The analysis of impedance spectra for core–shell microstructures : why a multiformalism approach is essential

The impedance response of a core–shell microstructure with 80% core volume fraction has been simulated using finite‐element modeling and compared to two equivalent circuits for a wide range of shell permittivity and conductivity values. Different equivalent circuits, corresponding to different variants of the well‐known brick layer model, are applicable for different combinations of material properties in the microstructure. When the shell has a similar conductivity or permittivity to the core, adding a parallel pathway increases the accuracy of the fit by ≈±10%. When both the conductivity and permittivity values of the core and shell regions are different the series circuit is a better fit. This is confirmed by multiformalism impedance analysis, which reveals features in the data that are not apparent using a single formalism. Finally, the conductivity and permittivity values for both the shell and core are extracted from the simulated spectra using all formalisms and compared to the original input values. The accuracy of the extracted values often depends on the impedance formalism used. It is concluded that impedance spectroscopy data must be analyzed using multiple formalisms when considering core–shell microstructures

Electric field enhancement in ceramic capacitors due to interface amplitude roughness

The electrical behaviour of the interface between the ceramic and electrode layers in multi layer ceramic capacitors has been studied using finite element modelling. Interface models were produced with varying amplitudes of roughness based upon analysis of micrographs both captured in-house and from the literature. The impedance responses, direct current electric field and current density distributions of the different interfaces were compared. Increasing the root-mean-squared amplitude roughness from 0 to 0.16 μm increased the maximum field strength by over a factor of four. The electric field distribution showed that fluctuations in the increase of field strength were due to local interface morphology. Sharp intrusions of the electrode into the ceramic layer resulted in particularly large field enhancements and should be avoided to reduce the likelihood of device breakdown

A jump-growth model for predator-prey dynamics: derivation and application to marine ecosystems

This paper investigates the dynamics of biomass in a marine ecosystem. A stochastic process is defined in which organisms undergo jumps in body size as they catch and eat smaller organisms. Using a systematic expansion of the master equation, we derive a deterministic equation for the macroscopic dynamics, which we call the deterministic jump-growth equation, and a linear Fokker-Planck equation for the stochastic fluctuations. The McKendrick--von Foerster equation, used in previous studies, is shown to be a first-order approximation, appropriate in equilibrium systems where predators are much larger than their prey. The model has a power-law steady state consistent with the approximate constancy of mass density in logarithmic intervals of body mass often observed in marine ecosystems. The behaviours of the stochastic process, the deterministic jump-growth equation and the McKendrick--von Foerster equation are compared using numerical methods. The numerical analysis shows two classes of attractors: steady states and travelling waves.Comment: 27 pages, 4 figures. Final version as published. Only minor change

Recurrent mutations in the U2AF1 splicing factor in myelodysplastic syndromes

Myelodysplastic syndromes (MDS) are hematopoietic stem cell disorders that often progress to chemotherapy-resistant secondary acute myeloid leukemia (sAML). We used whole-genome sequencing to perform an unbiased comprehensive screen to discover the somatic mutations in a sample from an individual with sAML and genotyped the loci containing these mutations in the matched MDS sample. Here we show that a missense mutation affecting the serine at codon 34 (Ser34) in U2AF1 was recurrently present in 13 out of 150 (8.7%) subjects with de novo MDS, and we found suggestive evidence of an increased risk of progression to sAML associated with this mutation. U2AF1 is a U2 auxiliary factor protein that recognizes the AG splice acceptor dinucleotide at the 3' end of introns, and the alterations in U2AF1 are located in highly conserved zinc fingers of this protein. Mutant U2AF1 promotes enhanced splicing and exon skipping in reporter assays in vitro. This previously unidentified, recurrent mutation in U2AF1 implicates altered pre-mRNA splicing as a potential mechanism for MDS pathogenesis

A general framework for combining ecosystem models

When making predictions about ecosystems, we often have available a number of different ecosystem models that attempt to represent their dynamics in a detailed mechanistic way. Each of these can be used as a simulator of large-scale experiments and make projections about the fate of ecosystems under different scenarios to support the development of appropriate management strategies. However, structural differences, systematic discrepancies and uncertainties lead to different models giving different predictions. This is further complicated by the fact that the models may not be run with the same functional groups, spatial structure or time scale. Rather than simply trying to select a “best” model, or taking some weighted average, it is important to exploit the strengths of each of the models, while learning from the differences between them. To achieve this, we construct a flexible statistical model of the relationships between a collection of mechanistic models and their biases, allowing for structural and parameter uncertainty and for different ways of representing reality. Using this statistical meta-model, we can combine prior beliefs, model estimates and direct observations using Bayesian methods and make coherent predictions of future outcomes under different scenarios with robust measures of uncertainty. In this study, we take a diverse ensemble of existing North Sea ecosystem models and demonstrate the utility of our framework by applying it to answer the question what would have happened to demersal fish if fishing was to stop

How to extract reliable core-volume fractions from core-shell polycrystalline microstructures using cross sectional TEM micrographs

A reliable method of extracting core-volume fraction from TEM micrographs of core-shell polycrystalline microstructures is presented. Three commonly used averaging methods based on a simple spherical model are shown to consistently underestimate the core-volume fraction due to the interpretation of a 3D structure from a 2D slice. The same trend is also revealed using Voronoi tessellated structures to mimic polycrystalline ceramics. In some cases the underestimate is less than half the true core-volume fraction. We show that using a new maximum core-volume fraction methodology can improve the extracted value to a consistent error of less than 5%. This approach uses a value taken from the largest core-volume fraction measured from 10 grains that exhibit a core-shell microstructure. This provides increasing accuracy and improvements in the confidence of the measurement when extracting core-volume fractions of polycrystalline ceramics from 2D TEM micrographs

Infinite Exchangeability for Sets of Desirable Gambles

Sets of desirable gambles constitute a quite general type of uncertainty model with an interesting geometrical interpretation. We study infinite exchangeability assessments for them, and give a counterpart of de Finetti's infinite representation theorem. We show how the infinite representation in terms of frequency vectors is tied up with multivariate Bernstein (basis) polynomials. We also lay bare the relationships between the representations of updated exchangeable models, and discuss conservative inference (natural extension) under exchangeability

Adsorption of mono- and multivalent cat- and anions on DNA molecules

Adsorption of monovalent and multivalent cat- and anions on a deoxyribose nucleic acid (DNA) molecule from a salt solution is investigated by computer simulation. The ions are modelled as charged hard spheres, the DNA molecule as a point charge pattern following the double-helical phosphate strands. The geometrical shape of the DNA molecules is modelled on different levels ranging from a simple cylindrical shape to structured models which include the major and minor grooves between the phosphate strands. The densities of the ions adsorbed on the phosphate strands, in the major and in the minor grooves are calculated. First, we find that the adsorption pattern on the DNA surface depends strongly on its geometrical shape: counterions adsorb preferentially along the phosphate strands for a cylindrical model shape, but in the minor groove for a geometrically structured model. Second, we find that an addition of monovalent salt ions results in an increase of the charge density in the minor groove while the total charge density of ions adsorbed in the major groove stays unchanged. The adsorbed ion densities are highly structured along the minor groove while they are almost smeared along the major groove. Furthermore, for a fixed amount of added salt, the major groove cationic charge is independent on the counterion valency. For increasing salt concentration the major groove is neutralized while the total charge adsorbed in the minor groove is constant. DNA overcharging is detected for multivalent salt. Simulations for a larger ion radii, which mimic the effect of the ion hydration, indicate an increased adsorbtion of cations in the major groove.Comment: 34 pages with 14 figure

Fractal Nanotechnology

Self-similar patterns are frequently observed in Nature. Their reproduction is possible on a length scale 102–105 nm with lithographic methods, but seems impossible on the nanometer length scale. It is shown that this goal may be achieved via a multiplicative variant of the multi-spacer patterning technology, in this way permitting the controlled preparation of fractal surfaces