The ASBM-SA turbulence closure: Taking advantage of structure-based modeling in current engineering CFD codes

Structure-based turbulence models (SBM) carry information about the turbulence structure that is needed for the prediction of complex non-equilibrium flows. SBM have been successfully used to predict a number of canonical flows, yet their adoption rate in engineering practice has been relatively low, mainly because of their departure from standard closure formulations, which hinders easy implementation in existing codes. Here, we demonstrate the coupling between the Algebraic Structure-Based Model (ASBM) and the one-equation Spalart–Allmaras (SA) model, which provides an easy route to bringing structure information in engineering turbulence closures. As the ASBM requires correct predictions of two turbulence scales, which are not taken into account in the SA model, Bradshaw relations and numerical optimizations are used to provide the turbulent kinetic energy and dissipation rate. Attention is paid to the robustness and accuracy of the hybrid model, showing encouraging results for a number of simple test cases. An ASBM module in Fortran-90 is provided along with the present paper in order to facilitate the testing of the model by interested readers.     

Measuring technical and environmental efficiency in a state-contingent technology

Most developed countries support farming activities through policies that are tailored to meet their specific social, economic and environmental objectives. Economic and environmental efficiency have recently become relevant targets of most of these policies, whose sound implementation can be enhanced by monitoring farm performance from a multidimensional perspective. This paper proposes farm-level technical and environmental efficiency measures that recognize the stochastic conditions in which production takes place. A state-contingent framework is used to model production uncertainty. An implementable representation of the technology is developed using data envelopment analysis. The application focuses on a sample of Catalan arable crop farms. Results suggest that technical efficiency is slightly lower in bad than in good growing conditions. Nitrogen pollution can decrease substantially more under good than bad growing conditions.     

Understanding the effect of inhomogeneous fuel–air mixing on knocking characteristics of various ethanol reference fuels with RON 100 using rapid compression machine

We investigated the effect of inhomogeneous mixing of a fuel–air mixture in a spark-ignition engine on knocking characteristics and the dependency of the effect on the fuel, especially for various ethanol reference fuels with a fixed RON of 100. We assumed that a locally lean spot and rich spots exist in the end gas owing to inhomogeneous mixing and calculated their thermodynamic states with a multizone spark-ignition engine simulation. Subsequently, the ignition delay around the state was measured using a rapid compression machine at varying temperatures and equivalence ratios. The obtained results were processed to calculate ξ, which is the ratio of sound speed to auto-ignition propagation speed, and $?$, defined as the time required for acoustic front to exit the hot spot divided by the excitation time. Then, we analyzed the knocking occurrence and intensity from the locally lean spot and rich spots based on Zel'dovich and Bradley's ξ–$?$ theory. Our results show that the lean spot has a shorter ignition delay than the stoichiometric mixture (ξ?>?0) regardless of the ethanol content, whereas the rich spot does not (ξ?<?0), implying that only the lean spot can initiate knocking. This is because the temperature of the lean spot is higher than the surrounding mixture owing to its higher specific heat ratio and less charge cooling effect. In addition, the knocking intensity from the lean spot is found to be maximized with ERF0, showing the largest ${\xi }^{?2}$ value. Further analysis was conducted by dividing ξ into the effect of the temperature gradient, ξ_T, and that of the equivalence ratio gradient, ξ_?. Consequently, we found that the magnitude of ξ_T is related to the activation energy of the fuel, while that of ξ_? is determined by the dependency of the pre-heat release characteristics of the fuel on the equivalence ratio.     

Modeling method and preliminary model of Asteroid Toutatis from Chang’E-2 optical images

Shape modeling is fundamental to the analysis of dynamic environment and motion around asteroid. Chang＇E- 2 successfully made a flyby of Asteroid 4179 Toutatis and obtained plenty of high-resolution images during the mis- sion. In this paper, the modeling method and preliminary model of Asteroid Toutatis are discussed. First, the optical images obtained by Chang＇E-2 are analyzed. Terrain and silhouette features in images are described. Then, the modeling method based on previous radar model and preliminary information from optical images is proposed. A preliminary polyhedron model of Asteroid Toutatis is established. Finally, the spherical harmonic coefficients of Asteroid Toutatis based on the polyhedron model are obtained. Some parameters of model are analyzed and compared. Although the model proposed in this paper is only a preliminary model, this work offers a valuable reference for future high-resolution models.     

Media pressures on Welsh language preservation

Despite compulsory school instruction in the Welsh language and strong cultural incentives to acquire the language, the most recent UK Census showed a downward trend in the number of speakers. The asymmetry in explicit language acquisition incentives is here considered to be offset by the media dominance of the English language. This dominance is modeled by the introduction of time-dependent connectivity and infectivity among English speakers into an adapted epidemiological model. Extrapolations up to 2050 are made, this being the announced date of a Welsh Assembly language-planning target of one million Welsh speakers.     

Second-Coordination Sphere Effects on Selectivity and Specificity of Heme and Nonheme Iron Enzymes

Mononuclear iron-containing enzymes are highly versatile oxidants that often react stereospecifically and/or regioselectively with substrates. Combined experimental and computational studies on heme monooxygenases, nonheme iron dioxygenases and halogenases have revealed the intricate details of the second-coordination sphere, which determine this specificity and selectivity. These second-coordination sphere effects originate from the positioning of the substrate and oxidant, which involve the binding of the co-factors and substrate into the active site of the protein. In addition, some enzymes affect the selectivity and reactivity through charge-stabilization from nearby bound cations/anions, an induced electric field or through the positioning of salt bridges and hydrogen-bonding interactions to first-coordination sphere iron ligands and/or the substrate. Examples of all of these second-coordination sphere effects in iron-containing enzymes and how these influence structure and reactivity are given.     

Addition of SiO2 to the operation of a polyimide cathode in a sodium battery

The effect of the addition of SiO₂ nanoparticles on the properties of a polyimide cathode was explored by CV, XPS, and galvanostatic cycling methods. The capacity and average cycling potential of the cell increased in the presence of SiO₂. By quantum chemical modeling, it was shown that SiO₂ nanoparticles served as a framework for polyimide, which retained its fixed structure upon metalation with sodium.