bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tolerance of two Bifora radians Bieb populations to ALS inhibitors in winter wheat
Authors: Mennan Husrev , Streibig Jens C , Ngouajio Mathieu , Kaya Emine 
Published: June 2011

AbstractBACKGROUND: Bifora radians, an annual weed in winter wheat, is distributed mainly in the Mediterranean area, Asia Minor and the Caucasus. It infests winter‐sown crops of the Central Anatolia and Middle Black Sea regions of Turkey. Field experiments in heavily B. radians‐infested fields were conducted over 3 years in Samsun, Turkey, to determine the response of B. radians to ALS‐inhibiting herbicides, because growers had complained of a decrease in herbicide effect.RESULTS: The efficacy of ALS inhibitors on a putatively tolerant population sprayed annually with ALS inhibitors and an adjacent allegedly sensitive population was estimated at the ED50 and ED90 response levels. The recommended rates of herbicides controlled 90% of the weed (ED90) in the sensitive population at the early stage of B. radians development, but not in the tolerant population. The relative potencies (EDx(tolerant)/EDx(sensitive)) of herbicides on the two populations were estimated by assuming years as being random effects. The relative potency was on average about 1.7, irrespective of the EDx levels.CONCLUSION: Although the relative potencies were not large, they were large enough to be noted by growers. In field experiments it would be important to establish tools demonstrating when farmers recognise loss of herbicide efficacy. There has been no indication of evolution of resistant biotypes so far, but continuous spraying favours biotypes with increased levels of tolerance. Copyright © 2011 Society of Chemical Industry
Studies of lithium argyrodite solid electrolytes for all‐solid‐state batteries
Authors: Rao R. P. , Adams S. 
Published: June 2011

AbstractRechargeable all‐solid‐state lithium Li‐ion batteries (AS‐LIBs) are attractive power sources for electrochemical applications; due to their potentiality in improving safety and stability over conventional batteries with liquid electrolytes. AS‐LIBs require a Li‐fast ion conductor (FIC) as the solid electrolyte. Finding a solid electrolyte with high ionic conductivity and compatibility with other battery components is a key factor in building high performance AS‐LIBs. There have been numerous studies, e.g., on lithium rich sulfide glasses as solid electrolytes. However, the limited current density remains a major obstacle in developing competitive batteries based on the known solid electrolytes. Here we prepare argyrodite‐type Li6PS5X (X = Cl, Br, I) using mechanical milling followed by annealing. XRD characterization reveals the formation and growth of Li6PS5X crystals in samples under varying annealing conditions. For Li6PS5Cl an ionic conductivity of the order of 10−4 S/cm is reached at room temperature, which is close to the Li mobility in conventional liquid electrolytes (LiPF6 in various carbonates) and well suitable for AS‐LIBs.
Structural, electrical, and surface morphological characteristics of rapidly annealed Pt/Ti Schottky contacts to n‐type InP
Authors: Reddy V. Rajagopal , Reddy D. Subba , Naik S. Sankar , Choi C.‐J. 
Published: June 2011

AbstractWe have investigated the electrical and structural properties of Pt/Ti metallization scheme on n‐type InP as a function of annealing temperature using current–voltage (I–V), capacitance–voltage (C–V), Auger electron spectroscopy (AES), and X‐ray diffraction (XRD) measurements. Measurements showed that barrier height of as‐deposited Pt/Ti Schottky contact is 0.62 eV (I–V) and 0.76 eV (C–V). Experimental results indicate that high‐quality Schottky contact with barrier height and ideality factor of 0.66 eV (I–V), 0.80 eV (C–V), and 1.14 can be achieved after annealing at 400 °C for 1 min in N2 atmosphere. Further, it is observed that the barrier height slightly decreases to 0.55 eV (I–V) and 0.71 eV (C–V) after annealing at 500 °C. Norde method is also employed to calculate the barrier height of Pt/Ti Schottky contacts. The obtained values are in good agreement with those obtained by I–V measurements. These results indicate that the optimum annealing temperature for the Pt/Ti Schottky contact is 400 °C. According to AES and XRD analysis, the formation of indium phases at the Pt/Ti/n‐InP interface could be the reason for the increase of Schottky barrier height (SBH) after annealing at 400 °C. Results also showed the formation of phosphide phases at the interface. This may be the reason for the decrease in the barrier height after annealing at 500 °C. The AFM results showed that the overall surface morphology of Pt/Ti Schottky contact is reasonably smooth.
Soft X‐ray induced oxidation on acrylic acid grafted luminescent silicon quantum dots in ultrahigh vacuum
Authors: Chao Yimin , Wang Qi , Pietzsch Annette , Hennies Franz , Ni Hongjun 
Published: June 2011

AbstractWater soluble acrylic acid grafted luminescent silicon quantum dots (Si‐QDs) were prepared by a simplified method. The resulting Si‐QDs dissolved in water and showed stable strong luminescence with peaks at 436 and 604 nm. X‐ray photoelectron spectroscopy (XPS) was employed to examine the surface electronic states after the synthesis. The co‐existence of the Si2p and C1s core levels infers that the acrylic acid has been successfully grafted on the surface of silicon quantum dots. To fit the Si2p spectrum, four components were needed at 99.45, 100.28, 102.21 and 103.24 eV. The first component at 99.45 eV (I) was assigned to Si–Si within the silicon core of the Si‐QDs. The second component at 100.28 eV (II) was from Si–C. The third at 102.21 eV (III) was a sub‐oxide state and the fourth at 103.24 eV (IV) was from SiO2 at Si‐QDs surface. With an increase in exposure to soft X‐ray photons, the intensity ratio of the two peaks within the Si2p region A and B increased from 0.5 to 1.4 while the peak A intensity decreased, and eventually a steady state was reached. This observation is explained in terms of photon‐induced oxidation taking place within the surface dangling bonds. As the PL profile for Si‐QDs is influenced by the degree of oxidation within the nanocrystal structure, the inducement of oxidation by soft X‐rays will play a role in the range of potential applications where such materials could be used – especially within biomedical labelling.
Low‐energy conductance of graphene nanoribbons
Authors: Zhang Yong , Han Mei 
Published: June 2011

AbstractWithin the nearest‐neighbor tight‐binding theory, the low‐energy conductance of graphene nanoribbons (GNRs) has been numerically calculated by using the Green's function method. The effects of the coupling between the GNRs and the electrodes on conductance oscillations of GNRs have been investigated. It is shown that the conductance oscillations appear at strong coupling. It is interesting to find that, on the first conductance step, all GNRs have only one quasiperiodic conductance oscillation; on the second conductance step, the zigzag edge GNRs and semiconducting armchair edge GNRs have two quasiperiodic conductance oscillations, i.e., a rapid conductance oscillation over a slow fluctuation background, while the metallic armchair edge GNRs have only one conductance oscillation. The mechanism underlying the origin of the conductance oscillations has been revealed.
Electronic and transport properties of disordered transition‐metal alloys
Authors: Ködderitzsch D. , Lowitzer S. , Staunton J. B. , Ebert H. 
Published: June 2011

AbstractWe present a first‐principles approach to describe electronic transport of disordered alloys in a material specific way. The electronic structure is represented in terms of the relativistic multiple scattering KKR‐Green function. Disorder with possible inclusion of short‐ranged order effects is taken into account by the coherent‐potential approximation or its non‐local formulation. A salient feature of the presented method is the possibility to combine it with a linear response Kubo framework, allowing for a detailed investigation of many transport phenomena which are of immediate relevance for applications in which electrons and/or their spin are manipulated. This is illustrated by several examples and developments, among them the description of the residual resistivity of K‐state‐ and ferromagnetic alloys. Inclusion of relativistic effects by using the Dirac‐formalism represents the basis to deal with the anomalous Hall effect and to derive a relativistic spin‐projection scheme for currents.
Simulating the organic‐molecule/metal interface TCNQ/Au(111)
Authors: Martínez José I. , Abad Enrique , Flores Fernando , Ortega José 
Published: June 2011

AbstractA density functional calculation is performed to analyze the tetracyanoquinodimethane (TCNQ)/Au(111) interface, including the effect of the molecular charging energy on the transport gap. We find that the adsorbed TCNQ molecules are bent so that the edge N atoms are closer to the Au(111) surface. Theoretical scanning tunneling microscopy (STM) imaging is carried out and compared with the experimental STM for the TCNQ/Au(111) self‐assembled structure, finding good agreement, and validating the interface geometry obtained in our calculations. We show that the alignment between the metal and the organic levels is controlled by the charge transfer between the two materials and the dipole created in the molecule because of its deformation when adsorbed in Au(111). The calculated transport gap is 3.1 eV.
Where science fiction meets reality? With oxide semiconductors!
Authors: Fortunato E. , Martins R. 
Published: June 2011

AbstractTransparent electronics is today one of the most advanced topics for a wide range of device applications, where the key components are wide band gap semiconductors, where oxides of different origin play an important role, not only as passive components but also as active components similar to what we observe in conventional semiconductors. As passive components they include the use of these materials as dielectrics for a wide range of electronic devices and also as transparent electrical conductors for use in several optoelectronic applications, such as liquid crystal displays, organic light emitting diodes, solar cells, optical sensors etc. As active materials, they exploit the use of truly electronic semiconductors where the main emphasis is being put on transparent thin film transistors, light emitting diodes, lasers, ultraviolet sensors and integrated circuits among others.magnified image(© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Leading‐order behavior of the correlation energy in the uniform electron gas
Authors: Loos Pierre‐François , Gill Peter M. W. 
Published: June 2011

AbstractWe show that, in the high‐density limit, restricted Møller‐Plesset (RMP) perturbation theory yields E = π−2(1 − ln 2) ln rs + O(r) for the correlation energy per electron in the uniform electron gas, where rs is the Seitz radius. This contradicts an earlier derivation which yielded E = O(ln|ln rs|). The reason for the discrepancy is explained. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Computational study of the catalytic effect of platinum on the decomposition of DNT
Authors: Lenz Annika , Pohl Anna , Ojamäe Lars , Persson Petter 
Published: June 2011

AbstractThe catalytic decomposition of dinitrotoluene (DNT; 3‐4‐DNT), a by‐product of the explosive trinitrotoluene (trotyl), on a platinum surface is investigated computationally. Reaction paths have been computed for a DNT molecule interacting with a Pt‐cluster under varying temperatures using quantum‐chemical density functional theory. Two possible initiation steps where DNT split either into nitro‐tolyl and NO2, or in nitro‐tolyl‐oxidanyl and NO, are considered. The energy barrier for the catalytic process is found to decrease significantly for the Pt catalyzed reaction compared with the uncatalyzed reaction. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem 112: 1852–1858, 2012
Cell death‐independent functions of granzymes: hit viruses where it hurts
Authors: van Domselaar Robert , Bovenschen Niels 
Published: June 2011

SUMMARYGranule exocytosis by cytotoxic lymphocytes is the key mechanism of our immune response to eliminate virus‐infected cells. These lytic granules contain the pore‐forming protein perforin and a set of five serine proteases called granzymes (GrA, GrB, GrH, GrK, GrM) that display distinct substrate specificities. Granzymes have mostly been studied for their ability to induce cell death. However, viruses have evolved many inhibitors to effectively block apoptosis. Evidence is emerging that granzymes also use noncytotoxic strategies to inhibit viral replication and potential viral reactivation from latency. Granzymes directly cleave viral or host cell proteins that are required in the viral life cycle. Furthermore, granzymes induce a pro‐inflammatory cytokine response to create an antiviral environment. In this review, we summarize and discuss these novel strategies by which the immune system counteracts viral infections, and we will address the potential therapeutic applications that could emerge from this intriguing mechanism. Copyright © 2011 John Wiley & Sons, Ltd.
GETTING TO SCALE WITH ENVIRONMENTAL FLOW ASSESSMENT: THE WATERSHED FLOW EVALUATION TOOL
Authors: Sanderson J. S. , Rowan N. , Wilding T. , Bledsoe B. P. , Miller W. J. , Poff N. L. 
Published: June 2011

ABSTRACTGrowing water demand across the world is increasing the stress on river ecosystems, causing concern for both biodiversity and people. River‐specific environmental flow assessments cannot keep pace with the rate and geographic extent of water development. Society needs methods to assess ecological impacts of flow management at broad scales so that appropriate regional management can be implemented. To meet this need in Colorado, USA, we developed a Watershed Flow Evaluation Tool (WFET) to estimate flow‐related ecological risk at a regional scale. The WFET entails four steps: (i) modelling natural and developed daily streamflows; (ii) analysing the resulting flow time series; (iii) describing relationships between river attributes and flow metrics (flow–ecology relationships); and (iv) mapping of flow‐related risk for trout, native warm‐water species and riparian plant communities. We developed this tool in two watersheds with differing geomorphic settings and data availability. In one of the two watersheds, the WFET was successfully implemented to assess ecological risk across the 3400‐km2 watershed, providing consistent watershed‐wide information on flow‐related risk. In the other watershed, active channel change and limited data precluded a successful application. In Colorado, the WFET will be used to evaluate the risk of impacts on river ecosystems under future climate change and water development scenarios (e.g. for energy development or municipal water supply). As water continues to be developed for people, the WFET and similar methods will provide a cost‐effective means to evaluate and balance ecosystem needs at large scales. Copyright © 2011 John Wiley & Sons, Ltd.
A percolation process on the square lattice where large finite clusters are frozen
Authors: van den Berg Jacob , de Lima Bernardo N.B. , Nolin Pierre 
Published: June 2011

AbstractIn (Aldous, Math. Proc. Cambridge Philos. Soc. 128 (2000), 465–477), Aldous constructed a growth process for the binary tree where clusters freeze as soon as they become infinite. It was pointed out by Benjamini and Schramm that such a process does not exist for the square lattice.This motivated us to investigate the modified process on the square lattice, where clusters freeze as soon as they have diameter larger than or equal to N, the parameter of the model. The non‐existence result, mentioned above, raises the question if the N‐ parameter model shows some ‘anomalous’ behaviour as N →∞. For instance, if one looks at the cluster of a given vertex, does, as N →∞, the probability that it eventually freezes go to 1? Does this probability go to 0? More generally, what can be said about the size of a final cluster? We give a partial answer to some of such questions. © 2011 Wiley Periodicals, Inc. Random Struct. Alg., 2012
Sequential change‐point detection based on direct density‐ratio estimation
Authors: Kawahara Yoshinobu , Sugiyama Masashi 
Published: June 2011

AbstractChange‐point detection is the problem of discovering time points at which properties of time‐series data change. This covers a broad range of real‐world problems and has been actively discussed in the community of statistics and data mining. In this paper, we present a novel nonparametric approach to detecting the change of probability distributions of sequence data. Our key idea is to estimate the ratio of probability densities, not the probability densities themselves. This formulation allows us to avoid nonparametric density estimation, which is known to be a difficult problem. We provide a change‐point detection algorithm based on direct density‐ratio estimation that can be computed very efficiently in an online manner. The usefulness of the proposed method is demonstrated through experiments using artificial and real‐world datasets. © 2011 Wiley Periodicals, Inc. Statistical Analysis and Data Mining 2011
The interaction of CO2 and CO with Fe‐doped SrTiO3(100) surfaces
Authors: Voigts F. , Argirusis Chr. , Maus‐Friedrichs W. 
Published: June 2011

The interaction of CO2 and CO with 0.013 at.% Fe‐doped SrTiO3(100) was investigated in situ with Metastable Induced Electron Spectroscopy (MIES) and XPS at room temperature. To clear up the influence of surface defects, cleaned and sputtered SrTiO3 surfaces were investigated. Sputtering results in the breaking of TiO bonds in the surface and the formation of oxygen‐related defects as well as reduced titanium on the surface.Cleaned SrTiO3 surfaces do neither interact with CO2 nor with CO. Sputtered surfaces show a CO formation during CO2 exposure and—to a lesser extent—during CO exposure. The CO groups can be detected very well with MIES because of its extreme surface sensitivity. With XPS, the characteristic carbonate peak shift of the C 1s orbitals can be detected. Copyright © 2011 John Wiley & Sons, Ltd.
Incremental reflexion analysis
Authors: Koschke Rainer 
Published: June 2011

SUMMARYArchitecture conformance checking is implemented in many commercial and research tools. These tools typically implement the reflexion analysis originally proposed by Murphy, Notkin, and Sullivan. This analysis allows for structural validation of an architecture model against a source model connected by a mapping from source entities onto architecture entities. Given this mapping, the reflexion analysis computes the discrepancies between the architecture model and source model automatically. The mapping process is usually highly interactive and the most time‐consuming activity in the reflexion analysis. In current tools, the reflexion analysis must be repeated completely whenever the underlying source or architecture models or the mapping changes. In large systems, the recomputation can hinder interactive use as users expect an immediate response to their changes. This paper describes an incremental reflexion analysis that does not require a complete repetition of the reflexion analysis. Instead, it repeats the analysis only for those parts that are actually influenced by a change. The incremental reflexion analysis is evaluated on large real‐world systems. Copyright © 2011 John Wiley & Sons, Ltd.
Strain Rate Dependent Flow Stress and Energy Absorption Behaviour of Cast CrMnNi TRIP/TWIP Steels
Authors: Krüger L. , Wolf S. , Martin S. , Martin U. , Jahn A. , Weiß A. , Scheller P.R. 
Published: June 2011

AbstractModern steel developments often use additional deformation mechanisms like the deformation induced martensitic transformation (TRIP‐effect) and mechanical twinning (TWIP‐effect) to enhance elongation and strength. Three high‐alloyed cast CrMnNi‐steels with different austenite stabilities were examined. Dependent on the austenite stability, TRIP‐effect and TWIP‐effect were found. A low austenite stability causes a distinctive formation of deformation induced α'‐martensite and therefore a strong strain hardening. The increase of strain rate leads to an increase in yield strength and flow stress, but also to a counteractive adiabatic heating of the specimen. Dependent on the degree of deformation, low austenite stabilities and high strain rates lead to excellent values in specific energy absorption.
Strength and Failure Behaviour of Spark Plasma Sintered Steel‐Zirconia Composites Under Compressive Loading
Authors: Krüger L. , Decker S. , Ohser‐Wiedemann R. , Ehinger D. , Martin S. , Martin U. , Seifert H.J. 
Published: June 2011

AbstractSeveral composites, consisting of a metastable austenitic steel matrix and varying amounts of MgO partially stabilized zirconia particles (Mg‐PSZ), were produced through spark plasma sintering (SPS). Compression tests were carried out at room temperature in a wide range of strain rate (4 · 10−4 s−1, 2 · 10−3 s−1, 10−1 s−1, 1 s−1, 102 s−1). In conjunction with subsequent microstructural investigations, the mechanical material behaviour was clarified. All composites showed a good ductility and a high strength. The strength increased with an increase of the ceramic content and with higher strain rates. Both, the martensitic transformation of the steel matrix and of the ceramic particles, could be proved at all strain rates. In this study no significant influence of the strain rate on the amount of transformed ceramic could be detected while the steel matrix showed less α′‐martensite after compression at rising strain rates. Local material failure occurred around 0.3 true compressive strain depending on the applied strain rate and the amount of the Mg‐PSZ powder. The main reason for the damage is the relatively weak ceramic‐ceramic interface within the ceramic clusters.
Selective Oxidation and Sub‐Surface Phase Transformation of TWIP Steel during Continuous Annealing
Authors: Gong Young Feng , De Cooman Bruno Charles 
Published: June 2011

AbstractThe selective oxidation of Twinning Induced Plasticity (TWIP) steel during annealing at 800 °C in a N2 + 10%H2 gas atmosphere with a dew point of −17 °C and −3 °C was investigated by means of high resolution transmission electron microscopy of cross‐sectional samples. The annealing resulted in the selective oxidation of Mn and Si and the austenite‐to‐ferrite phase transformation of the sub‐surface region. In the low dew point atmosphere, the annealing resulted in the formation of a MnO layer at the surface. Crystalline c–xMnO · SiO2 (x ≥ 2) particles and amorphous a–xMnO · SiO2 (x < 0.9) particles were found at the interface between the MnO layer and the steel matrix. In a narrow zone of the sub‐surface, the Mn depletion resulted in the transformation of the initial austenite. In the high dew point atmosphere, a thicker MnO layer was formed on the surface and no mixed manganese‐silicon oxides particles were observed at the MnO/steel matrix interface. In the sub‐surface, Mn was significantly depleted in the range of 2–3 µm below the surface and the initial austenite in this zone was transformed to ferrite. MnO particles were found at the grain boundaries and in the interior of grains.