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31.
Bubble pressure points of ethanol–1,1,1,2,3,3,3-heptafluoropropane (HFC-227ea refrigerant) mixtures from the third Industrial Fluid Properties Simulation Challenge are computed using publicly available molecular simulation software. Several published force fields are compared against the known answers provided in the contest guidelines and the best force fields are used to make predictions for the unknown results. 相似文献
32.
This paper presents a new generic Evolutionary Algorithm (EA) for retarding the unwanted effects of premature convergence. This is accomplished by a combination of interacting generic methods. These generalizations of a Genetic Algorithm (GA) are inspired by population genetics and take advantage of the interactions between genetic drift and migration. In this regard a new selection scheme is introduced, which is designed to directedly control genetic drift within the population by advantageous self-adaptive selection pressure steering. Additionally this new selection model enables a quite intuitive heuristics to detect premature convergence. Based upon this newly postulated basic principle the new selection mechanism is combined with the already proposed Segregative Genetic Algorithm (SEGA), an advanced Genetic Algorithm (GA) that introduces parallelism mainly to improve global solution quality. As a whole, a new generic evolutionary algorithm (SASEGASA) is introduced. The performance of the algorithm is evaluated on a set of characteristic benchmark problems. Computational results show that the new method is capable of producing highest quality solutions without any problem-specific additions. 相似文献
33.
Munish Kumar 《Journal of Physics and Chemistry of Solids》2004,65(6):1177-1180
A critical analysis of the Suzuki, Shanker, and Kumar formulations is presented by studying different classes of materials under high pressure. A similar trend for all the materials studied in the present work, demonstrates that Suzuki formulation is not capable to yield compression behaviour of solids. The Shanker formulation improves the results obtained by the Suzuki formulation in small compression range (0.9<V/V0<1). For further compressions Shanker formulation also fails. On the other hand, the Kumar formulation is found to work well for the entire range of pressure. The reasons for the failure of Suzuki and Shanker formulations are discussed. 相似文献
34.
Makoto Sakata Takafumi Itsubo Yutakata Moritomo Yasuo Ohishi 《Journal of Physics and Chemistry of Solids》2004,65(12):1973-1976
The experimental and analytical method of the high-pressure powder experiment at BL10XU, SPring-8, is described. There is no doubt that BL10XU must be one of the most appropriate beam lines for high pressure X-ray diffraction experiment taking advantage of third generation synchrotron source. As an example of the advanced charge density study under high pressure, the structural change of Cs2Au2Br6 by applying pressure is studied by Rietveld/MEM analysis. It reveals that the structural change of Cs2Au2Br6 by applying pressure occurs basically at electron level, such as valence state change and chemical bonding, which may be called the electronic phase transition. 相似文献
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In the present paper, a new two-parameter inverted equation of state (EOS) is developed which is found to be working very
well in the high-pressure region. To check its success and validity, this EOS has been applied in a number of solids. The
computed volume compression is found to be in very good agreement with the experimental data in the whole range of pressure
in all the solids. The minimum and the maximum pressure range used in the present study is 0–320 kbar and 0–3000 kbar, respectively. 相似文献
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Belting, a vocal technique typically cultivated in musical theatre singing, differs timbrally from operatic singing in many interesting respects. The underlying phonatory differences have not been previously investigated in detail. Yet, belting is frequently associated with disturbances of voice function. Articulatory and phonatory characteristics are investigated in a female subject who is a professional singer (co-author JL) trained in both the operatic and belting styles and in an intermediate vocal technique (“mixed”). This article presents data obtained from this subject by video-fiberoptic observation of the pharynx, inverse filtering of airflow, and measurement of subglottal pressure. The results reveal that belting was characterized by very high subglottal pressures and sound levels, and apparently also by a comparatively high degree of glottal adduction. Comparisons with other investigations of related aspects of belting and operatic singing support the assumption that the data obtained from our subject are representative for these vocal techniques. 相似文献