Magnification of Plasmon Resonances in Monolayer MoS2_{2} via Conjugated Molecular Adsorbates

The adsorption of carbon-conjugated molecules represents an established route to tune the electronic and optical properties of transition metal dichalcogenide (TMDC) monolayers. Here, we demonstrate from first principles that such a functionalization with prototypical compounds pyrene and tetracene can also enhance the magnitude of selected plasmon resonances in a MoS$_2$ single sheet, without significantly altering their energy and dispersion. Our proof-of-principle results indicate that such a magnification can be achieved by proper alignment of the molecules with respect to the direction of the transferred momentum. The distinct signatures in the loss function of the interface compared to those of its constituents suggest not only the presence of non-negligible interactions between them but also the possibility of using electron energy loss spectroscopy to detect the presence and the orientation of molecular adsorbates on TMDCs

Oxygen doping-induced photogeneration loss in P3HT:PCBM solar cells

This work investigates the loss in performance induced by molecular oxygen in bulk heterojunction solar cells. We observe that upon exposure to molecular oxygen both formation of P3HT+:O2− complex and metal oxidation at the interface between the active layer and metallic contact occur. These two different effects were separately investigated using NOBF4 as an oxidant. Our procedure has allowed studying p-doping of the active layer independently from contact degradation. A loss in photocurrent is associated with formation of P3HT+:O2− complex, which reduces the concentration of neutral P3HT present in the film in accordance with absorption and external quantum efficiency spectra. This complex is regarded as a source of a pathway of reversible degradation. Capacitance–voltage measurements allow for an accurate extraction of p-doping levels of the active layer produced by the presence of charged O2− species. In addition, one of the irreversible degradation pathways is identified to be oxidation of the metallic contact to form CaO. This oxide forms a thin dipole layer producing a voltage drop across the active layer/Ca interface, which has a direct impact on the open circuit voltage and fill factor

Enhanced controller for grid-connected modular multilevel converters in distorted utility grids

This paper is about the control of Modular multilevel converters, an innovative technology in the design of converters, which is beginning to be included in real installations. Papers about this topic include simulation models, circulating current reduction, voltage modulators, capacitor voltage balancing and control issues. The scheme for current source regulation used in this article includes all control loops, which are, from the outermost to innermost, DC bus voltage regulator, current regulator, voltage modulator, capacitor voltage balancing, and a PLL for the synchronization to the grid. Disposition-sinusoidal pulse width modulation is used as the voltage modulator, and an enhanced control strategy in the stationary reference frame for 3-phase MMCs is used for the inner current control loops. Very detailed simulations of the complete control system have been performed for both the enhanced control strategy in the stationary reference frame, and the well-known control in the synchronous reference frame, as well as some experiments using the hardware-in-the-loop simulation technique. The validation of these control strategies is made by a comparison of the capability of each one to compensate the harmonic distortions of the utility grid according to the grid code. The correct operation has been tested in the case of a strong/weak grid, unbalances and grid failures.This work has been partially supported by a grant from the Spanish Government as a part of 673 Project Ref. TEC2016-80136-P, entitled “Nuevas topologías para convertidores en MT para grandes 674 Instalaciones Fotovoltaicas” (A. B. Rey-Boué

Multiple and Precessing Collimated Outflows in the Planetary Nebula IC 4634

With its remarkable double-S shape, IC 4634 is an archetype of point-symmetric planetary nebulae (PN). In this paper, we present a detailed study of this PN using archival HST WFPC2 and ground-based narrow-band images to investigate its morphology, and long-slit spectroscopic observations to determine its kinematics and to derive its physical conditions and excitation. The data reveal new structural components, including a distant string of knots distributed along an arc-like feature 40"-60" from the center of the nebula, a skin of enhanced [O III]/H-alpha ratio enveloping the inner shell and the double-S feature, and a triple-shell structure. The spatio-kinematical study also finds an equatorial component of the main nebula that is kinematically independent from the bright inner S-shaped arc. We have investigated in detail the bow shock-like features in IC 4634 and found that their morphological, kinematical and emission properties are consistent with the interaction of a collimated outflow with surrounding material. Indeed, the morphology and kinematics of some of these features can be interpreted using a 3D numerical simulation of a collimated outflow precessing at a moderate, time-dependent velocity. Apparently, IC 4634 has experienced several episodes of point-symmetric ejections oriented at different directions with the outer S-shaped feature being related to an earlier point-symmetric ejection and the outermost arc-like string of knots being the relic of an even much earlier point-symmetric ejection. There is tantalizing evidence that the action of these collimated outflows has also taken part in the shaping of the innermost shell and inner S-shaped arc of IC 4634.Comment: 16 pages, 11 figures, accepted for publication in The Astrophysical Journa

Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe

This paper is the first of three that overview the main mechanisms that drive the microstructure evolution in Fe alloys under irradiation. It focuses on pure α-Fe and compiles the parameters that describe quantitatively the mobility and stability of point-defects and especially their clusters, including possible reactions and criteria to decide when they should react. These parameters are the result of several years of calculations and application in microstructure evolution models. They are mainly collected from the literature and the parameter choice tries to reconcile different sets of values that, while being in general qualitatively similar, are often quantitatively not coincident. A few calculation results are presented here for the first time to support specific approximations concerning defect properties or features. Since calculations cannot cover all possible defect configurations, the definition of these parameters often requires educated guesses to fill knowledge gaps. These guesses are here listed and discussed whenever relevant. This is therefore a “hands-on” paper that: (i) collects in a single report most microstructure evolution parameters that are found in the literature for irradiated α-Fe, including a discussion of the most important mechanisms at play based on current knowledge; (ii) selects a ready-to-use set that can be employed in microstructure evolution models, such as those based on object kinetic Monte Carlo (OKMC) methods. This work also identifies parameters that are needed, but not known, hopefully prompting corresponding calculations in the future.This work has received funding from the Euratom research and training programme 2014-2018 under grant agreement No. 755039 (M4F project). This research also contributes to the Joint Programme on Nuclear Materials of the European Energy Research Alliance (EERA-JPNM)

Shaping point- and mirror-symmetric proto-planetary nebulae by the orbital motion of the central binary system

We present 3D hydrodynamical simulations of a jet launched from the secondary star of a binary system inside a proto-planetary nebula. The secondary star moves around the primary in a close eccentric orbit. From the gasdynamic simulations we compute synthetic [NII] 6583 emission maps. Different jet axis inclinations with respect to the orbital plane, as well as different orientations of the flow with respect to the observer are considered. For some parameter combinations, we obtain structures that show point- or mirror-symmetric morphologies depending on the orientation of the flow with respect to the observer. Furthermore, our models can explain some of the emission distribution asymmetries that are summarized in the classification given by Soker & hadar (2002).Comment: 15 pages, 3 figures, 2 tables, Accepted in Apj Letter

El cambio evolutivo en el nicho de germinación de dos especies relacionadas dentro del clado Neoporteria (Cactaceae) es idiosincrático al tipo de hábitat

An appropriate germination response to environmental conditions is the first requirement for the establishment of a plant in a determined geographic area; therefore changes in the germination niche may be critical in configuring the current pattern of species distributions. Furthermore, the spread of many Neotropical groups to higher latitudes are constrained by the combination of cold and humid conditions. This raises the question whether evolutionary trends in germination niche are essential for the mechanism that allows the colonization of edge habitats characterized by humid and cold conditions. Here, we evaluated the variation of seed germination probabilities of two species of cacti (Neoporteria clade), closely related but endemic to habitats with different temperature and water availability conditions. The germination niche and differences in germination performance of Eriosyce subgibbosa and E. villosa were evaluated, using common garden experiments and varying temperature and soil water potential (?) conditions. Seeds of E. subgibbosa showed overall higher germination probabilities compared to E. villosa. Interestingly, most of the detected differences on seed germination performance are related with a higher ability of E. subgibbosa seeds to germinate under conditions with more water availability and under colder conditions compared to E. villosa seed germination. This study highlights one of the critical features that could be involved in the mechanism that leads to the expansion of the Neoporteria clade to more mesic habitats. Particularly the adaptation of the germination niche of E. subgibbosa may allow an expansion from an arid habitat that characterized basal species of the group (plesiomorphic state) to more humid and cold habitats.Una respuesta apropiada a las condiciones ambientales es el primer requisito para el establecimiento de una planta en un área geográfica, por lo tanto cambios en el nicho de germinación podrían ser críticos en configurar el actual patrón de distribución de especies. Además, la propagación de muchos grupos de origen neotropical hacia altas latitudes está limitada por la combinación de condiciones frías y alta humedad. Esto lleva a preguntarse si las tendencias evolutivas en el nicho de la germinación son esenciales en el mecanismo que permite la colonización del borde del hábitat caracterizado por ser frío y húmedo. Por ello, evaluamos la variación en las probabilidades de germinación de dos especies de cactáceas (clado Neoporteria), cercanamente relacionadas pero endémicas a hábitats con diferentes condiciones de temperatura y disponibilidad de agua. Usando experimentos de jardín común se varió la temperatura y el potencial osmótico del sustrato (?), se caracterizó el nicho evaluando las diferencias germinativas en Eriosyce subgibbosa y E. villosa. Las semillas de E. subgibbosa mostraron en general mayor germinación que las semillas de E. villosa. Interesantemente, la mayoría de las diferencias detectadas en la germinación de semillas están relacionadas con la mayor habilidad de las semillas de E. subgibbosa a germinar bajo condiciones de mayor disponibilidad hídrica y menores temperaturas comparado con la germinación de E. villosa. Este estudio llama la atención sobre uno de los aspectos críticos que podrían estar involucrados con el mecanismo que podría llevar la expansión del clado Neoporteria a hábitats más mésicos. Particularmente la adaptación del nicho de germinación de E. subgibbosa podría permitir la expansión en la distribución de un habitat árido que caracteriza a las especies basales del grupo como E. villosa (carácter plesiomórfico) hacia hábitats más húmedos y fríos

Bryophyllum (Crassulaceae): especies ornamentales naturalizadas en la Argentina

Este trabajo incluye cuatro especies ornamentales de Bryophyllum (Crassulaceae): B. daigremontianum (Raym.-Hamet & H.Perrier) A.Berger, B. delagoense (Eckl. & Zeyh.) Schinz, B. fedtschenkoi (Raym.-Hamet & H.Perrier) Lauz.-March. y B. pinnatum (Lam.) Oken, naturalizadas en la Argentina. Las tres primeras son nuevas citas para el país; para B. pinnatum, citada con anterioridad, se amplía su área. Se incluye una clave para la identificación de las especies, descripciones, distribución, datos etnobotánicos, observaciones, material de referencia y comentarios sobre su naturalizació

Efficient multi-fidelity computation of blood coagulation under flow

Clot formation is a crucial process that prevents bleeding, but can lead to severe disorders when imbalanced. This process is regulated by the coagulation cascade, a biochemical network that controls the enzyme thrombin, which converts soluble fibrinogen into the fibrin fibers that constitute clots. Coagulation cascade models are typically complex and involve dozens of partial differential equations (PDEs) representing various chemical species’ transport, reaction kinetics, and diffusion. Solving these PDE systems computationally is challenging, due to their large size and multi-scale nature. We propose a multi-fidelity strategy to increase the efficiency of coagulation cascade simulations. Leveraging the slower dynamics of molecular diffusion, we transform the governing PDEs into ordinary differential equations (ODEs) representing the evolution of species concentrations versus blood residence time. We then Taylor-expand the ODE solution around the zero-diffusivity limit to obtain spatiotemporal maps of species concentrations in terms of the statistical moments of residence time, , and provide the governing PDEs for . This strategy replaces a high-fidelity system of N PDEs representing the coagulation cascade of N chemical species by N ODEs and p PDEs governing the residence time statistical moments. The multi-fidelity order (p) allows balancing accuracy and computational cost providing a speedup of over N/p compared to high-fidelity models. Moreover, this cost becomes independent of the number of chemical species in the large computational meshes typical of the arterial and cardiac chamber simulations. Using a coagulation network with N = 9 and an idealized aneurysm geometry with a pulsatile flow as a benchmark, we demonstrate favorable accuracy for low-order models of p = 1 and p = 2. The thrombin concentration in these models departs from the high-fidelity solution by under 20% (p = 1) and 2% (p = 2) after 20 cardiac cycles. These multi-fidelity models could enable new coagulation analyses in complex flow scenarios and extensive reaction networks. Furthermore, it could be generalized to advance our understanding of other reacting systems affected by flow.MGH, MGV and OF have been partially supported by the Spanish Research Agency and the European Regional Development Fund, under grant number PID2019-107279RB-I00. MGH, MGV, PML, JB and OF have been partially supported by the Comunidad de Madrid and the European Regional Development Fund, under grant number Y2018/BIO-4858 PREFI-CM, and by the Instituto de Salud Carlos III and the European Regional Development Fund, under grant numbers PI15/02211-ISBITAMI and DTS/1900063-ISBIFLOW. AG, EMcV, AK and JCdA have been partially supported by the US National Institutes of Health, under grant 1R01HL160024. JCdA has been partially supported by the US National Insitutes of Health, under grant number 1R01HL158667