Sensitivity analysis on turbulence models for the ABL in complex terrain

Análisis de sensibilidad de modelos de turbulencia para un modelo CFD de viento aplicados a un emplazamiento en terreno complejo. Validación con datos de viento y turbulencia registrados a 3 alturas en 3 torres de medida

Computational Studies of Molecular Materials for Unconventional Energy Conversion: The Challenge of Light Emission by Thermally Activated Delayed Fluorescence

In this paper we describe the mechanism of light emission through thermally activated delayed fluorescence (TADF)—a process able to ideally achieve 100% quantum efficiencies upon fully harvesting the energy of triplet excitons, and thus minimizing the energy loss of common (i.e., fluorescence and phosphorescence) luminescence processes. If successful, this technology could be exploited for the manufacture of more efficient organic light-emitting diodes (OLEDs) made of only light elements for multiple daily applications, thus contributing to the rise of a sustainable electronic industry and energy savings worldwide. Computational and theoretical studies have fostered the design of these all-organic molecular emitters by disclosing helpful structure–property relationships and/or analyzing the physical origin of this mechanism. However, as the field advances further, some limitations have also appeared, particularly affecting TD-DFT calculations, which have prompted the use of a variety of methods at the molecular scale in recent years. Herein we try to provide a guide for beginners, after summarizing the current state-of-the-art of the most employed theoretical methods focusing on the singlet–triplet energy difference, with the additional aim of motivating complementary studies revealing the stronger and weaker aspects of computational modelling for this cutting-edge technology.Computational resources were provided by: (i) the University of Alicante under Grant No. VIGROB-108; and (ii) the Consortium des Équipements de Calcul Intensif (CÉCI), funded by the Fonds de la Recherche Scientifiques de Belgique (F.R.S.-FNRS) under Grant No. 2.5020.11

Analysis of the influence of the moment the internationalization process begins on the internationalization intensity of family and nonfamily businesses: An approach using a Tobit model

This article belongs to the Special Issue International Business Management: New Perspectives on Leadership, Strategy and Marketing.The specific characteristics of family businesses as well as the internationalization path followed can influence the intensity of the internationalization process. Many studies have analyzed how family character can influence the internationalization process of family businesses, and the results obtained have not been conclusive. Nevertheless, previous research has not sufficiently addressed the influence that the moment of initiation of the internationalization process has on the levels of internationalization achieved. Based on the behavioral agency model, the unique set of business resources (familiness), and the socioemotional wealth (SEW) perspective, this study examines, the internationalization intensity of family and nonfamily businesses in two defined groups (early internationalization and internationalization from the local market). Likewise, the effect that the entry of the second generation has on the internationalization of these companies is analyzed. To perform this analysis, Tobit regression models are estimated from a data set of panel data from the Spanish Survey on Business Strategies for small and medium-sized Spanish family businesses from 2005 to 2016, finding that family ownership and management have a negative influence on the intensity of exports, regardless of the path of internationalization followed, and that the entry of new generations has a positive relationship with the level of internationalization of these businesses. Finally, implications of the findings for research and management are discussed.UC3M. Departamento de Economía de la Empres

Parameterization of the atmospheric boundary layer for offshore wind resource assessment with a limited length-scale k-ε model

The structure of the atmospheric boundary layer (ABL) is modelled with the limited- length-scale k-ε model of Apsley and Castro. Contrary to the standard k-ε model, the limited-length-scale k-ε model imposes a maximum mixing length which is derived from the boundary layer height, for neutral and unstable atmospheric situations, or by Monin-Obukhov length when the atmosphere is stably stratified. The model is first verified reproducing the famous Leipzig wind profile. Then the performance of the model is tested with measurements from FINO-1 platform using sonic anemometers to derive the appropriate maximum mixing length

Negative Singlet–Triplet Excitation Energy Gap in Triangle-Shaped Molecular Emitters for Efficient Triplet Harvesting

The full harvesting of both singlet and triplet excitons can pave the way toward more efficient molecular light-emission mechanisms (i.e., TADF or thermally activated delayed fluorescence) beyond the spin statistics limit. This TADF mechanism benefits from low (but typically positive) singlet–triplet energy gaps or ΔEST. Recent research has suggested the possibility of inverting the order of the energy of lowest singlet and triplet excited states, thus opening new pathways to promote light emission without any energy barrier through triplet to singlet conversion, which is systematically investigated here by means of theoretical methods. To this end, we have selected a set of heteroatom-substituted triangle-shaped molecules (or triangulenes) for which ΔEST < 0 is predicted. We successfully rationalize the origin of that energy inversion and the reasons for which theoretical methods might produce qualitatively inconsistent predictions depending on how they treat n-tuple excitations (e.g., the large contribution of double excitations for all of the ground and excited states involved). Unfortunately, the time-dependent density functional theory method is unable to deal with the physical effects driving this behavior, which prompted us to use more sophisticated ab initio methods here such as SA-CASSCF, SC-NEVPT2, SCS-CC2, and SCS-ADC(2).J.C.S.G. acknowledges financial support from the “Ministerio de Ciencia e Innovación” of Spain (Grant no. PID2019-106114GB-I00). Computational resources were also provided by the “Consortium des Équipements de Calcul Intensif” (CÉCI), funded by the “Fonds de la Recherche Scientifiques de Belgique” (F.R.S.-FNRS) under Grant no. 2.5020.11. J.S.-R. acknowledges the University of Alicante for Grant no. AII2019-19. G.R. is grateful for the funding provided by the University of Namur

CFD modelling of the interaction between the Surface Boundary Layer and rotor wake. Comparison of results obtained with different turbulence models and mesh strategies

A simplified CFD wake model based on the actuator disk concept is used to simulate the wind turbine, represented by a disk upon which a distribution of forces, defined as axial momentum sources, are applied on the incoming non-uniform flow. The rotor is supposed to be uniformly loaded, with the exerted forces function of the incident wind speed, the thrust coefficient and the rotor diameter. The model is tested under different parameterizations of turbulence models and validated through experimental measurements downwind of a wind turbine in terms of wind speed deficit and turbulence intensity

RANS simulations of wind flow at the Bolund experiment

As part of their development, the predictions of numerical wind flow models must be compared with measurements in order to estimate the uncertainty related to their use. Of course, the most rigorous such comparison is under blind conditions. The following paper includes a detailed description of three different wind flow models, all based on a Reynolds-averaged Navier-Stokes approach and two-equation k-ε closure, that were tested as part of the Bolund blind comparison (itself based on the Bolund experiment which measured the wind around a small coastal island). The models are evaluated in terms of predicted normalized wind speed and turbulent kinetic energy at 2 m and 5 m above ground level for a westerly wind direction. Results show that all models predict the mean velocity reasonably well; however accurate prediction of the turbulent kinetic energy remains achallenge

Validation of a CFD wake model based on the actuator disk technique and the thrust coefficient. Preliminary results

A simplified CFD wake model based on the actuator-disk concept is used to simulate the wind turbine, represented by an actuator disk upon which a distribution of forces, defined as axial momentum sources, are applied on the incoming flow. The rotor is supposed to be uniformly loaded, with the exerted forces as a function of the incident wind speed, the thrust coefficient and the rotor diameter. The model is validated through experimental measurements downwind of a wind turbine in terms of wind speed deficit. Validation on turbulence intensity will also be made in the near future

Numerical CFD modelling of non-neutral atmospheric boundary layers for offshore wind resource assessment based on Monin-Obukhov theory

The presented works aim at proposing a methodology for the simulation of offshore wind conditions using CFD. The main objective is the development of a numerical model for the characterization of atmospheric boundary layers of different stability levels, as the most important issue in offshore wind resource assessment. Based on Monin-Obukhov theory, the steady k-ε Standard turbulence model is modified to take into account thermal stratification in the surface layer. The validity of Monin-Obukhov theory in offshore conditions is discussed with an analysis of a three day episode at FINO-1 platform

Multi-Oriented Windowed Harmonic Phase Reconstruction for Robust Cardiac Strain Imaging

The purpose of this work is to develop a method for direct estimation of the cardiac strain tensor by extending the harmonic phase reconstruction on tagged magnetic resonance images to obtain more precise and robust measurements. The extension relies on the reconstruction of the local phase of the image by means of the windowed Fourier transform and the acquisition of an overdetermined set of stripe orientations in order to avoid the phase interferences from structures outside the myocardium and the instabilities arising from the application of a gradient operator. Results have shown that increasing the number of acquired orientations provides a signi cant improvement in the reproducibility of the strain measurements and that the acquisition of an extended set of orientations also improves the reproducibility when compared with acquiring repeated samples from a smaller set of orientations. Additionally, biases in local phase estimation when using the original harmonic phase formulation are greatly diminished by the one here proposed. The ideas here presented allow the design of new methods for motion sensitive magnetic resonance imaging, which could simultaneously improve the resolution, robustness and accuracy of motion estimates