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951.
We study a rechargeable lithium-ion battery that uses a many-particle FePO4 electrode to reversibly store lithium atoms. This process is accompanied by a phase transition and charging/discharging run along different paths, so that hysteretic behavior is observed.Although there are experimental studies suggesting that the overall behavior of the battery is a many-particle effect, most authors exclusively describe the phase transition within a single particle model of the electrode.In this work, we study in detail a many-particle model for the electrode. The model is capable to describe a kind of phase transition where each individual particle of the electrode is homogeneous. It will be shown that the particles are either in the first phase or in the second phase. This phenomenon is due to the non-monotone relation between the chemical potential and the lithium mole fraction of a single particle.The pressure-radius relation of a spherical elastic rubber balloon also exhibits non-monotone behavior. In fact, a system of many interconnected balloons behaves correspondingly to an electrode consisting of many storage particles. The analogy between the two systems is important, because the predictions of the many-particle model can easily be tested with rubber balloons of macroscopic size than with an ensemble of microscopically small (FePO4) particles. 相似文献
952.
Christian Niedrig Simon TaufallMónica Burriel Wolfgang MenesklouStefan F. Wagner Stefan Baumann 《Solid State Ionics》2011,197(1):25-31
Ba0.5Sr0.5Co0.8Fe0.2O3 - δ (BSCF) is a material with excellent oxygen ionic and electronic transport properties reported by many research groups. In its cubic phase, this mixed ionic-electronic conducting (MIEC) perovskite is a promising candidate for oxygen permeation membranes. For this application, its long-term stability under operating conditions (especially temperature and oxygen partial pressure) is of crucial importance.The present work is focused on the thermal stability of the BSCF cubic phase in the targeted temperature range for applications (700…900 °C) in light of previous studies in literature reporting a reversible transition to a hexagonal phase somewhere below 900 °C.To this end, single phase cubic BSCF powders were annealed at different temperatures over varying periods of time. Phase composition was subsequently analysed by X-ray diffractometry (XRD) in order to determine both the temperature limit and the time-scale for the formation of the hexagonal phase. Additionally, the long-term behaviour of the electrical conductivity was examined on bulk samples at 700 °C, 800 °C and 900 °C over several hundreds of hours, showing a prolonged decrease at 800 °C. The decrease in electrical conductivity at this temperature was also examined on bulk samples with different grain sizes, showing a more pronounced decrease the smaller the average grain size.Coexistence of both phases (cubic and hexagonal) could also be shown for 700 °C, however with a different phase equilibrium than at 800 °C. 相似文献
953.
In the context of finite-element simulations of porous media, computing time and numerical effort is an important issue because the number of degrees of freedom of such coupled problems can become very large. Following this, model reduction plays an important role. A broad variety of materials exhibit a porous microstructure. In order to evaluate the overall response of these materials, a macroscopic continuum-mechanical modelling approach is used. Therefore, the complex inner structure of porous media is regarded in a multi-phasic and multi-component manner by means of the well-founded Theory of Porous Media (TPM). The mechanical behaviour of porous media is solved using the Finite-Element Method (FEM). The basic idea of model reduction is to transform a high dimensional system, in terms of the system's degrees of freedom, to a low dimensional subspace to minimise the computational effort while maintaining the accuracy of the solution. The method of proper orthogonal decomposition (POD) can be seen as a method to approximate a given data set with a low dimensional subspace. Furthermore, the POD method is independent of the type of the model and can be used for nonlinear systems as well as for systems of second order. In several applications, such as consolidation problems of partially saturated soils, commonly occurring motion sequences can be found, which can be used as typical “snapshots” of the system. Therefore, the application of the POD method to the simulation of porous media is discussed in the present contribution. Investigated computations of a biphasic standard problem show that the POD method reduces the numerical effort to solve the linearised system of equations in each iteration step. (© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
954.
955.
Dr. Matthias C. Witschel Dr. H. Wolfgang Höffken Michael Seet Dr. Liliana Parra Thomas Mietzner Frank Thater Dr. Ricarda Niggeweg Dr. Franz Röhl Dr. Boris Illarionov Dr. Felix Rohdich Dr. Johannes Kaiser Prof. Dr. Markus Fischer Prof. Dr. Adelbert Bacher Prof. Dr. François Diederich 《Angewandte Chemie (International ed. in English)》2011,50(34):7931-7935
956.
We consider the problem of finding the spectrum of an n × n matrix which arises in the study of a certain model of long-range interactions in a one-dimensional statistical mechanics
system. Our analysis exhibits a curious resemblance of the suitably normalized distribution of eigenvalues to the Marčenko–Pastur
law in the limit n → ∞. 相似文献
957.
Fundamental and practical aspects in the design of nanoscaled SnO2 gas sensors: a status report 总被引:2,自引:0,他引:2
N. Barsan Markus Schweizer-Berberich Wolfgang G?pel 《Fresenius' Journal of Analytical Chemistry》1999,365(4):287-304
Gas sensors based on semiconducting materials have become of great interest to both sensor users and researchers. In this
context, a huge number of publications have appeared in the literature which deal with metal oxide gas sensors, in general,
and with the prototype material SnO2, in particular. The amount of data published grows continuously and has led to a situation in which even experts in this
field tend to lose an overview. The present review describes the reasons for this complexity and outlines unifying concepts
to understand the huge amount of published, mostly empirical data. This leads to a comprehension of gas-sensing phenomena
in both the application and research domains.
Received: 7 December 1998 / Revised: 6 May 1999 / Accepted: 19 May 1999 相似文献
958.
959.
960.
Wolfgang Bermel Dr. Ivano Bertini Prof. Isabella C. Felli Prof. Riccardo Peruzzini Roberta Pierattelli Prof. 《Chemphyschem》2010,11(3):689-695
Provided that 13C‐detected NMR experiments are either preferable or complementary to 1H detection, we report here tools to determine Cα? C′, C′? N, and Cα? Hα residual dipolar couplings on the basis of the CON experiment. The coupling constants determined on ubiquitin are consistent with the subset measured with the 1H‐detected HNCO sequences. Since the utilization of residual dipolar couplings may depend on the mobility of the involved nuclei, we also provide tools to measure longitudinal and transverse relaxation rates of N and C′. This new set of experiments is a further development of a whole strategy based on 13C direct‐detection NMR spectroscopy for the study of biological macromolecules. 相似文献