indices and when using CSR scores provided by multiple databases. We create an index to measure compliance with Islamic law that overcomes several flaws in the binary measures currently employed in the industry. This index can help Shariah‐compliant funds to fulfill their promise by constructing portfolios that are both compliant with Islamic rulings and consistent with the spirit and objectives of Islam in being more socially responsible, less risky, and less prone to failure

Developing serious games for cultural heritage: a state-of-the-art review

Although the widespread use of gaming for leisure purposes has been well documented, the use of games to support cultural heritage purposes, such as historical teaching and learning, or for enhancing museum visits, has been less well considered. The state-of-the-art in serious game technology is identical to that of the state-of-the-art in entertainment games technology. As a result, the field of serious heritage games concerns itself with recent advances in computer games, real-time computer graphics, virtual and augmented reality and artificial intelligence. On the other hand, the main strengths of serious gaming applications may be generalised as being in the areas of communication, visual expression of information, collaboration mechanisms, interactivity and entertainment. In this report, we will focus on the state-of-the-art with respect to the theories, methods and technologies used in serious heritage games. We provide an overview of existing literature of relevance to the domain, discuss the strengths and weaknesses of the described methods and point out unsolved problems and challenges. In addition, several case studies illustrating the application of methods and technologies used in cultural heritage are presented