On the discrete groups of Moonshine

We characterize the 171 discrete subgroups of occurring in Monstrous Moonshine in terms of their group-theoretic properties alone.

     

Flexible electrospun PET/TiO2 nanofibrous structures: Morphology,thermal and mechanical properties

In this study, a solvothermal method was used to synthesize anatase titanium dioxide (TiO₂) nanoparticles in the presence of oleic acid (OA) and oleylamine (OM) as morphology‐directing agents. Functional nanocomposite fibers of poly(ethylene terephtalate) (PET) containing surfactants‐capped TiO₂ nanoparticles were developed by electrospinning technique. The morphology, thermal stability and mechanical properties of PET/TiO₂ nanocomposite mats were investigated as a function of TiO₂ concentration. Morphology investigation showed interesting results in terms of the level of TiO₂ dispersion inside the fibers and the improvement of the quality (smoothness) of the fibers' surface when the synthesized nanorhombic TiO₂ nanoparticles were used compared to a commercial P25 TiO₂ (AEROXIDE P25)_. The presence of OA and OM on the surface of the nanorhombic synthesized TiO₂ led to a significant improvement of TiO₂ dispersion inside the PET matrix. Furthermore, the physical interaction between the PET matrix and TiO₂ nanoparticles resulted in an enhanced thermal stability, and an increase of the Young's modulus and tensile strength for TiO₂ concentration up to 10 wt%.     

Tailoring hyper-heuristics to specific instances of a scheduling problem using affinity and competence functions

Hyper-heuristics are high level heuristics which coordinate lower level ones to solve a given problem. Low level heuristics, however, are not all as competent/good as each other at solving the given problem and some do not work together as well as others. Hence the idea of measuring how good they are (competence) at solving the problem and how well they work together (their affinity). Models of the affinity and competence properties are suggested and evaluated using previous information on the performance of the simple low level heuristics. The resulting model values are used to improve the performance of the hyper-heuristic by tailoring it not only to the specific problem but the specific instance being solved. The test case is a hard combinatorial problem, namely the Hybrid Flow Shop scheduling problem. Numerical results on randomly generated as well as real-world instances are included.     

Are closed clusters expected from the (n + 1) skeletal electron pairs rule in alanes and gallanes? A DFT structural study of AnHn + 2 (A = Al, Ga, and n = 4-6)

It has been suggested recently that the alanes Al_nH_n + 2 can be treated by the polyhedral skeletal electron pair theory (PSEPT) of Wade and Mingos (W-M) as it was successful for their borane congeners such as B_nH_n + 2, well known as the deprotonated B_nH_n²⁻. To do so, the neutral Al_nH_n + 2 have been considered as Al_nH_n²⁻ + 2H⁺. The additional hydrogens donate their electrons to the Al_nH_n polyhedral framework and according to the n + 1 electron pairs rule; these clusters should have closo-polyhedral structures. In this work the homologous gallanes, the structures and stabilities of Ga_nH_n + 2 are studied at high levels of calculational theory and we investigated the applicability of the W-M rule to the alanes and gallanes A_nH_n + 2 (n = 4-6; A = Al, Ga). It will be shown that the presence of bridging hydrogen atoms reduces the compactness of the corresponding polyhedron and so these species do not have the closed structures. The computations were performed at B3LYP/6-311+G(d,p), BPW91/6-311G(d,p) and B3LYP/6-311+G(3df,2p) levels of theory. Our interest in these compounds includes their potential use as hydrogen storage species and future clean sources of energy.     

Cooling Cycle Optimization for a Vuilleumier Refrigerator

Vuilleumier refrigerators are a special type of heat-driven cooling machines. Essentially, they operate by using heat from a hot bath to pump heat from a cold bath to an environment at intermediate temperatures. In addition, some external energy in the form of electricity can be used as an auxiliary driving mechanism. Such refrigerators are, for example, advantageous in situations where waste heat is available and cooling power is needed. Here, the question of how the performance of Vuilleumier refrigerators can be improved is addressed with a particular focus on the piston motion and thus the thermodynamic cycle of the refrigerator. In order to obtain a quantitative estimate of the possible cooling power gain, a special class of piston movements (the AS motion class explained below) is used, which was already used successfully in the context of Stirling engines. We find improvements of the cooling power of more than 15%.     

ChemInform Abstract: G2(MP2) Molecular Orbital Study of [H3AlXH3]‐ (X: C,Si, and Ge) and H3AlYH3 (Y: N,P, and As) Complexes.

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