Large Eddy Simulation of the Flow Over a Three-Dimensional Hill

This paper investigates the use of LES for a flow around a three-dimensional axisymmetric hill. Two aspects of this simulation in particular are discussed here, the resolution and the inlet boundary conditions. In contrast to the LES of flows with sharp edge separations which do not require the near-wall dynamics to be fully resolved, the hill flow LES relies on the resolution of the upstream boundary layer in order to provoke the separation at a correct position. Although around 15 ×10⁶ computational cells were used, the resolution of streaky structures in the near-wall region that are important for a LES is not achieved. Two different inlet boundary conditions were used: the steady experimental profile and the time-dependent boundary conditions produced from DNS results of low Reynolds number channel flow. No significant improvement in the results was obtained with the unsteady inlet condition. This indicates that, although the unsteady inlet boundary conditions may be necessary for a successful LES of this flow, they must be followed with the resolution of the boundary layer for a successful LES.     

Grain boundary response of aluminum bicrystal under micro scale laser shock peening

Micro scale laser shock peening (μLSP) is a process in which compressive residual stresses are induced in a material surface to improve fatigue life and wear resistance under cyclic loading. Since the diameter of the laser spot used during the process is the same order of magnitude as grain size, the effects of anisotropy and heterogeneity have to be explicitly taken into account in any model of the process. In this study experimental and numerical studies have been performed in order to investigate the response of an aluminum bicrystal under laser shock peening. The grain boundary is shocked to investigate heterogeneity, and single crystals are shocked to study the effect of anisotropy in the absence of heterogeneity. The orientations of the crystals in the bicrystal as well as the reference single crystals have been chosen such that an approximate plane strain condition is achieved. A finite element model which accounts for the anisotropy, heterogeneity and inertia has also been developed based on single crystal micromechanics. Simulation results are compared with experimental findings. The potential benefit of μLSP as a surface treatment for improvement of fatigue life is also discussed.     

Numerical Study of the Aerodynamic Performance of a Train with a Crosswind for Different Embankment Heights

A numerical study using improved delayed detached eddy simulation (IDDES) was used to investigate the influence of the embankment height on the aerodynamic performance of a high-speed train travelling under the influence of a crosswind. The results of the flow predictions were used to explore both the instantaneous and the time-averaged flows and the resulting aerodynamic forces, moments and slipstreams. An increase of the aerodynamic drag and side forces as well as the lift force of the head and middle cars were observed with rising embankment height. While the lift force of the tail car decreased with the increasing embankment height. Furthermore, the height of the embankment was found to have a strong influence on the slipstream on the leeward side of the train. The correlation between the embankment height and the slipstream velocity on the windward side, was rather small. The flow structures in the near-wake of the leeward side of the train, responsible for the aerodynamic properties of the train were analyzed, showing strong dependency on the embankment height.

     

Onf-vectors and Betti numbers of multicomplexes

A multicomplexM is a collection of monomials closed under divisibility. For suchM we construct a cell complex M whosei-dimensional cells are in bijection with thef _i monomials ofM of degreei+1. The bijection is such that the inclusion relation of cells corresponds to divisibility of monomials. We then study relations between the numbersf _i and the Betti numbers of M. For squarefree monomials the construction specializes to the standard geometric realization of a simplicial complex.This work was supported by the Mittag-Leffler Institute during the Combinatorial Year program 1991–92. The second author also acknowledges support from the Serbian Science Foundation, Grant No. 0401D.     

Characterization of the active sites in MgNiAl mixed oxides by microcalorimetry and test reaction

In this study, MgNiAl mixed oxides derived from layered double hydroxide precursors were prepared by pH-controlled co-precipitation. Three samples were prepared with a (Mg²⁺ + Ni²⁺)/Al³⁺ ratio of 2 and a Ni²⁺/Mg²⁺ with ratios of 0.22, 0.47, and 4.05. The structural, textural and redox features of the oxides were investigated by a variety of techniques, including X-ray diffraction, transmission electron microscopy, N₂ physisorption, and temperature-programmed reduction. The acid and base properties were assessed by NH₃ and CO₂ adsorption microcalorimetry, respectively. The acid–base features were also investigated by testing the catalytic behaviors of the oxides for the conversion of 4-methylpentan-2-ol under both mild and stressed conditions. The reactant alcohol can undergo dehydration into 4-methylpent-1-ene, 4-methylpent-2-ene, and skeletal isomers of C₆-alkenes, as well as dehydrogenation to 4-methylpentan-2-one and higher ketones, the product selectivity being governed by the concentration and strength of the acid and base sites. Comparison between the calorimetric and test reaction results is discussed.     

Synthesis of novel tri‐benzoxazine and effect of phenolic nucleophiles on its ring‐opening polymerization

A trifunctional benzoxazine, 1,3,5‐tris(3‐phenyl‐3,4‐dihydro‐2H‐benzo[1,3]oxazin‐6‐yl)benzene (T‐Bz) was synthesized and in an effort to reduce its curing temperature (curing maxima at 238 °C), it was mixed with various phenolic nucleophiles such as phenol (PH), p‐methoxy phenol (MPH), 2‐methyl resorcinol (MR), hydroquinone (HQ), pyrogallol (PG), 2‐naphthol (NPH), 2,7‐dihydroxy naphthalene (DHN), and 1,1'‐bi‐2‐naphthol (BINOL). The influence of these phenolic nucleophiles on ring‐opening polymerization temperature of T‐Bz was examined by DSC and FTIR analysis. T‐Bz undergoes a complete ring‐opening addition reaction in the presence of bi‐ and trifunctional phenolic nucleophiles (MR/HQ/PG/DHN) at 140 °C (heated for 3 h) and forms a networked polybenzoxazine (NPBz). The NPBzs showed a high thermal stability with T_d20 of 350–465 °C and char yield of 67–78% at 500 °C; however, a diminutive weight loss (6.9–9.8%) was observed at 150–250 °C (T_d5: 215–235 °C) due to degradation of phenolic end groups. This article also gives an insight on how the traces of phenolic impurities can alter the thermal properties of pure benzoxazine monomer as well as its corresponding polymer. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54, 2811–2819     

Reconstructing obstacles by the enclosure method using the far field measurements in one step

In this work, we are concerned with the reconstruction of the obstacles by the enclosure method using the far field measurements in one step. To justify this, first we state the indicator function of the enclosure method linking directly the far field pattern to the reflected solutions corresponding to the used complex geometrical optics solutions. Second, we use layer potential techniques to derive the needed estimates of the reflected solutions. No condition on the geometry of the obstacle or on the used frequency is needed.     

Photochemical electron transfer mediated addition of naphthylamine derivatives to electron-deficient alkenes

Using photochemical electron transfer, N,N-dimethylnaphthylamine derivatives are added to α,β-unsaturated carboxylates. The addition takes place exclusively in the α-position of electron-deficient alkenes and mainly in the 4-position of N,N-dimethylnaphthalen-1-amine. A minor regioisomer results from the addition in the 5-position of this naphthylamine. A physicochemical study reveals that the fluorescence quenching of N,N-dimethylnaphthalen-1-amine is diffusion-controlled and that the back electron transfer is highly efficient. Therefore no transformation is observed at lower concentrations. To overcome this limitation and to induce an efficient transformation, minor amounts of water or another proton donor as well as an excess of the naphthylamine derivative are necessary. A mechanism involving a contact radical ion pair is discussed. Isotopic labeling experiments reveal that no hydrogen is directly transferred between the substrates. The hydrogen transfer to the furanone moiety observed in the overall reaction therefore results from an exchange with the reaction medium. An electrophilic oxoallyl radical generated from the furanone reacts with the naphthylamine used in excess. Concerning some mechanistic details, the reaction is compared with radical and electrophilic aromatic substitutions. The transformation was carried out with a variety of electron-deficient alkenes. Sterically hindered furanone derivatives are less reactive under standard conditions. In a first experiment, such a compound was transformed using heterogeneous electron transfer photocatalysis with TiO(2).     

Thermoplastic Cellulose-Based Compound for Additive Manufacturing

The increasing environmental awareness is driving towards novel sustainable high-performance materials applicable for future manufacturing technologies like additive manufacturing (AM). Cellulose is abundantly available renewable and sustainable raw material. This work focused on studying the properties of thermoplastic cellulose-based composites and their properties using injection molding and 3D printing of granules. The aim was to maximize the cellulose content in composites. Different compounds were prepared using cellulose acetate propionate (CAP) and commercial cellulose acetate propionate with plasticizer (CP) as polymer matrices, microcellulose (mc) and novel cellulose-ester additives; cellulose octanoate (C8) and cellulose palmitate (C16). The performance of compounds was compared to a commercial poly(lactic acid)-based cellulose fiber containing composite. As a result, CP-based compounds had tensile and Charpy impact strength properties comparable to commercial reference, but lower modulus. CP-compounds showed glass transition temperature (Tg) over 58% and heat distortion temperature (HDT) 12% higher compared to reference. CAP with C16 had HDT 82.1 °C. All the compounds were 3D printable using granular printing, but CAP compounds had challenges with printed layer adhesion. This study shows the potential to tailor thermoplastic cellulose-based composite materials, although more research is needed before obtaining all-cellulose 3D printable composite material with high-performance.