1,568 research outputs found

    Electronic and structural properties of vacancies on and below the GaP(110) surface

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    We have performed total-energy density-functional calculations using first-principles pseudopotentials to determine the atomic and electronic structure of neutral surface and subsurface vacancies at the GaP(110) surface. The cation as well as the anion surface vacancy show a pronounced inward relaxation of the three nearest neighbor atoms towards the vacancy while the surface point-group symmetry is maintained. For both types of vacancies we find a singly occupied level at mid gap. Subsurface vacancies below the second layer display essentially the same properties as bulk defects. Our results for vacancies in the second layer show features not observed for either surface or bulk vacancies: Large relaxations occur and both defects are unstable against the formation of antisite vacancy complexes. Simulating scanning tunneling microscope pictures of the different vacancies we find excellent agreement with experimental data for the surface vacancies and predict the signatures of subsurface vacancies.Comment: 10 pages, 6 figures, Submitted to Phys. Rev. B, Other related publications can be found at http://www.rz-berlin.mpg.de/th/paper.htm

    Numerical visualization and optimization on the core penetration in multi-cavity co-injection molding with a bifurcation runner structure

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    [[abstract]]Co-Injection Molding and multi-cavity molding are common processes for plastic products manufacturing. These two systems are sometimes combined and applied in the manufacture of bifurcation-structure products. In the previous literature results, the dynamic behavior of the core penetration in co-injection multi-cavity molding with a bifurcation structure is quite complicated and the behavior is sensitive to injection flow rates, different materials, and other process conditions. However, how these influential factors truly affect the core penetration behavior and the detailed mechanism of core penetration behavior has not yet been fully understood. In this study, we focused on studying the multi-cavity co-injection system with a bifurcation runner structure. The results showed that when the skin-to-core ratio is fixed (say 72/28), the melt flow behavior of a co-injection system, utilizing the same material for both skin and core, is very similar to that of a single shot injection molding. Specifically, the non-symmetrical bifurcation runner structure will influence the flow behavior greatly and cause the core distribution imbalance between different cavities. Due to the geometric nature of the bifurcation runner design, this core distribution imbalance problem will still persist even if we modify the melt temperature, mold temperature, or even change the plastic material. Furthermore, when the skin-to-core ratio is fixed (say 72/28), the changes of the flow rate have very little effect on the core penetration result in the final molded product; the final molded product will still have a core distribution imbalance issue. However, we observed that when the flow rate is increased, the core material will occupy more volume space in the upstream portion of the runner and the core penetration distance will be reduced in the flow direction downstream. This feature is very useful to further manipulate the skin-core interface in a multi-cavity system. Moreover, regarding how to improve a poor inter-cavity balance of core material distribution, using a suitable adjustment of the skin-to-core ratio will be greatly helpful. However, the core break-through defect can be a common problem in co-injection molding when an unsuitable skin-to-core ratio is used. To prevent the core break-through defect, increasing the flow rate properly can be one of the good options that we can use. Hence, we concluded that a suitable adjustment of the skin-to-core ratio and a proper flow rate control can be used to optimize the core material distribution in multi-cavity co-injection molding with a bifurcation runner structure. Lastly, in order to validate our inference and the effectiveness of our proposal to improve the inter-cavity imbalance and core break-through problem, a series of experimental studies were performed. And, all experimental results are in good agreement with those of our numerical predictions to further validate the feasibility of our proposed method to gain a better control of the core material distribution with a bifurcation runner structure in multi-cavity co-injection molding.[[notice]]補正完

    Scanning tunneling microscopy and spectroscopy at low temperatures of the (110) surface of Te doped GaAs single crystals

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    We have performed voltage dependent imaging and spatially resolved spectroscopy on the (110) surface of Te doped GaAs single crystals with a low temperature scanning tunneling microscope (STM). A large fraction of the observed defects are identified as Te dopant atoms which can be observed down to the fifth subsurface layer. For negative sample voltages, the dopant atoms are surrounded by Friedel charge density oscillations. Spatially resolved spectroscopy above the dopant atoms and above defect free areas of the GaAs (110) surface reveals the presence of conductance peaks inside the semiconductor band gap. The appearance of the peaks can be linked to charges residing on states which are localized within the tunnel junction area. We show that these localized states can be present on the doped GaAs surface as well as at the STM tip apex.Comment: 8 pages, 8 figures, accepted for publication in PR

    Acute kidney disease and renal recovery : consensus report of the Acute Disease Quality Initiative (ADQI) 16 Workgroup

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    Consensus definitions have been reached for both acute kidney injury (AKI) and chronic kidney disease (CKD) and these definitions are now routinely used in research and clinical practice. The KDIGO guideline defines AKI as an abrupt decrease in kidney function occurring over 7 days or less, whereas CKD is defined by the persistence of kidney disease for a period of > 90 days. AKI and CKD are increasingly recognized as related entities and in some instances probably represent a continuum of the disease process. For patients in whom pathophysiologic processes are ongoing, the term acute kidney disease (AKD) has been proposed to define the course of disease after AKI; however, definitions of AKD and strategies for the management of patients with AKD are not currently available. In this consensus statement, the Acute Disease Quality Initiative (ADQI) proposes definitions, staging criteria for AKD, and strategies for the management of affected patients. We also make recommendations for areas of future research, which aim to improve understanding of the underlying processes and improve outcomes for patients with AKD

    Search for lepton-number violating processes in B+ -> h- l+ l+ decays

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    We have searched for the lepton-number violating processes B+ -> h- l+ l+ with h- = K-/pi- and l+ = e+/mu+, using a sample of 471+/-3 million BBbar events collected with the BaBar detector at the PEP-II e+e- collider at the SLAC National Accelerator Laboratory. We find no evidence for these decays and place 90% confidence level upper limits on their branching fractions Br(B+ -> pi- e+ e+) K- e+ e+) pi- mu+ mu+) K- mu+ mu+) < 6.7 x 10^{-8}.Comment: 8 pages, 4 postscript figures, submitted to Phys. Rev. D. R

    Deriving a mutation index of carcinogenicity using protein structure and protein interfaces

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    With the advent of Next Generation Sequencing the identification of mutations in the genomes of healthy and diseased tissues has become commonplace. While much progress has been made to elucidate the aetiology of disease processes in cancer, the contributions to disease that many individual mutations make remain to be characterised and their downstream consequences on cancer phenotypes remain to be understood. Missense mutations commonly occur in cancers and their consequences remain challenging to predict. However, this knowledge is becoming more vital, for both assessing disease progression and for stratifying drug treatment regimes. Coupled with structural data, comprehensive genomic databases of mutations such as the 1000 Genomes project and COSMIC give an opportunity to investigate general principles of how cancer mutations disrupt proteins and their interactions at the molecular and network level. We describe a comprehensive comparison of cancer and neutral missense mutations; by combining features derived from structural and interface properties we have developed a carcinogenicity predictor, InCa (Index of Carcinogenicity). Upon comparison with other methods, we observe that InCa can predict mutations that might not be detected by other methods. We also discuss general limitations shared by all predictors that attempt to predict driver mutations and discuss how this could impact high-throughput predictions. A web interface to a server implementation is publicly available at http://inca.icr.ac.uk/
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