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101.
102.
Angela Altomare Carmelo Giacovazzo Anna Grazia Giuseppina Moliterni Rosanna Rizzi 《Journal of research of the National Institute of Standards and Technology》2004,109(1):125-132
The ab-initio crystal structure solution by powder diffraction data requires great efforts because of the collapse of the experimental information onto the one dimensional 2θ axis of the pattern. Different strategies will be described aiming at improving the process of extraction of the integrated intensities from the experimental pattern in order to make more straightforward the structure solution process by direct methods. Particular attention will be devoted to the EXPO program. Some of its performance will be analysed and results will be shown. 相似文献
103.
L. Pamela Cook Emeka Nwankwo Gilberto Schleiniger Bryan Wood 《Journal of Engineering Mathematics》2003,45(3-4):269-282
A general formulation for capillary flow of two miscible fluids – one a dilute plug of polymer fluid inserted into a fully developed Poiseuille flow of the other, a Newtonian stream – is examined for its long time behavior. Phenomenologically, the system evolves from an initial state, that of a plug within the boundaries of sharp, well defined fronts inside a Newtonian stream, to a more homogenized state in the very long time scale. This problem was addressed by G.I. Taylor but with regard to a system of two Newtonian fluids, leading to the well-known results commonly described as `Taylor axial dispersion'. In this paper, a general and systematic perturbation analysis is presented from which Taylor's result is recovered as a special case of a more general solution which applies to fluids incorporating elastic properties. In particular, the influence of viscoelasticity and (polymer) diffusivity on the observed pressure profile in the capillary conduit is examined. This effect is clearly separated out for small Peclet number flows using asymptotic and numerical analysis. The results identify the influence of fluid viscosity, elasticity, and diffusivity on the observed pressure profile and form the basis for the improved characterization of polymeric elasticity using capillaries – a finding that is of significant scientific and commercial interest. These results were obtained by the authors as a class of observations resulting from the perturbation analysis of forced-flow capillary devices in viscoelastic fluid property investigation. 相似文献
104.
Tiziana Margaria Bernhard Steffen 《International Journal on Software Tools for Technology Transfer (STTT)》2004,5(2-3):107-123
In this paper, our solution to the problem of modelling functionally complex communication systems at the application level, based on lightweight coordination, is extended to seamlessly capture system-level testing as well. This extension could be realized simply by self-application: the bulk of the work for integrating system-level testing into our development environment, the ABC, concerned domain modelling, which can be done using the ABC. Therefore, the extension of the ABC to cover system-level testing was merely an application development on the basis of the ABC, illustrated here in the domain of Computer Telephony Integration. Here the adoption of a coarse-grained approach to test design, which is central to the scalability of the overall testing environment, is the enabling aspect for system-level test automation. Together with our lightweight coordination approach this induces an understandable modelling paradigm of system-wide test cases that is adequate for the needs and requirements of industrial test engineers. In particular, it enables test engineers to graphically design complex test cases that, in addition, can even be automatically checked for their intended purposes via model checking. 相似文献
105.
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107.
This paper considers the application of the method of boundary penalty terms (SAT) to the numerical solution of the wave equation
on complex shapes with Dirichlet boundary conditions. A theory is developed, in a semi-discrete setting, that allows the use
of a Cartesian grid on complex geometries, yet maintains the order of accuracy with only a linear temporal error-bound. A
numerical example, involving the solution of Maxwell’s equations inside a 2-D circular wave-guide demonstrates the efficacy
of this method in comparison to others (e.g., the staggered Yee scheme)—we achieve a decrease of two orders of magnitude in the level of the L2-error. 相似文献
108.
The kinetics of the carbothermal reduction of clay under argon atmosphere has been investigated by the X-ray diffraction method. The clay-carbon (excess) mixture was formed into 2 cm diameter disks of different thicknesses. Experimental data evidences the significant effect of sample thickness on the reaction rate at 1400 °C. Decreasing thickness promotes mullite dissociation and formation of SiC and alumina powders. Mathematical modeling of the reaction system showed the gas diffusion in the Knudsen regime through the pellet to be the rate controlling step. Diffusivity of CO and reacted core tortuosity factor have been calculated. 相似文献
109.
A new sulfonated melamine–urea–formaldehyde (MUF) resin of relatively low melamine content, prepared according to a sequential formulation, has been shown to be highly effective when coupled with different natural vegetable tannins to produce leather with the same good characteristics of leather prepared with chrome salts. In particular, the antishrinkage effectiveness of the leather prepared according to the new approach is comparable to that obtained with chrome tanned leathers. The comparison of the traditional leather shrinkage temperatures test method with a new thermomechanical analysis (TMA) test method in tension yields thermograms presenting three major modulus of elasticity (MOE) peaks. These are closely connected to molecular level phenomena determining the shrinkage temperature of leather. The three determining parameters appear to be as follows: (1) The average value of the temperatures at which the three MOE peaks occur: the higher the value of this average, the lower is the shrinkage of leather. (2) The average of maximum MOE values of the TMA peaks: the higher this average is, the better is the leather in regard to antishrinkage effectiveness. This means the leather maximum MOE at each peak is a measure of the resistance to the contraction force induced by heat. (3) The relative intensity of the first TMA peak in relation to the second: the higher the value of the MOE for the first TMA peak is in relation to the second peak, the lower the leather shrinkage appears to be. However, it has not been possible to better define or quantify this latter effect. This new TMA test method in tension has also yielded a mathematical relationship correlating the thermogram peak temperatures and MOE averages with the traditional shrinkage temperature to a high degree of confidence. A previous TMA test method, in compression, has proven to yield more problematic and finally not very reliable results when one needs to apply it to a wide variety of different cases. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 88: 1889–1903, 2003 相似文献
110.
Gerald Andrews Emison 《Canadian Metallurgical Quarterly》2004,20(2):56-61
Today’s engineering managers who use total quality management (TQM) face the challenge of moving it from adoption to seamless incorporation into their organizations. Both the application and the theory of TQM can be advanced through an examination of the philosophy of pragmatism and the sciences of adaptation. Pragmatism provides a philosophy that establishes a theory for incorporating TQM into engineers’ management practice; it derives its epistemology from actual experience. In essence, pragmatism suggests that practical experience, such as that gained from the continuous improvement of and experimentation with TQM, provides the basis for successful organizational performance. The sciences of adaptation identify the characteristics of organizations that promote successful adaptation. They suggest that incremental adjustments to ongoing change are the keys to effective and successful growth. This paper explores both philosophy and science to identify actions and attitudes that can enable the success of TQM in an organization. 相似文献