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Using a version of density-functional theory which combines Onsager approximation and fundamental-measure theory for spatially nonuniform phases, we have studied the phase diagram of freely rotating hard rectangles and hard discorectangles. We find profound differences in the phase behavior of these models, which can be attributed to their different packing properties. Interestingly, bimodal orientational distribution functions are found in the nematic phase of hard rectangles, which cause a certain degree of biaxial order, albeit metastable with respect to spatially ordered phases. This feature is absent in discorectangles, which always show unimodal behavior. This result may be relevant in the light of recent experimental results which have confirmed the existence of biaxial phases. We expect that some perturbation of the particle shapes (either a certain degree of polydispersity or even bimodal dispersity in the aspect ratios) may actually destabilize spatially ordered phases thereby stabilizing the biaxial phase. 相似文献
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An expression for the extreme values of mean-square amplitudes of vibrations in polyatomic molecules has been derived which permits estimation of the mean-square amplitude without solving the vibrational problem. This expression can be improved for the stretching and scissoring modes when the assignment of frequencies is known. In turn, the corresponding vibrational frequency may be estimated from the experimental value of the mean-square amplitude. The mean-square amplitudes of the butadiene-1,3 molecule are considered as an example. 相似文献
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A. Ríos A. Lynggaard-Jensen H. S. Jacobsen R. Whiteman H. Wacheux B. Karlberg A. B. Lindholm T. Stenstrøm H. Berridge A. Boenke 《Accreditation and quality assurance》1999,4(12):B512-B517
ETACS is the official acronym for the European project "European Testing and Assessment of Comparability of On-line Sensors/Analysers". This project has three main objectives to achieve the comparability of performance data for sensors and analysers in the environmental field. First, to develop a test protocol for validation and comparison of the performance of on-line sensors/analysers. The test protocol is intended to be generic, that is independent of the specific sensors/analysers and the specific parameters to be monitored. Second, the practical testing of this test protocol to assess its applicability and to develop the techniques used. Finally, to achieve widespread acceptance of the test protocol by producer/suppliers, users and relevant authorities to assist its early adoption as an agreed European standard. Laboratory tests for producing the test protocol have been carried out and completed to check the applicability of such a protocol. 相似文献