Synthesis of TiO<Subscript>2</Subscript> Hybrid Molecular Imprinted Polymer for Ethofumesate Linked by Silane Coupling Agent

TiO₂ hybrid molecular imprinted polymer (MIP) for ethofumesate using methacrylic acid (MAA) as the functional monomer and silane coupling agent 3-(trimethoxysilyl) propylmethacrylate (KH570) as organic–inorganic connective bridge was synthesized via photo-excitation method. Hydrogen bond was proved to act between MAA and ethofumesate for pre- and post-polymerization binding properties as testified by UV spectrometric method. KH570 modified TiO₂ nanoparticles were prepared via sonochemical reaction, which can accelerate hydrolysis, increase collision chance for the reactive system and improve the dispersion of the nanoparticles. Scanning electron microscope (SEM), transmission electron microscope (TEM), binding and the adsorption kinetics experiments as well as thermogravimetric analysis (TGA) were employed for characterization. The results indicated that the hybrid MIP revealed a larger surface area and more ordered imprinting cavities with improved thermal stability compared to organic-only MIP. Furthermore, faster adsorption kinetics and enhancive adsorption capacity were achieved, which made it promising in chemical sensor applications.     

Sandia National Laboratories Validation Workshop: Structural dynamics application

This article specifies a virtual structural dynamic subsystem and some systems, as well as mathematical models that approximately simulate them. The purpose is to define a setting for model validations conceived by participants in the Sandia National Laboratories Validation Workshop. Some broad guidelines for the model validations are set, as well as a regulatory requirement to be satisfied by the target system. Participants are directed to present techniques for subsystem model validation, to analytically predict whether or not the regulatory requirement will be met, and to estimate the likelihood of accuracy of the prediction.     

Numerical analysis of two-dimensional steady-state and transient heat transfer in a parallel duct filled with pressurized He II

Analysis on steady-state and transient heat transfer on a flat plate at the middle of a parallel duct immersed in He II was performed for bath temperatures from 1.8 to 2.1 K at 101.3 kPa. Two-dimensional computer code named SUPER-2D developed by the authors based on the two-fluid model and the theory of mutual friction was used. Steady-state critical heat flux (CHF) and the time lag from the application of a step heat input to λ transition, that is called a lifetime, were obtained numerically for various step heat fluxes and for the channel gaps from 2 to 20 mm. Effect of the gap restriction on the CHF and the lifetime were clarified. The solutions were compared with the experimental data for the ducts with the same structures and the corresponding conditions. They agreed well with the experimental data. The heat transport mechanism in the parallel duct was clarified.     

Markov analysis of qualitative dynamics1

Common sense sometimes predicts events to be likely or unlikely rather than merely possible. We extend methods of qualitative reasoning to predict the relative likelihoods of possible qualitative behaviors by viewing the dynamics of a system as a Markov chain over its transition graph. This involves adding qualitative or quantitative estimates of transition probabilities to each of the transitions and applying the standard theory of Markov chains to distinguish persistent states from transient states and to calculate recurrence times, settling times, and probabilities for ending up in each state. Much of the analysis depends solely on qualitative estimates of transition probabilities, which follow directly from theoretical considerations and which lead to qualitative predictions about entire classes of systems. Quantitative estimates for specific systems are derived empirically and lead to qualitative and quantitative conclusions, most of which are insensitive to small perturbations in the estimated transition probabilities. The algorithms are straightforward and efficient.     

Numerical Study of a Modified Time-Stepping θ-Scheme for Incompressible Flow Simulations

In [Turek (1996). Int. J. Numer. Meth. Fluids 22, 987–1011], we had performed numerical comparisons for different time stepping schemes for the incompressible Navier–Stokes equations. In this paper, we present the numerical analysis in the context of the Navier–Stokes equations for a modified time-stepping θ-scheme which has been recently proposed by Glowinski [Glowinski (2003). In: Ciarlet, P. G., and Lions, J. L. (eds.), Handbook of Numerical Analysis, Vol. IX, North-Holland, Amsterdam, pp. 3–1176]. Like the well-known classical Fractional-Step-θ-scheme which had been introduced by Glowinski [Glowinski (1985). In Murman, E. M. and Abarbanel, S. S. (eds.), Progress and Supercomputing in Computational Fluid Dynamics, Birkh?user, Boston MA; Bristeau et al. (1987). Comput. Phys. Rep. 6, 73–187], too, and which is still one of the most popular time stepping schemes, with or without operator splitting techniques, this new scheme consists of 3 substeps with nonequidistant substepping to build one macro time step. However, in contrast to the Fractional-Step-θ-scheme, the second substep can be formulated as an extrapolation step for previously computed data only, and the two remaining substeps look like a Backward Euler step so that no expensive operator evaluations for the right hand side vector with older solutions, as for instance in the Crank–Nicolson scheme, have to be performed. This modified scheme is implicit, strongly A-stable and second order accurate, too, which promises some advantageous behavior, particularly in implicit CFD simulations for the nonstationary Navier–Stokes equations. Representative numerical results, based on the software package FEATFLOW [Turek (2000). FEATFLOW Finite element software for the incompressible Navier–Stokes equations: User Manual, Release 1.2, University of Dortmund] are obtained for typical flow problems with benchmark character which provide a fair rating of the solution schemes, particularly in long time simulations.Dedicated to David Gottlieb on the occasion of his 60th anniversary     

Self-Irradiation Cascade Simulations in Plutonium Metal: Model Behavior at High Energy

The Modified Embedded Atom Method model for Pu metal is revised so that it more accurately captures the behavior of the Ziegler-Biersack-Littmark model of ion-ion interactions. Two revision are tested with somewhat different stiffnesses in the 2-1000 eV range. The revised models show higher damage levels at 20 KeV than an earlier model, suggesting that the behavior of the models above 100 eV is dominating damage production, at least in the earlier stages of the cascade. Work was performed at Los Alamos National Laboratory under the auspices of the US Department of Energy, under contract DE-AC52-06NA25396.     

The Israeli-Palestinian peace process and its vicissitudes: Insights from attitude theory.

The vicissitudes of the Israeli-Palestinian peace process since 1967 are analyzed using attitudes and related concepts where relevant. The 1967 war returned the two peoples' zero-sum conflict around national identity to its origin as a conflict within the land both peoples claim. Gradually, new attitudes evolved regarding the necessity and possibility of negotiations toward a two-state solution based on mutual recognition, which became the building stones of the 1993 Oslo agreement. Lacking a commitment to a final outcome, the Oslo-based peace process was hampered by reserve options, which increased avoidance at the expense of approach tendencies as the parties moved toward a final agreement. The resulting breakdown of the process in 2000 produced clashing narratives, reflecting different anchors for judgment and classical mirror images. Public support for violence increased, even as public opinion continued to favor a negotiated two-state solution. Reviving the peace process requires mutual reassurance about the availability of a partner for negotiating a principled peace based on a historic compromise that meets the basic needs and validates the identities of both peoples. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Approach for Overcoming Numerical Inaccuracy Caused by Load Discontinuity

It was found that the discontinuity at the end of an impulse will lead to numerical inaccuracy as this discontinuity will result in an extra impulse and thus an extra displacement in the time history analysis. In addition, this extra impulse is proportional to the discontinuity value at the end of the impulse and the size of integration time step. To overcome this difficulty, an effective approach is proposed to reduce the extra impulse and hence the extra displacement. In fact, the novel approach proposed in this paper is to perform a single small time step immediately upon the termination of applied impulse, whereas other time steps can be conducted by using the step size determined from accuracy consideration in period. The feasibility of this approach is analytically explored. Further, analytical results are confirmed by numerical examples. Numerical studies also show that this approach can be applied to other step-by-step integration methods. It seems that to slightly complicate the programming of dynamic analysis codes is the only disadvantage of this approach.     

Local Exact Particle Tracing on Unstructured Grids

For analyzing and interpreting results of flow simulations, particle tracing is a well established visualization method. In addition, it is a preliminary step for more advanced techniques such as line integral convolution. For interactive exploration of large data sets, a very efficient and reliable particle tracing method is needed. For wind channel experiments or flight simulations, large unstructured computational grids have become common practice. Traditional approachs, based on numerical integration methods of ordinary differential equations however fail to deliver sufficiently accurate path calculation at the speed required for interactive use. In this paper we extend the local exact approach of Nielson and Jung in such a way that it can be used for interactive particle tracing in large data sets of steady flow simulation experiments. This will be achieved by sophisticated preprocessing using additional memory. For further visual enhancement of the streamline we construct an implicitly defined smooth Bézier curve that is used for ray tracing. This allows us to visualize additional scalar values of the simulation as attributes to the trajectory and enables the display of high‐quality smooth curves without creating any visualization geometry and providing a good impression of the spatial situation at the same time. ACM CSS: I.3.3 Computer Graphics—Line and curve generation; I .3.7 Computer Graphics—Raytracing; G.1.2 Numerical Analysis—Spline and piecewise polynomial approximation     

LF泡沫精炼渣脱硫动力学的实验研究

对CaO -Al2 O3 -SiO2 系泡沫精炼渣进行了实验室脱硫动力学研究 ,得到的硫传质系数为 1.45 9× 10 -5m s。还就泡沫精炼渣中发泡剂对其脱硫能力的影响进行了研究。