The spherical quadratic steepest descent (SQSD) method for unconstrained minimization with no explicit line searches

AbstractA very simple gradient only algorithm for unconstrained minimization is proposed that, in terms of storage requirement and computational efficiency, may be considered as an alternative to the conjugate gradient line search methods for large problems. The method effectively applies the steepest descent method to successive simple (spherical) quadratic approximations of the objective function in such a way that no explicit line searches are performed in solving the minimization problem. It is shown that the method is convergent when applied to general positive-definite quadratic functions. The method is tested by its application to some standard and other test problems. On the evidence presented, the new method, called the SQSD algorithm, appears to be reliable and stable, and very competitive compared to the well-established Fletcher-Reeves and Polak-Ribiere conjugate gradient methods. In particular, it does very well when applied to extremely ill-conditioned problems

Relativistic treatment of harmonics from impurity systems in quantum wires

Within a one particle approximation of the Dirac equation we investigate a defect system in a quantum wire. We demonstrate that by minimally coupling a laser field of frequency omega to such an impurity system, one may generate harmonics of multiples of the driving frequency. In a multiple defect system one may employ the distance between the defects in order to tune the cut-off frequency.Comment: 9 pages Latex, 8 eps figures, section added, numerics improve

Flexural Behavior Analysis and Design Approach for R.C. Beams by Hybrid Reinforcement of Steel Rebars and HDPE Uniaxial Geogrids

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Soil-landscape and climatic relationships in the middle Miocene of the Madrid Basin

The Miocene alluvial-lacustrine sequences of the Madrid Basin, Spain, formed in highly varied landscapes. The presence of various types of palaeosols allows assessment of the effects of local and external factors onsedimentation, pedogenesis and geomorphological development. In the northern, more arid, tectonicallyactive arca, soils were weakly developed in aggrading alluvial fans, dominated by mass flows. reflecting high sedimentation rates. In more distal parts of the fans and in playa lakes calcretes and dolocretes developed: the former were associated with Mg-poor fan sediments whitc: the latter formed on Mg-rich lake clays exposed during minar lake lowstands. The nonh-east part of the basin had a less arid climate. Alluvial fans in this area were dominated by stream Aood deposits, sourced by carbonate terrains. Floodplain and freshwater lakc deposits formed in distal areas. The high local supply of calcium carbonate may have contributed to the preferential developmenl on calcretes on the fans. Both the fan and floodplain palaeosols exhibit pedofacies relationships and more mature soils developed in settings more distant from the sediment sources. Palaeosols also developed on pond and lake margin carbonates, and led to the formation of palustrine limestones. The spatial distributions and stratigraphies of palaeosols in the Madrid Basin alluvial fans suggest that soil formation was controlled by local factors. These palaeosols differ from those seen in Quatemary fans. Which are characterized by climatically induced periods of stability and instability

Information for decision making from imperfect national data: tracking major changes in health care use in Kenya using geostatistics

Background: most Ministries of Health across Africa invest substantial resources in some form of health management information system (HMIS) to coordinate the routine acquisition and compilation of monthly treatment and attendance records from health facilities nationwide. Despite the expense of these systems, poor data coverage means they are rarely, if ever, used to generate reliable evidence for decision makers. One critical weakness across Africa is the current lack of capacity to effectively monitor patterns of service use through time so that the impacts ofchanges in policy or service delivery can be evaluated. Here, we present a new approach that, for the first time, allows national changes in health service use during a time of major health policy change to be tracked reliably using imperfect data from a national HMIS.Methods: monthly attendance records were obtained from the Kenyan HMIS for 1 271 government-run and 402 faith-based outpatient facilities nationwide between 1996 and 2004. Aspace-time geostatistical model was used to compensate for the large proportion of missing records caused by non-reporting health facilities, allowing robust estimation of monthly and annualuse of services by outpatients during this period.Results: we were able to reconstruct robust time series of mean levels of outpatient utilisation of health facilities at the national level and for all six major provinces in Kenya. These plots revealed reliably for the first time a period of steady nationwide decline in the use of health facilities in Kenyabetween 1996 and 2002, followed by a dramatic increase from 2003. This pattern was consistent across different causes of attendance and was observed independently in each province.Conclusion: the methodological approach presented can compensate for missing records in health information systems to provide robust estimates of national patterns of outpatient service use. This represents the first such use of HMIS data and contributes to the resurrection of these hugely expensive but underused systems as national monitoring tools. Applying this approach to Kenya has yielded output with immediate potential to enhance the capacity of decision makers in monitoring nationwide patterns of service use and assessing the impact of changes in health policy and service deliver

Modeling the Sources and Chemistry of Polar Tropospheric Halogens (Cl, Br, and I) Using the CAM-Chem Global Chemistry-Climate Model

31 pags., 12 figs., 6 tabs. -- Open Access funded by Creative Commons Atribution Licence 4.0. -- jame20925-sup-0001_Supporting_Information.pdfCurrent chemistry climate models do not include polar emissions and chemistry of halogens. This work presents the first implementation of an interactive polar module into the very short-lived (VSL) halogen version of the Community Atmosphere Model with Chemistry (CAM-Chem) model. The polar module includes photochemical release of molecular bromine, chlorine, and interhalogens from the sea-ice surface, and brine diffusion of iodine biologically produced underneath and within porous sea-ice. It also includes heterogeneous recycling of inorganic halogen reservoirs deposited over fresh sea-ice surfaces and snow-covered regions. The polar emission of chlorine, bromine, and iodine reach approximately 32, 250, and 39 Gg/year for Antarctica and 33, 271, and 4 Gg/year for the Arctic, respectively, with a marked seasonal cycle mainly driven by sunlight and sea-ice coverage. Model results are validated against polar boundary layer measurements of ClO, BrO, and IO, and satellite BrO and IO columns. This validation includes satellite observations of IO over inner Antarctica for which an iodine “leapfrog” mechanism is proposed to transport active iodine from coastal source regions to the interior of the continent. The modeled chlorine and bromine polar sources represent up to 45% and 80% of the global biogenic VSL and VSL emissions, respectively, while the Antarctic sea-ice iodine flux is ~10 times larger than that from the Southern Ocean. We present the first estimate of the contribution of polar halogen emissions to the global tropospheric halogen budget. CAM-Chem includes now a complete representation of halogen sources and chemistry from pole-to-pole and from the Earth's surface up to the stratopause.This study has been funded by the European Research Council Executive Agency under the European Union′s Horizon 2020 Research and Innovation program (Project “ERC‐2016‐COG 726349 CLIMAHAL”) and supported by the Consejo Superior de Investigaciones Científicas (CSIC) of Spain. Computing resources, support, and data storage are provided and maintained by the Computational and Information System Laboratory from the National Center of Atmospheric Research (CISL,2017). R. P. F. would like to thank CONICET, ANPCyT (PICT 2015‐0714), UNCuyo (SeCTyP M032/3853), and UTN (PID 4920‐194/2018) for the financial support. Partial funding for this work was provided by the Korea Polar Research Institute (KOPRI) project (PE18200). The contributions of the University of Bremen have been supported by the State of Bremen, the German Research Foundation (DFG), the German Aerospace (DLR), and the European Space Agency (ESA). We gratefully acknowledge the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) —Projektnummer 268020496—TRR 172, within the Transregional Collaborative Research Center “ArctiC Amplification: Climate Relevant Atmospheric and SurfaCe Processes,and Feedback Mechanisms (AC)3 ” in subproject C03 as well as the support by the University of Bremen Institutional Strategy Measure M8 in the framework of the DFG Excellence Initiative

Same-sign W pair production as a probe of double parton scattering at the LHC

We study the production of same-sign W boson pairs at the LHC in double parton interactions. Compared with simple factorised double parton distributions (dPDFs), we show that the recently developed dPDFs, GS09, lead to non-trivial kinematic correlations between the W bosons. A numerical study of the prospects for observing this process using same-sign dilepton signatures, including same-sign WWjj, di-boson and heavy flavour backgrounds, at 14 TeV centre-of-mass energy is then performed. It is shown that a small excess of same-sign dilepton events from double parton scattering over a background dominated by single scattering WZ(gamma*) production could be observed at the LHC.Comment: 14 pages, 8 figures. Added references, slight changes in the text

Antifungal Chromans Inhibiting the Mitochondrial Respiratory Chain of Pea Seeds and New Xanthones from Calophyllum caledonicum

Two new xanthones, caledonixanthone M 1 and caloxanthone L 2, and one new acid, caledonic acid 6 were isolated from the hexane-soluble extract of the stem bark of Calophyllum caledonicum. In the course of this phytochemical study, seven other known compounds - calothwaitesixanthone, calozeyloxanthone, allanxanthone, isoapetalic acid 3, calolongic acid 4, apetalic acid 5 and isocalolongic acid 7 - were isolated. Their antifungal activity against the growth of the human pathogenic fungus Aspergillus fumigatus was then investigated. The results indicated that the crude extract, calolongic acid 4 and isocalolongic acid 7 exhibited strong inhibitory effects with MIC80 values of 8, 4, 2 pg/mL, respectively. Besides, calolongic acid 4, its lactone derivative 4a and isocalolongic acid 7 markedly reduced the respiration of pea seed mitochondria

Nucleation of a sodium droplet on C60

We investigate theoretically the progressive coating of C60 by several sodium atoms. Density functional calculations using a nonlocal functional are performed for NaC60 and Na2C60 in various configurations. These data are used to construct an empirical atomistic model in order to treat larger sizes in a statistical and dynamical context. Fluctuating charges are incorporated to account for charge transfer between sodium and carbon atoms. By performing systematic global optimization in the size range 1<=n<=30, we find that Na_nC60 is homogeneously coated at small sizes, and that a growing droplet is formed above n=>8. The separate effects of single ionization and thermalization are also considered, as well as the changes due to a strong external electric field. The present results are discussed in the light of various experimental data.Comment: 17 pages, 10 figure