Improved excitation uniformity in multiple‐quantum NMR experiments of mixtures

Multiple‐quantum ¹H NMR spectroscopy has been finding a renewed interest for its possible applications in the analysis of mixtures of small molecules, due to its simplification properties. A crucial aspect of this application of multiple‐quantum NMR is the sensitivity of the spectrum intensity to the molecular structure and to the parameterization of the experiment, which could result in the missing of some components. We demonstrate that a general scheme to overcome this drawback consists in varying the experiment parameterizations over a small number of values, selected according the values of the couplings and the relaxation rates. Copyright © 2013 John Wiley & Sons, Ltd.     

On the formation mechanism for electrically generated exciplexes in a carbazole–pyridine copolymer

Although carbazole‐containing copolymers are frequently used as hole‐transporting host materials for polymer organic light‐emitting diodes (OLEDs), they often suffer from the formation of undesired exciplexes when the OLED is operated. The reason why exciplexes sometimes form for electrical excitation, yet not for optical excitation is not well understood. Here, we use luminescence measurements and quantum chemical calculations to investigate the mechanism of such exciplex formation for electrical excitation (electroplex formation) in a carbazole–pyridine copolymer. Our results suggest that the exciplex is formed via a positively charged interchain precursor complex. This complex is stabilized by interactions that involve the nitrogen lone pairs on both chain segments. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012     

Three‐dimensional computation for flow‐induced vibrations in in‐line and cross‐flow directions of a circular cylinder

We present numerical results for in‐line and cross‐flow vibrations of a circular cylinder, which is immersed in a uniform flow and is elastically supported by damper‐spring systems to compute vibrations of a rigid cylinder. In the case of a circular cylinder with a low Scruton number, it is well‐known that two types of self‐excited vibrations appear in the in‐line direction in the range of low reduced velocities. On the other hand, a cross‐flow vibration of the circular cylinder can be excited in the range of high reduced velocities. Therefore, we compute the flow‐induced vibrations of the circular cylinder in the wide range of the reduced velocities at low and high Scruton numbers and discuss about excitation mechanisms in the in‐line and cross‐flow directions. Copyright © 2011 John Wiley & Sons, Ltd.     

On some measurements of the propagation properties of thermal waves in the Nb-H and Ta-H systems

Summary By means of an experimental technique based on a nonsteady-state method,i.e. on the propagation of thermal waves, we have measured at room temperature for oscillation frequencies between 6 and 30 mHz the thermal diffusivity, the lateral thermal-loss coefficient and the ?fractional heat loss? in Nb and Ta wires as a function of hydrogen doping. The appearance of hydride formation and precipitation notably changes the behaviour of these quantities. From these measurements it was also possible to calculate the propagation velocity and attenuation coefficient of thermal waves. It was found that the increase of the hydrogen concentration in the solid solution produces a gradual decrease in the velocity and increase in the attenuation coefficient until the solubility limit is reached. For larger hydrogen concentrations, the velocity showed a tendency to increase towards the value of the pure metal, while the attenuation coefficient decreased below the value of the pure metal. These results as a whole appear quite promising for studying the properties of hydrogenated systems. This work was supported by the Gruppo Nazionale di Struttura della Materia of the Consiglio Nazionale delle Ricerche and by the Centro Interuniversitario di Struttura della Materia of the M.P.I., Roma (Italia).     

Auxiliary-field Monte Carlo methods

I discuss Monte Carlo algorithms for quantum many-body systems that employ an auxiliary field to linearize a two-body interaction. These reduce the evaluation of the partition function to sampling many one-body evolutions in a fluctuating field. Fermions and bosons are treated on an equal footing. Applications to potential models and to quantum spin systems are discussed. This work was supported in part by the National Science Foundation, grants PHY82-07332 and PHY85-05682. The potential-model studies were done in collaboration with G. Sugiyama, while A. Khan and T. Troudet were responsible for the work on the quantum spin systems.     

Transition radiation from polarization charges

Summary A treatment of transition radiation is presented. This is based on the fields produced by the polarization charges in the radiation zone. These charges are extracted from the exact forms of the fields which were derived previously. A distinction is found between the radiation in the forward and in the backward regions. This would call for experimental verification. Comparison with other treatments shows similarity in the general features but important differences in the details.

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Riassunto Si presenta una trattazione della radiazione transitoria. Essa è basata sui campi emessi nella regione asintotica dalle cariche di polarizzazione. Queste cariche sono estratte dalle forme esatte di campi che erano stati precedentemente derivati. Si verifica una distinzione chiara fra la radiazione nella direzione avanti e indietro. Questo neccesiterebbe una verifica sperimentale. Il confronto con altri trattamenti mostra una somiglianza nelle linee generali ma anche importanti differenze nei dettagli.

     

Diffraction integral for misaligned systems and interference effects of optical arrays

Summary In the present paper, a diffraction integral formula for a misaligned optical system is derived. The interference effects of opticalelement arrays are studied by means of such a formula. The possibility of eliminating interference fringes is discussed. The conclusion is that the interference fringes could be eliminated when the αβγδ condition for arrays is satisfied. The synthetical aberration is simultaneously eliminated. However, in this case, the synthetical image coincides with the individual images. For some special application, the synthetical image does not coincide with the individual images and the αβγδ condition is not fulfilled. But the interference fringes may disappear in some special cases.

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Riassunto La formula di Collins, che esprime il cammino ottico fra un punto del piano oggetto e un punto del piano immagine nel caso di un sistema ottico centrato, è generalizzata al caso di un sistema ottico disallineato. La formula cosí ottenuta è applicata allo studio del fenomeno d’interferenza che ha luogo nel piano della cosiddetta ?immagine sintetica? fra i vari fasci emergenti da una cortina di elementi ottici. Si discutono infine le condizioni in cui non si hanno frange d’interferenza sull’immagine sintetica.

     

The deconfining phase transition in lattice quantum chromodynamics

We present a large-scale Monte Carlo calculation of the deconfining phase transition temperature in lattice quantum chromodynamics without fermions. Using the Wilson action, the transition temperature as a function of the lattice couplingg is consistent with scaling behavior dictated by the perturbativeα function for 6/g²>6.15. Speaker at the conference; on leave from CRIP, Budapest.