Directed Growth of Hydrogen Lines on Graphene: High Throughput Simulations Powered by Evolutionary Algorithm

We set up an evolutionary algorithm combined with density functional tight-binding (DFTB) calculations to investigate hydrogen adsorption on flat graphene and graphene monolayers curved over substrate steps. During the evolution, candidates for the new generations are created by adsorption of an additional hydrogen atom to the stable configurations of the previous generation, where a mutation mechanism is also incorporated. Afterwards a two-stage selection procedure is employed. Selected candidates act as the parents of the next generation. In curved graphene, the evolution follows a similar path except for a new mechanism, which aligns hydrogen atoms on the line of minimum curvature. The mechanism is due to the increased chemical reactivity of graphene along the minimum radius of curvature line (MRCL) and to sp$^3$ bond angles being commensurate with the kinked geometry of hydrogenated graphene at the substrate edge. As a result, the reaction barrier is reduced considerably along the MRCL, and hydrogenation continues like a mechanical chain reaction. This growth mechanism enables lines of hydrogen atoms along the MRCL, which has the potential to overcome substrate or rippling effects and could make it possible to define edges or nanoribbons without actually cutting the material.Comment: 10 pages of main text, 37 pages of supplementary information, 1 supplementary vide

Compensation profiles among private sector employees in Sweden: Differences in work-related and health-related outcomes

How experiences and perceptions of pay and pay setting relate to employees’ job performance, willingness to remain in the organization, and health has been the subject of much debate. Previous research has typically used a variable-centered approach to investigate associations between different pay-related factors and such outcomes. In contrast, we used latent profile analysis to explore combinations of compensation characteristics (pay level, perceived horizontal pay dispersion, and procedural quality, i.e., transactional leadership and procedural pay-setting justice), combining relevant theories on the subject. Based on a nationally representative sample of private sector employees in Sweden (N = 1,146), our study identified six compensation profiles. Our key findings show, first, that higher levels of pay were generally associated with better performance, lower turnover intention, better self-rated health, and lower work-related exhaustion, especially when combined with perceptions of high procedural quality. Second, in terms of perceived horizontal pay dispersion, the results indicate that pay compression may be associated with beneficial outcomes, particularly when combined with high procedural quality. Third, procedural quality was generally associated with favorable work-related and health-related outcomes, although such positive effects may be contingent upon pay level and perceived horizontal pay dispersion. In conclusion, while pay level, perceptions of horizontal pay dispersion, and procedural quality may all matter for employee outcomes, it is important to consider their combinations

Air bubbles are released by thoracic endograft deployment: An in vitro experimental study

Purpose: Embolic stroke is a dreaded complication of thoracic endovascular aortic repair. The prevailing theory about its cause is that particulate debris from atherosclerotic lesions in the aortic wall are dislodged by endovascular instruments and embolize to the brain. An alternative source of embolism might be air trapped in the endograft delivery system. The aim of this experimental study was to determine whether air is released during deployment of a thoracic endograft. Methods: In an experimental benchtop study, eight thoracic endografts (five Medtronic Valiant Thoracic and three Gore TAG) were deployed in a water-filled transparent container drained from air. Endografts were prepared and deployed according to their instructions for use. Deployment was filmed and the volume of air released was collected and measured in a calibrated syringe. Results: Air was released from all the endografts examined. Air volumes ranged from 0.1 to 0.3 mL for Medtronic Valiant Thoracic and from <0.025 to 0.04 mL for Gore TAG. The largest bubbles had a diameter of approximately 3 mm and came from the proximal end of the Medtronic Valiant device. Conclusion: Air bubbles are released from thoracic endografts during deployment. Air embolism may be an alternative cause of stroke during thoracic endovascular aortic repair

Large contribution of virtual Delbrueck scattering to the emission of photons by relativistic nuclei in nucleus-nucleus and electron-nucleus collisions

Delbrueck scattering is an elastic scattering of a photon in the Coulomb field of a nucleus via a virtual electron loop. The contribution of this virtual subprocess to the emission of a photon in the collision of ultra-relativistic nuclei Z_1 Z_2 -> Z_1 Z_2 gamma is considered. We identify the incoming virtual photon as being generated by one of the relativistic nuclei involved in the binary collision and the scattered photon as being emitted in the process. The energy and angular distributions of the photons are calculated. The discussed process has no infrared divergence. The total cross section obtained is 14 barn for Au-Au collisions at the RHIC collider and 50 barn for Pb-Pb collisions at the LHC collider. These cross sections are considerably larger than those for ordinary tree-level nuclear bremsstrahlung in the considered photon energy range m_e << E_\gamma << m_e gamma, where gamma is the Lorentz factor of the nucleus. Finally, photon emission in electron-nucleus collisions e Z -> e Z gamma is discussed in the context of the eRHIC option.Comment: 10 pages; 7 figure