bluuebunny/crossref_metadata_2025_split huggingface dataset:
Template‐controlled thermolysis of single‐source‐precursors
Authors: Erk Christoph , Wehrspohn R. B. , Steinhart Martin , Schlecht Sabine 
Published: September 2010

AbstractShape‐defining hard templates containing arrays of aligned cylindrical nanopores have been exploited as a powerful tool in the synthesis of tubular, rod‐like, and core–shell‐type one‐dimensional (1D) nanostructures consisting of inorganic materials. Gaining control over the crystallinity, the crystal orientation, and the internal morphology of the products is a challenging task and obviously turns out to be crucial for adjusting the properties of the nanostructures. Template‐controlled thermolysis of single‐source‐precursors inside nanoporous hard templates is a versatile route toward single‐crystalline nanorods, but also polycrystalline and complex nanostructures can be produced. By alterations of the single‐source‐precursors and reaction conditions and by exploiting the hard templates as reactants, several target materials, including compound semiconductors, metals, and spinel‐type materials of varying crystallinity and morphology can be obtained. Moreover, core–shell nanowires have been accessible in this way. The products synthesized inside macroporous silicon or mesoporous alumina templates exhibit large aspect ratios and high uniformity in size and shape. Therefore the template‐assisted thermolysis of single‐source‐precursors represents a well‐defined platform toward the straightforward synthesis and characterization of 1D inorganic nanostructures.
Preparation and magnetoviscosity of nanotube ferrofluids by viral scaffolding and ALD on porous templates
Authors: Wu Zhenyu , Zierold Robert , Mueller Anna , Ruff S. Emil , Ma Chenchen , Khan Abid A. , Geiger Fania , Sommer Bernd A. , Knez Mato , Nielsch Kornelius , Bittner Alexander M. , Wege Christina , Krill Carl E. 
Published: September 2010

AbstractCurrent models for magnetoviscosity suggest that replacing the spherical nanoparticles of a conventional ferrofluid with magnetic nanotubes would lead to a stronger field‐induced viscosity enhancement and a much‐improved stability against shear thinning – two important parameters for technological exploitation of the magnetoviscous effect. We report the development of positive and negative templating strategies for the synthesis of magnetic nanotubes out of a variety of materials. Our positive template is Tobacco mosaic virus (TMV) – in natural form or genetically engineered to express specific surface chemistries and lengths – which we exploit as a template for the electroless deposition (ELD) of nanosized clusters of nickel and as a scaffold for magnetic particles in a conventional ferrofluid. Our negative templating strategy employs porous anodic aluminum oxide (AAO) as a substrate for the atomic layer deposition (ALD) of a conformal coating of iron oxide, offering precise control over the length and wall thickness of the resulting nanotubes. Both strategies were scaled up to produce the mass quantities of uniform‐aspect‐ratio nanotubes that are needed for macroscopic ferrofluid volumes. The magnetoviscosity of these “nanotube ferrofluid” samples was studied as a function of applied magnetic field and shear frequency, and a particularly strong effect was found to be induced by viral scaffolding.
ZnO nanowire arrays – Pattern generation, growth and applications
Authors: Zacharias Margit , Subannajui Kittitat , Menzel Andreas , Yang Yang 
Published: September 2010

AbstractZnO nanowires and related materials are in the focus of attention for electronic, optical or sensor applications. However, size, position and arrangement control are essential conditions for the development of future nanowire based devices. Various kinds of template methods including nanosphere lithography and UV laser interference lithography are powerful tools for the preparation of the starting metal catalyst arrays and will be demonstrated and discussed. However, only if the growth mechanism and its guiding parameters are understood in detail, the template will force a pattern arranged growth of nanowires. The paper gives an overview of the various kinds of growth modes for vertical arranged nanowires. Specific experimental conditions establishing the VS or the VLS growth are discussed. In addition, insight is given why the patterning is not all the time conserved and how to overcome these obstacles. In the second part different kinds of applications are summarized. Electronic properties are discussed based on metal–semiconductor–metal devices. The influence of a core–shell nanowire structure on the optical properties is demonstrated. In addition, a simple approach for ZnO nanowire based gas sensors is discussed and shown. As a last example, the transfer of Al2O3 coated nanowires into spinel tubes is reported. magnified image
Bond length dependence of the polarizability and hyperpolarizability of boron hydride
Authors: Maroulis George 
Published: September 2010

AbstractWe have calculated the dipole properties of boron hydride relying on finite‐field Møller‐Plesset perturbation theory and coupled cluster calculations. Our best values for the properties at the equilibrium bond length Re = 2.32889831 a0 have been obtained at the CCSD(T) level of theory with a very large uncontracted basis set (19s14p9d3f/11s9p3d1f) and are: dipole moment, μz = 0.5328 ea0, mean dipole polarizability α = 21.40, and anisotropy Δα = 2.68 e2aE, mean first hyperpolarizability, β = 68.8 e3aE and mean second dipole hyperpolarizability, γ = 10836 e4aE. The bond‐length dependence of all properties has been determined with a large (19s14p9d1f/11s9p1d) basis set at all levels of theory. At the CCSD(T) level the dipole moment and polarizability around the equilibrium Re is very well represented by the expansions[μ(R) − μ(Re)]/ea0 = −0.6205(R − Re) − 0.1786(R − Re)2 + 0.0928(R − Re)3 + 0.0287(R − Re)4[α(R) − α(Re)]/e2aE = 2.97(R − Re) + 2.69(R − Re)2 + 0.70(R −Re)3 − 0.65(R − Re)4[Δα(R) − Δα(Re)]/e2aE = 17.04(R − Re) + 1.98(R − Re)2 – 2.02(R − Re)3 − 0.11(R − Re)4The derivative of the mean first hyperpolarizability at the CCSD(T)/(19s14p9d1f/11s9p1d) level of theory is estimated as
$\left( {{{d \bar \beta } \over {dR}}} \right)_e /e^3 a_0^2E_h^{ - 2}$
= −62.7 ± 3.1. At the same level of theory the derivatives of the Cartesian components of the mean second hyperpolarizability are adequately estimated as,
$\left( {{{d\gamma _{zzzz} } \over {dR}}} \right)_e$
= 9907 ± 991,
$\left( {{{d\gamma _{xxxx} } \over {dR}}} \right)_e$
= −7441 ± 744, and
$\left( {{{d\gamma _{xxzz} } \over {dR}}} \right)_e$
= 1340 ± 134/e4aE. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Cavity field effects within a polarizable continuum model of solvation: Application to the calculation of electronic circular dichroism spectra of R‐(+)‐3‐methyl‐cyclopentanone
Authors: Pipolo Silvio , Cammi Roberto , Rizzo Antonio , Cappelli Chiara , Mennucci Benedetta , Tomasi Jacopo 
Published: September 2010

AbstractThe effect of the cavity field (CF) on electronic circular dichroism spectra simulated using a polarizable continuum model (PCM) is analyzed. The difference between classical and effective electric field, arising from the charges induced on the surface of the cavity by the radiation field, is shown to have a nonnegligible effect on the rotatory strengths computed within a TDDFT PCM in the case of R‐(+)‐3‐methyl‐ cyclopentanone, a chiral molecule whose ECD spectrum, both in the gas and in several solvents, has been studied both experimentally and theoretically in recent times. PCM CF factors are on the order of 10% smaller than predicted by the Onsager model for the lowest, S1 excited state, in the two conformers known to accommodate almost the whole population at room temperature, in the gas phase and in solution. The percentage increases quite substantially for the second, S2 excited electronic state. In PCM, CF factors are not merely scalar multiplicative factors for the gas‐phase rotational strengths. Instead, they show an anisotropy along the axes of the cavity—a consequence of the adoption of nonspherical cavities. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Study of geometries and electronic properties of AgSin clusters using DFT/TB
Authors: Ziella D. H. , Caputo M. C. , Provasi P. F. 
Published: September 2010

AbstractWe present a theoretical study of the structures of silver silicon clusters, AgSin, n = 1–15, using density functional tight binding methods. We discuss in detail the search for silicon clusters stabilized by silver dopage, their dissociation paths, and electronic properties. We also investigate the properties of silver encapsulated structures and compare them with those obtained when replacing the silver atom by different metals. Our results are checked against experimental measurements when available. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
The iterative self‐consistent reaction‐field method: The refractive index of pure water
Authors: Sylvester‐Hvid Kristian O. , Mikkelsen Kurt V. , Ratner Mark A. 
Published: September 2010

AbstractWe present different microscopic models for describing electromagnetic properties of condensed phases and the models involve iterative self‐consistent procedures for calculating the properties. We report calculations of the frequency‐dependent refractive index of pure water. We investigate the importance of the first solvation shell and nonequilibrium solvent configurations, and present a procedure for estimating appropriate cavity sizes. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Dimerization free energy of vancomycin‐group antibiotics and the cooperative effect: A density functional approach
Authors: Lee Jung‐Goo , Sagui Celeste , Roland Christopher 
Published: September 2010

AbstractThe cooperative effects between the binding of model bacterial cell wall termini and the dimer forms of the glycopeptide antibiotic vancomycin and chloro‐eremomycin were investigated with conventional and divide‐and‐conquer (DC) ab initio quantum chemistry simulations. This feature is potentially important for drug design and controlling molecular recognition phenomena in these and other biochemical systems. In terms of the calculation, the vibrational contributions to the dimerization free energies of both molecules found to be the most costly and necessitated the use of the DC method. We specifically focused on calculating the relative strength of the cooperative effect for the two antibiotics. In good agreement with experiments, we find that the cooperative effect is stronger for chloro‐eremomycin by about 1.39 kcal/mol. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Awareness vs Intentionality: Exploring Education for Sustainable Development in a British Hindu Community
Authors: Chauhan Sheila , Rama das Sita , Haigh Martin , Rita Natalia 
Published: September 2010

ABSTRACTThis aims of this community education initiative is to foster sustainability consciousness and behavioural change in the UK's minority Hindu community and determine how awareness affects behavioural intentions. This report compares the effectiveness of an educational experience designed for the congregation at the Janmashtami Festival organized at Bhaktivedanta Manor Temple with its effectiveness at two external events. The experience involves a series of exhibits that link environmental themes with spiritual lifestyle choices through an Ecological Footprint questionnaire, a consultation session, and a pledge tree where respondents vow to make one lifestyle change. Despite the differences in religious context and audience demographic, results are similar. Participants recognized a wide range of lifestyle‐related sustainability issues but were persuaded to pledge changes that were small, easily achieved and tightly specified. They avoided issues that involved major impacts on their lives and were most positive to changes considered to be aligned with the majority values of their community. Copyright © 2010 John Wiley & Sons, Ltd and ERP Environment.
Sample size and power calculations for correlations between bivariate longitudinal data
Authors: Comulada W. Scott , Weiss Robert E. 
Published: September 2010

AbstractThe analysis of a baseline predictor with a longitudinally measured outcome is well established and sample size calculations are reasonably well understood. Analysis of bivariate longitudinally measured outcomes is gaining in popularity and methods to address design issues are required. The focus in a random effects model for bivariate longitudinal outcomes is on the correlations that arise between the random effects and between the bivariate residuals. In the bivariate random effects model, we estimate the asymptotic variances of the correlations and we propose power calculations for testing and estimating the correlations. We compare asymptotic variance estimates to variance estimates obtained from simulation studies and compare our proposed power calculations for correlations on bivariate longitudinal data to power calculations for correlations on cross‐sectional data. Copyright © 2010 John Wiley & Sons, Ltd.
Role models—implementation‐based approaches to using roles
Authors: Selçuk Yunus Emre , Erdoğan Nadia 
Published: September 2010

AbstractA role of an entity can be defined as the set of properties that are important for an object in order to behave in a certain way, as expected by a set of other objects. A role model is a software that specifies a style of designing and implementing roles. This paper evaluates roles in the context of modeling dynamic systems by examining its foundations, surveying the recent role models available for academic use and giving implementation examples. Copyright © 2010 John Wiley & Sons, Ltd.
SPINE: a domain‐specific framework for rapid prototyping of WBSN applications
Authors: Bellifemine Fabio , Fortino Giancarlo , Giannantonio Roberta , Gravina Raffaele , Guerrieri Antonio , Sgroi Marco 
Published: September 2010

AbstractWireless body sensor networks (WBSNs) enable a broad range of applications for continuous and real‐time health monitoring and medical assistance. Programming WBSN applications is a complex task especially due to the limitation of resources of typical hardware platforms and to the lack of suitable software abstractions. In this paper, SPINE (signal processing in‐node environment), a domain‐specific framework for rapid prototyping of WBSN applications, which is lightweight and flexible enough to be easily customized to fit particular application‐specific needs, is presented. The architecture of SPINE has two main components: one implemented on the node coordinating the WBSN and one on the nodes with sensors. The former is based on a Java application, which allows to configure and manage the network and implements the classification functions that are too heavy to be implemented on the sensor nodes. The latter supports sensing, computing and data transmission operations through a set of libraries, protocols and utility functions that are currently implemented for TinyOS platforms. SPINE allows evaluating different architectural choices and deciding how to distribute signal processing and classification functions over the nodes of the network. Finally, this paper describes an activity monitoring application and presents the benefits of using the SPINE framework. Copyright © 2010 John Wiley & Sons, Ltd.
Network Intrusion Detection Using Class Association Rule Mining Based on Genetic Network Programming
Authors: Chen Ci , Mabu Shingo , Shimada Kaoru , Hirasawa Kotaro 
Published: September 2010

AbstractBecause of the expansion of the Internet in recent years, computer systems are exposed to an increasing number and type of security threats. How to detect network intrusions effectively becomes an important technique. This paper proposes a class association rule mining approach based on genetic network programming (GNP) for detecting network intrusions. This approach can deal with both discrete and continuous attributes in network‐related data. And it can be flexibly applied to both misuse detection and anomaly detection. Experimental results with KDD99Cup and DARPA98 database from MIT Lincoln Laboratory shows that the proposed method provides a competitive high detection rate (DR) compared to other machine learning techniques. © 2010 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Distributed‐Intelligence Approaches for Weighted Just‐in‐Time Production
Authors: Weng Wei , Fujimura Shigeru 
Published: September 2010

AbstractThis paper considers the dynamic flexible‐flow shop scheduling problem in which the manufacturing environment consists of multiple stages with multiple machines at each stage. All jobs must go through all stages in sequence in order to become a product, and the processing time for each product on each machine is different. There exists a delivery time between machines of neighboring stages, and the release time of each job is unknown, which means that a new job may be released into the system at any time. The objective of this work is to minimize the total earliness and tardiness penalties of all jobs, or to achieve just‐in‐time production. Previous researches did much on the static scheduling of such problem with different objectives, whereas little effort has been made on dynamic scheduling for such problem, which is more difficult than the static problem but becomes more and more important under the increasingly competitive manufacturing industry. Therefore, to address such need, efforts are made on dynamic scheduling and several distributed‐intelligence approaches are proposed in this paper. Featured by concurrent computing, the distributed‐intelligence approaches have been tested on two different manufacturing environments, whose result tells that the proposed approaches deliver competitive performance for the targeted problem. © 2010 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
EvoCMAR: A New Evolutionary Method to Directly Mine Association Rules for Classification
Authors: Yang Guangfei , Mabu Shingo , Shimada Kaoru , Hirasawa Kotaro 
Published: September 2010

AbstractIn this paper, we propose an evolutionary method with a three‐layer structure to directly mine association rules for classification. The association rules have been demonstrated to be useful for classification, such as classification based on association rule (CBA) and classification method based on multiple association rule (CMAR), and they are found to be more accurate than some traditional methods, such as C4.5. Generally speaking, there are two phases in an associative classification method: (i) association rules mining; (ii) classification by association rules. However, the two phases are almost separated, viz, during the first phase, the mining of association rules does not focus on classification. Moreover, when building the classifier in the second phase, most of the association rues will be pruned. As a result, if we are able to directly mine the classification association rules, we can save time. Meanwhile, we can expect even better accuracy because the mining procedure itself considers the classification. In this paper, we build a novel evolutionary method, named evolutionary classification method based on multiple association rule (EvoCMAR), to tackle these problems, and the simulation results show that it performs well in both accuracy and speed. © 2010 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Identification of Human Operations Using Data Clustering and its Applications to Automation
Authors: Zanma Tadanao , Sato Hayato , Okada Tomomi , Ishida Muneaki 
Published: September 2010

AbstractSome human operations are realized by the combination of continuous behaviors and logical judgment. Such a system is called a hybrid dynamical system (HDS). In this study, we consider a driving task as an HDS. Then, we identify the task using the clustering method, which is one of the methods used to identify an HDS. In addition, we apply the identified model to an automatic driving system. Both the simulation and application results illustrate the effectiveness of the proposed approach. © 2010 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Air Purification Capability of Charcoal and Its Evaluation
Authors: Shibata Shin‐Ichi , Kang BaoSheng , Oyabu Takashi , Kimura Haruhiko , Nanto Hidehito 
Published: September 2010

AbstractCharcoal has received much attention recently because of the various kinds of effective functions it can be put to. Especially, its deodorizing capability indoors has been well recognized. However, an evaluation method for this capability has not been established. It is necessary to devise a suitable method and introduce this capability to the general public using an index value. They can then understand the capability easily by the value and use it positively. In this study, an evaluation method is proposed, wherein the deodorizing capability of charcoal is evaluated in an experimental chamber using a tin oxide gas sensor, which outputs a signal according to the concentration of an air‐polluting chemical. The sensor output increases as the concentration of the chemical increases. The index value (Pa) indicating the capability can be represented using the sensor output characteristic to the chemical, using the peak value (h) and the half‐value width (tw); Pa = h/tw × 100. The peak value here means the voltage from offset level to the peak value of the output. Four kinds of charcoals were examined. Especially, charcoal from Japanese cedar and oak were investigated. The results show that both samples give almost same value (Pa = ∼10). Cedar charcoal is cheaper and the heat energy required is also lower than for oak charcoal. This is good for cedar charcoal. It is considered that by installing charcoal in an indoor environment the air quality can be improved and people can have a safe and comfortable life. Charcoal has therefore the capability to remediate indoor air pollution. © 2010 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
General momentum theory for wind turbines at low tip speed ratios
Authors: Sørensen Jens N. , van Kuik Gijs A. M. 
Published: September 2010

ABSTRACTGeneral momentum theory is used to study the behaviour of the ‘classical’ free vortex wake model of Joukowsky. This model has recently attained considerable attention as it shows the possibility of achieving a power performance that greatly exceeds the Lanchester‐Betz limit for rotors running at low tip speed ratios. This behaviour is confirmed even when including the effect of a centre vortex, allowing azimuthal velocities and the associated radial pressure gradient to be taken into account in the axial momentum balance without any simplifying assumptions. It is shown that the most likely explanation for the anomalous behaviour at small tip speed ratios is that the influence of the lateral component of pressure and friction is neglected in the axial momentum theorem. A refined model is proposed that remedies the problem of using the axial momentum theorem and by which the power coefficient never exceeds the Lanchester‐Betz limit and which tends to zero at zero tip speed ratio. Copyright © 2010 John Wiley & Sons, Ltd.