Water structure, dynamics and ion adsorption at the aqueous {010} brushite surface

Understanding the growth processes of calcium phosphate minerals in aqueous environments has implications for both health and geology. Brushite, in particular, is a component of certain kidney stones and is used as a bone implant coating. Understanding the water–brushite interface at the molecular scale will help inform the control of its growth. Liquid-ordering and the rates of water exchange at the brushite–solution interface have been examined through the use of molecular dynamics simulation and the results compared to surface X-ray diffraction data. This comparison highlights discrepancies between the two sets of results, regardless of whether force field or first principles methods are used in the simulations, or the extent of water coverage. In order to probe other possible reasons for this difference, the free energies for the adsorption of several ions on brushite were computed. Given the exothermic nature found in some cases, it is possible that the discrepancy in the surface electron density may be caused by adsorption of excess ions

Proton irradiation induced GaAs solar cell performance degradation simulations using a physics-based model

In this study a recently developed physics-based model to describe the performance degradation of GaAs solar cells upon electron irradiation is applied to analyze the effects of proton irradiation. For this purpose GaAs solar cells with significantly different architectures are subjected to a range of proton irradiation fluences up to 5×1012 H+/cm2. The resulting J−V and EQE characteristics of the cells are measured and compared with the simulations from the model. The model requires individual degradation constants for the SRH lifetimes and the surface recombination velocities as an input. In this study these constants were obtained from the recently determined associated constants for electron irradiation using the particles non-ionizing energy loss (NIEL) values for conversion. The good fit between the simulated and experimentally obtained results demonstrate that this is a valid approach. Moreover, it suggests that the physics based model allows for a good prediction of GaAs cell performance under particle irradiation of any kind independent of the particular cell architecture as long as the layer thicknesses and doping levels are known. In addition the applied proton irradiation levels in this study were not found to induce additional Cu-related degradation in the investigated thin-film cells, indicating that the use of copper foil as a convenient carrier and rear contact does not require reconsideration for thin-film cells intended for space applications

Limiting mechanisms for photon recycling in thin-film GaAs solar cells

Photon recycling mechanisms in single junction thin-film GaAs solar cells are evaluated in this study. Modelling supported by experimentally obtained results is used in order to correlate the reflectance of the cell's rear layers, the photon recycling probability, and the solar cell performance. Solar cells with different top and bottom metallization configurations are produced, and their performance is analyzed from the optical and electrical point of view. It is shown that the photon recycling probability increases with the rear mirror reflectance and solar cell thickness, which results in the increase of the devices open circuit voltage. However, the front grid coverage, usually disregarded in rear mirror focused studies, strongly reduces the photon recycling probability. Furthermore, perimeter and interface recombination hinder the internal radiative efficiency of the solar cells, preventing further increase of the devices' open circuit voltage as a result of improvements of the rear mirror reflectivity. In order to exploit the significant benefit of increased photon recycling probability to the solar cell performance, these limiting mechanisms need to be properly addressed

Crystal structure prediction of organic pigments: quinacridone as an example

The structures of the α, β and γ polymorphs of quinacridone were predicted using Polymorph Predictor software in combination with X-ray powder diffraction patterns of limited quality. The present work demonstrates a method to obtain crystal structures of industrially important pigments when only a low-quality powder pattern is available

Increased Performance of Thin-film GaAs Solar Cells with Improved Rear Interface Reflectivity

The highest efficiencies in single-junction solar cells are obtained with devices based on GaAs. As this material is reaching the limit in material quality, the optimization of the design of the cell becomes more important. In this study we implement a patterning technique to the bottom contact layer of thin-film GaAs solar cells that increases the reflectance of photons to the active layers. Both shallow junction and deep junction devices were evaluated, and for deep junction cells, both the short circuit current and the open circuit voltage increase with the reflectance. The radiative saturation current density also decreases, indicating increased photon recycling. Detailed model simulations are performed to further evaluate the mechanisms leading to the improved performance of the deep junction design. Based on the same model, the possibilities for further improvements utilizing the deep junction are also identified

Infrared Excess in the Be Star Delta Scorpii

We present infrared photometric observations of the Be binary system delta Scorpii obtained in 2006. The J,H and K magnitudes are the same within the errors compared to observations taken 10 months earlier. We derive the infrared excess from the observation and compare this to the color excess predicted by a radiative equilibrium model of the primary star and its circumstellar disk. We use a non-LTE computational code to model the gaseous envelope concentrated in the star's equatorial plane and calculate the expected spectral energy distribution and Halpha emission profile of the star with its circumstellar disk. Using the observed infrared excess of delta Sco, as well as Halpha spectroscopy bracketing the IR observations in time, we place constraints on the radial density distribution in the circumstellar disk. Because the disk exhibits variability in its density distribution, this work will be helpful in understanding its dynamics.Comment: 12 pages, 14 figures, to be published in PASP May 200

Phase transitions in two dimensions - the case of Sn adsorbed on Ge(111) surfaces

Accurate atomic coordinates of the room-temperature (root3xroot3)R30degree and low-temperature (3x3) phases of 1/3 ML Sn on Ge(111) have been established by grazing-incidence x-ray diffraction with synchrotron radiation. The Sn atoms are located solely at T4-sites in the (root3xroot3)R30degree structure. In the low temperature phase one of the three Sn atoms per (3x3) unit cell is displaced outwards by 0.26 +/- 0.04 A relative to the other two. This displacement is accompanied by an increase in the first to second double-layer spacing in the Ge substrate.Comment: RevTeX, 5 pages including 2 figure

Modeling Vesicle Traffic Reveals Unexpected Consequences for Cdc42p-Mediated Polarity Establishment

SummaryBackgroundPolarization in yeast has been proposed to involve a positive feedback loop whereby the polarity regulator Cdc42p orients actin cables, which deliver vesicles carrying Cdc42p to the polarization site. Previous mathematical models treating Cdc42p traffic as a membrane-free flux suggested that directed traffic would polarize Cdc42p, but it remained unclear whether Cdc42p would become polarized without the membrane-free simplifying assumption.ResultsWe present mathematical models that explicitly consider stochastic vesicle traffic via exocytosis and endocytosis, providing several new insights. Our findings suggest that endocytic cargo influences the timing of vesicle internalization in yeast. Moreover, our models provide quantitative support for the view that integral membrane cargo proteins would become polarized by directed vesicle traffic given the experimentally determined rates of vesicle traffic and diffusion. However, such traffic cannot effectively polarize the more rapidly diffusing Cdc42p in the model without making additional assumptions that seem implausible and lack experimental support.ConclusionsOur findings suggest that actin-directed vesicle traffic would perturb, rather than reinforce, polarization in yeast