Quasiclassical trajectory calculations for Li(2(2)P(J)) + H2 → LiH(X(1)Σ+) + H: influence by vibrational excitation and translational energy

Ab initio potential energy surfaces and the corresponding analytical energy functions of the ground 1A' and excited 2A' states for the Li(2(2)P) plus H(2) reaction are constructed. Quasiclassical trajectory calculations on the fitted energy functions are performed to characterize the reactions of Li(2(2)P) with H(2)(v = 0, j = 1) and H(2)(v = 1, j = 1) as well as the reaction when the vibrational energy is replaced by collision energy. For simplicity, the transition probability is assumed to be unity when the trajectories go through the crossing seam region and change to the lower surface. The calculated rotational distributions of LiH(v = 0) for both H(2)(v = 0, j = 1) and H(2)(v = 1, j = 1) reactions are single-peaked with the maximum population at j' = 7, consistent with the previous observation. The vibrational excitation of H(2)(v = 1) may enhance the reaction cross section of LiH(v' = 0) by about 200 times, as compared to a result of 93-107 reported in the experimental measurements. In contrast, the enhancement is 3.1, if the same amount of energy is deposited in the translational states. This endothermic reaction can be considered as an analog of late barrier. According to the trajectory analysis, the vibrational excitation enlarges the H-H distance in the entrance channel to facilitate the reaction, but the excess energy may not open up additional reaction configuration.     

Dual optical sensor for oxygen and temperature based on the combination of time domain and frequency domain techniques

In measuring specific conditions in the real world, there are many situations where both the oxygen concentration and the temperature have to be determined simultaneously. Here we describe a dual optical sensor for oxygen and temperature that can be adapted for different applications. The measurement principle of this sensor is based on the luminescence decay times of the oxygen-sensitive ruthenium complex tris-4,7-diphenyl-1,10-phenanthroline ruthenium(III) [Rudpp] and the temperature-sensitive europium complex tris(dibenzoylmethane) mono(5-amino-1,10-phenanthroline)europium(III) [Eudatp]. The excitation and emission spectra of the two luminophores overlap significantly and cannot be discriminated in the conventional way using band pass filters or other optical components. However, by applying both the frequency and time domain techniques, we can separate the signals from the individual decay time of the complexes. The europium complex is entrapped in a poly(methyl methacrylate) (PMMA) layer and the ruthenium complex is physically adsorbed on silica gel and incorporated in a silicone layer. The two layers are attached to each other by a double sided silicone based tape. The europium sensing film was found to be temperature-sensitive between 10 and 70 °C and the ruthenium oxygen-sensitive layer can reliably measure between 0 and 21% oxygen.     

Cell formation using fuzzy relational clustering algorithm

Cellular manufacturing is a useful way to improve overall manufacturing performance. Group technology is used to increase the productivity for manufacturing high quality products and improving the flexibility of manufacturing systems. Cell formation is an important step in group technology. It is used in designing good cellular manufacturing systems. The key step in designing any cellular manufacturing system is the identification of part families and machine groups for the creation of cells that uses the similarities between parts in relation to the machines in their manufacture. There are two basic procedures for cell formation in group technology. One is part-family formation and the other is machine–cell formation. In this paper, we apply a fuzzy relational data clustering algorithm to form part families and machine groups. A real data study shows that the proposed approach performs well based on the grouping efficiency proposed by Chandrasekharan and Rajagopalan.     

Hybrid AMR/PHR ring sensor

The AMR (anisotropic magnetoresistance) and PHR (planar Hall resistance) contribution was analyzed for fabricated ring type sensor junctions in single and multiring bridge sensors, and their field sensitivity was examined. The voltage profile, i.e. the sum of AMR and PHR effects, reveal anti-symmetric behavior with the magnetic field with small offsets due to the self-balancing of ring arm resistances, but the voltage variations for the external field are additive for all junction components. The field sensitivity of the resistance for a single ring sensor is , and its value monotonously increased to for 17 rings with an enhanced active area.     

Dynamical electroweak symmetry breaking with a heavy fourth generation

A heavy fourth generation with a mass of the order of 400 GeV or more could trigger dynamical electroweak symmetry breaking by forming condensates through the exchange of a fundamental Higgs scalar doublet. The dynamics leading to these condensates is studied within the framework of the Schwinger–Dyson equation. This scenario leads to the presence of three (two composite and one fundamental) Higgs doublets, with interesting phenomenological implications. In addition, this dynamical phenomenon occurs in the vicinity of the energy scale where the restoration of scale symmetry might happen.     

Solvent-based assembly of CdSe nanorods in solution

We demonstrate a purely solvent-based approach to assembling CdSe nanorods into vertically aligned, hexagonally packed monolayers in solution. Nanorods were dispersed in a mixture of good solvent with high vapor pressure and bad solvent with low vapor pressure, and preferential evaporation of the good solvent led to ordered assembly under conditions of continuously decreasing solvent quality. No applied external bias, extensive control of drying conditions, exceptionally monodisperse nanoparticles, or high concentrations of additives were required. This clean and facile method yielded ordered nanorod sheets of up to 7.5 μm wide with potential use as active materials in unique applications.     

Preparation and characterization of an ordered 1-dodecanethiol monolayer on bare Si(111) surface

We have grown 1-dodecandthiol (DDT) monolayer on a bare Si(111) surface through ultraviolet-assisted photochemical reaction. The resulting monolayer was investigated by means of water contact angle measurement, synchrotron radiation-based high-resolution X-ray photoelectron spectroscopy, and polarization-dependent near-edge X-ray absorption fine structure spectroscopy. These combined probes for characterization reveal a hydrophobic ambient surface; the DDT was directly attached to Si through a Si-S bond, and the molecules formed an ordered monolayer with an average tilt angle of 57° of the alkyl chains relative to the substrate surface.     

Electrophilic substitution reactions of metallabenzynes

The electrophilic substitution reactions of metallabenzynes Os(≡CC(R)═C(CH(3))C(R)═CH)Cl(2)(PPh(3))(2) (R = SiMe(3), H) were studied. These metallabenzynes react with electrophilic reagents, including Br(2), NO(2)BF(4), NOBF(4), HCl/H(2)O(2), and AlCl(3)/H(2)O(2) to afford the corresponding bromination, nitration, nitrosation, and chlorination products. The reactions usually occur at the C2 and C4 positions of the metallacycle. These observations support the notion that metallabenzynes exhibit aromatic properties.     

Determination of Trace Chloroanilines in Environmental Water Samples Using Hollow Fiber-Based Liquid Phase Microextraction

A liquid phase microextraction method using hollow fiber to support extraction solvent was developed for enrichment of trace level chloroanilines in environmental water samples. Target analytes, 2-chloroaniline, 3-chloroaniline, 2,3-dichloroaniline, 2,4-dichloroaniline, 3,4-dichloroaniline, and 3,5-dichloroaniline were determined using gas chromatography-flame ionization detector after extraction. Experimental conditions that affect extraction efficiency were investigated and optimized. The proposed method showed a wide linear range from lower ??g L^?1 to 1,000 ??g L^?1, low detection limits (??5.1 ??g L^?1), and reasonable relative standard deviations (RSDs < 13%). Feasibility of the method was evaluated by analyzing river water samples collected from the Hudson River and the East River in New York City.