On mechanical characteristics of nanocrystals

The dependence of the elastic moduli of a nanocrystal on its size is investigated theoretically with reference to a two-dimensional single-crystal strip. It is shown that the uncertainty (of a fundamental nature) in the size of a nanocrystal causes the determination of many of its mechanical characteristics to be ambiguous. It is found that the Cauchy-Green relations are modified and the elastic-constant tensor ceases to be symmetric; the size and shape of a nanocrystal render its mechanical properties more anisotropic. For a single-crystal strip, the Poisson ratio decreases and the Young modulus increases with decreasing thickness of the strip; in the case of a very thin crystal film (two atomic layers thick), these elastic moduli can differ from their macroscopic values by a factor of two. The size effects which make the continuum elasticity theory inapplicable to nanocrystals are estimated. The size effects that occur when the molecular dynamics method is applied for modeling macroscopic objects are also discussed.     

Forward-angle yields of 2≤Z≤11 isotopes in the reaction of 18O(35A MeV) with 9Be

A systematic investigation of the forward-angle inclusive yields of 2≤Z≤11 isotopes produced in collisions of ¹⁸O projectile nuclei with a ⁹Be target in the Fermi energy region (35A MeV) is performed. The measurements were based on the use of the COMBAS double achromatic kinematical separator in the spectrometry mode at the Flerov Laboratory of Nuclear Reactions at the Joint Institute for Nuclear Research, FLNR (JINR, Dubna). The velocity, isotopic, and element distributions are presented. There is no unique mechanism that would explain the total set of results obtained in this experiment. A dominant role of low-energy reaction mechanisms is observed. The intensity of secondary beams of halolike nuclei ¹¹Li, ¹²Be, and ¹⁴Be is determined.     

Color Gauge Invariance in Hard Processes

Within the theoretical framework which we apply, a suggested origin for single-spin asymmetries is the presence of gauge links in transverse momentum-dependent distribution functions. Recently we found new gauge-link structures in a number of hard processes. These structures need to be considered in the evolution of parton distribution functions and for establishing factorization.     

Quantitative Bestimmungen mittels cyclischer Voltammetrie an der Phasengrenze zweier mischbarer Elektrolytl?sungen

Summary This paper presents some applications of cyclic voltammetry at the interface of two immiscible electrolyte solutions by means of an experimental set-up described in a former publication. When using special sample preparation good results are obtained for the determination of iodide and quinine in pharmaceutical products as well as for the determination of quinine in tonic water and dodecylsulfate in a tooth-salt.

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Herrn Prof. Dr. Günther Tölg zum 60. Geburtstag gewidmet     

On the onset of separation in turbulent boundary layer flow over two-dimensional humps of various size

Summary The available laboratory data of turbulent boundary layer flow over two-dimensional obstacles have been examined in order to identify the parameters (such as the aspect ratio or the surface roughness) driving the onset of separation. A comparison with some linearized models suitable for atmospheric applications is also made. It results that i) the model response can be highly sensitive to the detailed shape of the obstacle; ii) the ratio between obstacle length and boundary layer thickness is relevant in determining the pressure perturbation near the surface; iii) the surface shear stress is poorly described in most cases and in particular in the obstacle wake.

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Riassunto I dati di laboratorio disponibili, relativi a strati limite turbolenti su ostacoli bidimensionali, sono stati esaminati al fine di identificare i parametri guida della separazione (quali la pendenza o la rugosità della superficie). Inoltre è stato fatto un confronto con i risultati di alcuni modelli linearizzati adatti per applicazioni atmosferiche. Ne risulta che i) la risposta del modello è molto sensibile alla forma dettagliata dell’ostacolo; ii) il rapporto fra la lunghezza dell’ostacolo e lo spessore dello strato limite turbolento incidente è importante nel determinare la perturbazione della pressione vicino alla superficie; iii) lo ?shear stress? superficiale non è riprodotto con accuratezza nella maggioranza dei casi, in particolare nella scia dell’ostacolo.

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Резюме Анализируются имеющиеся лабораторные данные по турбулентному течению в пограничном слое над двумерными препятствиями, чтобы идентифицировать параметры (такие как аспектное отношение или шероховатость поверхности), определяющие возникновение отрыва. Проводится сравнение с некоторыми линеаризованными моделями, удобными для атмосферных приложений. Получены следующие результаты: 1) модельный отклик может быть очень чувствительным к детальной форме препятствия; 2) отношение между длиной препятствия и толщиной поверхностного слоя является существенным при определении возмущения давления вблизи поверхности; 3) напряжение поверхностного сдвига плохо описывается в большинстве случаев и, в частности, в спутной струе.

     

An investigation on planar dielectric light collectors for illumination and solar energy applications

In this paper the performances of inhomogeneous dielectric slabs as solar light collectors for both illumination and solar energy applications are analysed.     

Calculation of diatomic molecules with the lctoc method. Excited states of some homonuclear molecules and ions

Calculations are performed, using a basis of two-center functions described previously, for excited states of the following three-and four-electron compounds: H₂ ^–, He₂ ⁺, He₂, Li₂ ⁺². High efficiency is demonstrated for the frozen ionic core approximation and the nonorthogonal orbital method in such calculations. For four-electron systems the practical feasibility of the frozen hybrid core approximation is demonstrated.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 53–56, August, 1987.     

Search for a reliable methodology for PSD determination based on a combined molecular simulation-regularization-experimental approach: The case of PHTS materials

We present here a methodology for searching a robust pore size distribution (PSD) for adsorbent materials. The method is based on a combination of individual adsorption isotherms, obtained from Grand Canonical Monte Carlo simulations, a regularization procedure to invert the adsorption integral equation (Tikhonov regularization solved by singular value decomposition), and the needed experimental adsorption isotherm. The selection of several parameters from the available choices to start the procedure are discussed here: the size of the kernel (number of individual pores and number of experimental adsorption points to be included), the fulfillment of the Discrete Picard condition, and the L-curve criteria, all leading to find a reliable and robust PSD. The procedure is applied to plugged hexagonal templated silicas (PHTS), synthesized, and characterized in our laboratory.