Lagrangian finite element method for the analysis of two-dimensional sloshing problems

A new version of a numerical algorithm for the Lagrangian treatment of incompressible fluid flows with free surfaces is developed. The novel features of the present method are the adoptions of the Lagrangian finite element method and the velocity correction technique. The use of the velocity correction approach makes the computational scheme extremely simple in algorithmic structure. Hence, the present method is particularly attractive for large-scale problems. The techniques discussed here are applied to some two-dimensional sloshing problems, which may indicate the versatility and effectiveness of the present method.     

Comments on "An Efficient SS/TDMA Time Slot Assignment Algorithm"

The time slot assignment algorithm presented in the above paper needs certain improvements for it to be an efficient one. In this correspondence, the necessary improvements are incorporated and an improved SS/TDMA time slot assignment algorithm is presented. The new algorithm is compared to the old one and the computer simulation exhibits a better performance of the present algorithm.     

Rapid hydrocarbon type separation of vacuum residues

Summary A simple and fast column chromatographic procedure for the separation of vacuum residues into saturates, mono-, di-, polyaromatics and polars has been standardized using silica-alumina-bauxite adsorbents and gradient elution with n-pentane, benzene, and methanol. The cut points have been monitored employing ultraviolet and infrared spectroscopy. The method is applicable for preparative separation of short residues from processed products.

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Rasche Trennung der Kohlenwasserstofftypen von Vakuum-RückstÄnden

     

Resonances and chaos in the collinear collision system (He,H 2 + ) and its isotopic variants

The collinear atom-diatom collision system provides one of the simplest instances of chaotic or irregular scattering. Classically, irregular scattering is manifest in the sensitive dependence of post-collision variables on initial conditions, and quantally, in the appearance of a dense spectrum of dynamical resonances. We examine the influence of kinematic factors on such dynamical resonances in collinear (He, H ₂ ⁺ ) collisions by computing the transition state spectra for collinear (He, HD⁺) and (He, DH⁺) collisions using the time-dependent quantum mechanical approach. The nearest neighbor spacing distributionP(s) and the spectral rigidity Δ₃(L) for these resonances suggest that the dynamics is predominantlyirregular for collinear (He, HD⁺) and predominantlyregular for collinear (He, DH⁺). These findings are reinforced by a significantly larger “correlation hole” in ensemble averaged survival probability ≪P(t)≫ values for collinear (He, HD⁺) than for collinear (He,DH⁺). In addition we have also examined measures of classical chaos through the dependence of the final vibrational action,n _f, on the initial vibrational phaseφ _i of the diatom, and Poincaré surfaces-of-section. They show that (He, HD⁺) collisions are partly chaotic over the entire energy range (0–2.78 eV) while (He, DH⁺) collisions, in contrast, are highly regular at collision energies below the classical threshold for reaction. Above the threshold, the scattering remains regular for initial vibrational statesv=0 and 1 of DH⁺.     

Mixed-mode crack-tip deformations studied using a modified flexural specimen and coherent gradient sensing

An optical mapping of deformation fields and evaluation of fracture parameters near mixed-mode cracks in homogeneous specimens under elastostatic conditions is undertaken. A modified edge notched flexural geometry is used in the study and its ability in providing a relatively wide range of mode mixities is demonstrated. A full-field, optical shearing interferometry called ‘coherent gradient sensing’ (CGS) is used in the study. Crack-tip parameters such as stress-intensity factors, mode mixity and energy-release rate are measured from the interference patterns. The patterns are analyzed using Williams' mixed-mode, asymptotic expansion field. An expression for energy-release rate for the specimen is also derived using beam theory. The theoretical stress-intensity factors are then obtained using a mode-partitioning method based on moment decomposition. Experimental measurements and theoretical predictions are found to be in good agreement. Limitations of the mode-partitioning method used in the investigation are also pointed out.     

Database diversity assessment: New ideas, concepts, and tools

We present some new ideas for characterizing and comparing largechemical databases. The comparison of the contents of large databases is nottrivial since it implies pairwise comparison of hundreds of thousands ofcompounds. We have developed methods for categorizing compounds into groupsor series based on their ring-system content, using precalculatedstructure-based hashcodes. Two large databases can then be compared bysimply comparing their hashcode tables. Furthermore, the number of distinctring-system combinations can be used as an indicator of database diversity.We also present an indepen- dent technique for diversity assessment calledthe saturation diversity approach. This method is based on picking as manymutually dissimilar compounds as possible from a database or a subsetthereof. We show that both methods yield similar results. Since the twomethods measure very different properties, this probably says more about theproperties of the databases studied than about the methods.