bluuebunny/crossref_metadata_2025_split huggingface dataset:
TEM analysis of (Ni,Fe)Si2 precipitates in Si
Authors: Langkau Sabine , Wagner Gerald , Kloess Gert , Heuer Matthias 
Published: June 2010

AbstractThe present article provides evidence that Fe impurity atoms in silicon can be gathered by NiSi2 precipitates at temperatures near RT via solid‐state diffusion. Mixtures of silicon and silicide grains, resulting from annealing at 800–900 °C, were analysed. High supersaturation (about 1019–1020 atoms/cm3) of metal impurities in Si was achieved locally by incorporation of nickel and iron atoms from silicide grains into silicon grains during ion milling for TEM specimen preparation. Consequently, particles with local densities of 1013–1014 precipitates/cm3 and average volumes of 10−18–10−16 cm3 formed via diffusion and precipitation. Precipitates with an irregular octahedra shape and platelet‐like habit were found at dislocations. Less frequently, precipitates with a regular octahedra shape were observed in undisturbed matrix. HRTEM images and SAD patterns demonstrate that all precipitates have NiSi2 structure. Ni contents were detected for all precipitates by EDX analysis, but accumulated amounts of Fe could only be proven for some precipitates at dislocations. Quantitative EDX‐analysis revealed Fe/(Fe + Ni) ratios between 16 and 30 at% for these ternary precipitates.
Parasitic resistance analysis of pseudovertical structure diamond Schottky barrier diode
Authors: Kumaresan R. , Umezawa H. , Shikata S. 
Published: June 2010

AbstractDiamond Schottky barrier diodes (SBDs) in pseudovertical configuration were fabricated and analysed. Temperature and diode size dependence analysis of forward I–V characteristics showed an increase in current with increasing diode size, and temperature, along with a decrease in device series‐resistance (RS). It was revealed that device RS consisted of two major factors: primarily significant resistance arising from p+ layer [$R_{({\rm p}^{ + } )} $], and the other from p− layer [$R_{({\rm p}^{ - } )} $]. High temperature characteristics of SBDs in varying size exhibited a saturating limitation in the increase of forward current with increasing diode size, because the decrease in device series resistance (RS) is mainly by $R_{({\rm p}^{ - } )} $ part, whereas $R_{({\rm p}^{ + } )} $ is same irrespective of diode size, and forms to be parasitic resistance of device structure. Curve fitting analysis of experimental RS with our proposed model for $R_{({\rm p}^{ + } )} $ of varying p+ layer thickness revealed that, parasitic resistance originating from p+ layer can be decreased by increasing its thickness, towards achieving high current transport.
Noncatalytic synthesis of carbon‐nitride nanocolumns by dc magnetron sputtering
Authors: Shalaev R. V. , Ulyanov A. N. , Prudnikov A. M. , Shin G. M. , Yoo S. I. , Varyukhin V. N. 
Published: June 2010

AbstractCarbon‐nitride nanocolumns were produced without catalyst metal by dc magnetron sputtering of a graphite target in pure N2 gas at pressure of 26.0 Pa on a quartz glass substrate kept at ∼200 °C. The nitrogen/carbon ratio in nanocolumns equals 0.18. Scanning electron microscopy shows that films represent dense nanostructure with columns ∼70–80 nm in diameter. The main fraction of the nitrogen is sp2‐coordinated by carbon and enters into the graphene layers as substitutional atoms; the other fraction of the nitrogen facilitates a cross‐linking between the graphene layers through sp3‐coordinated carbon.
Influence of bias voltage on the structure and deposition mechanism of diamond‐like carbon films produced by RF (13.56 MHz) CH4 plasma
Authors: Ouchabane M. , Salah H. , Herrmann M. , Tabet N. , Henda K. , Touchrift B. , Kechouane M. 
Published: June 2010

AbstractPlasma enhanced chemical vapour deposition technique (PECVD) was used to grow diamond‐like carbon films using pure methane gas plasma. Structural, optical and mechanical properties of the obtained a‐C:H films were investigated as a function of bias voltage in the range 120–270 V, using different techniques. Elastic recoil detection analysis (ERDA) was employed to determine the hydrogen content and Fourier transform infrared spectroscopy (FTIR) was used to analyse the absorption of optically active hydrogen in the deposited films. The relative concentrations of sp2 and sp3 groups were determined from fitting of both X‐ray photoelectron spectroscopy (XPS) and FTIR spectra. Mechanical hardness and optical transmission were determined using nanoindentation and spectrophotometry, respectively. The results showed that the structure and properties of the films formed strongly depended on the applied bias voltage. In the range of energy considered the growth of the films was governed by a competition between both chemical and physical processes, with a dominance of physical process (subplantation) above 240 V, the energy at which more than 90% sp3 hybridization was obtained. Nanoindentation tests revealed hardness and Young's modulus of the films ranging from 12–15 and 116–155 GPa, respectively. The optical gap values deduced from the optical transmission spectra varied between 1.13 and 1.60 eV.
Analysis of the multistage phase separation reaction in Fe–25 at%Co–9 at%Mo
Authors: Eidenberger Elisabeth , Schober Michael , Schmoelzer Thomas , Stergar Erich , Staron Peter , Leitner Harald , Clemens Helmut 
Published: June 2010

AbstractDifferential scanning calorimetry (DSC) has been used to characterize the phase reactions during age hardening of a Fe–25 at%Co–9 at%Mo alloy. The heat of reaction which can be accounted for the development of the hardening phase was further analyzed on the basis of the Kissinger method and a fit based on the JMA model. Additionally, the precipitation sequence was studied byin situsmall‐angle neutron scattering (SANS) as well asin situX‐ray diffraction (XRD) to gain knowledge on the chemistry and crystallography of the prevailing phases. As direct imaging techniques 3D atom probe (3DAP) and high‐resolution transmission electron microscopy (HRTEM) were used. The combination of these methods revealed that hardening in the investigated alloy starts with spinodally formed Mo‐rich clusters followed by precipitation of the intermetallic µ‐phase (Fe,Co)7Mo6.
Density functional theory study of the structure and energetics of negatively charged oligopyrroles
Authors: Dai Yafei , Chowdhury Sugata , Blaisten‐Barojas Estela 
Published: June 2010

AbstractFirst‐principles calculations are used to investigate the electronic properties of negatively charged n‐pyrrole oligomers with n = 2–18. Chains of neutral oligomers are bent, whereas the negatively charged oligomers become almost planar due to accumulation of negative charge at the end monomers. Isomers of short oligomers (n < 6) display negative electron affinity although the corresponding anions are energetically stable. For longer oligomers with n ≥ 6, the electron affinity is small and positive, slowly increasing with oligopyrrole length. Doping of 12‐pyrrole with lithium atoms shows that negative oxidation states are possible due to electron transfer from dopant to oligomer at locations close to dopant. These 12‐pyrrole regions support extra negative charge and exhibit a local structural change from benzenoid to quinoid structure in the CC backbone conjugation. Comparison between neutral and doped polypyrrole (PPy) indicates that doped polymers displays a substantial depletion of the band gap energy and the appearance of dopant‐based bands in the gap for a 50% per monomer doping level. It is predicted that Li‐doped PPy is not metallic. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Solvent polarity and dopant effect on the electronic structure of the emeraldine salt
Authors: Romanova Julia , Madjarova Galia , Tadjer Alia , Gospodinova Natalia 
Published: June 2010

AbstractQuantum mechanical simulations of a variety of inorganic and organic emeraldine salts (doping agents HCl, HBr, H2SO4, MSA, BSA, and CSA) in bipolaron and polaron form with account of solvents of different polarity (chloroform, m‐cresol, and water) are reported for the first time. The models are based on tetramers, and the calculations are performed with the DFT method. The polarizable continuum model is used for the treatment of solute–solvent interaction. The effect of the different dopants and polarity of the solvents on the electronic structure and properties of the salts is evaluated and interpreted from the standpoint of the available experimental data. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Quantum‐chemical‐aided design of copolymers with tailored bandgaps and effective masses: The role of composition
Authors: Gil‐bernal Hernan , Zambrano Martha L. , Arce Julio C. 
Published: June 2010

AbstractExtending a key observation made by Meyers et al. (Meyers et al., J Chem Phys, 1992, 97, 2750), a strategy for the systematic design of conducting polymers with tailor‐made bandgaps and carrier effective masses is described and quantum‐chemically implemented. Such strategy relies on the construction of alternating binary copolymers from well‐characterized parent polymers, in such a manner that those electronic parameters can be phenomenologically predicted from the composition of the copolymer. Illustrative calculations for three types of alternating copolymers built from five parent π‐conjugated polymers demonstrate the plausibility of the methodology and the internal consistency of its computational implementation. Specifically, it is shown that the bandgaps of copolymers built from parent monomers with similar chemical structures exhibit nearly linear behaviors as functions of composition, whereas the bandgaps of copolymers with dissimilar parent monomers exhibit nearly monotonic deviations from linearity. On the other hand, the electron and hole effective masses of copolymers with similar parent monomers do not show a significant dependence on composition, whereas for copolymers with dissimilar parent monomers these quantities also display nearly monotonic deviations from linearity. A qualitative rationalization of these trends in terms of the strengths of the inter‐parent–monomer interactions, which bears an intriguing resemblance to the behavior of the vapor pressure of binary solutions, is provided. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem 110:2522–2531, 2010
Quantitative structure property relationships to evaluate the photosensitizing capability in porphyrins and chlorins
Authors: Cárdenas‐Jirón Gloria I. , Santander‐Nelli Mireya , López Ramón , Menéndez María Isabel 
Published: June 2010

AbstractThe wavelength of the Q band (λQ) of sixteen compounds (porphyrins and chlorins) was related to eight descriptors (aromatic, electrostatic, and reactivity ones) by using quantitative structure property relationships (QSPR). These descriptors were calculated using density functional theory (DFT). No single linear regressions were found. So, our work demonstrates that λQ does not depend on a unique property; rather it is a multidimensional parameter. From twelve QSPR models obtained, four of them yielded regression coefficients over 0.8. In addition, the λQ values resulting from our QSPR models are closer to experiment than time dependent‐DFT calculated ones. It has been proved the power of QSPR models to reproduce and predict the λQ values for new porphyrin derivatives with potential capability to be used in Photodynamic Therapy. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
An ab initio quantum chemical characterization of structure and vibrational spectra of anthranilic acid
Authors: Maciel Bruna C. M. , Chaudhuri Puspitapallab 
Published: June 2010

AbstractHigh‐level ab initio methods are used to analyze the electronic structure and vibrational spectra of the anthranilic acid or ortho‐aminobenzoic acid (o‐Abz), both in gas phase and aqueous solution. The geometries of the stationary points for the two lowest energy conformations (I and II) of o‐Abz are optimized at the MP2/6‐31++G** and MP2/aug‐cc‐pVDZ levels of theory. Conformation I is found to be more stable, less polar but more polarizable than conformation II. The same levels of calculation are used to obtain the harmonic vibrational frequencies. Polarizable continuum model method is used later to study the solvent effect on the structure and vibrational spectra of o‐Abz. Several electronic, electric, and thermodynamical properties are calculated and compared with the available experimental results and other theoretical calculations. The aqueous solution produces red‐shift for most of the vibrational frequencies but increases the intensity of vibrations for all modes of vibration of o‐Abz. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Theoretical study of the GemSin (m + n = 3) clusters
Authors: Ueno Leonardo T. , Kiohara Valéria O. , Ferrão Luiz F. A. , Marim Luiz R. , Roberto‐Neto Orlando , Machado Francisco B. C. 
Published: June 2010

AbstractThe main objective of this study consists in providing reliable structures, harmonic vibrational frequencies, and relative electronic energies of Si3, GeSi2, Ge2Si, and Ge3 clusters using DFT, CCSD(T), CASSCF, and MP2 methods and extended basis sets. The CCSD(T) results are extrapolation to the complete basis set (CBS) limit. For Si3 cluster, the ground‐state is a singlet (1A1) and the lowest lying electronic state is triplet state (
$ ^{3}{\rm A}^{\prime}_{2}$) separated by 0.44 kcal mol−1 at the CCSD(T)/(CBS) limit. The ground‐states of GeSi2, Ge2Si, and Ge3 clusters are also singlet state with triplet states very close energetically. Computed equilibrium geometries and vibrational frequencies are compared with previous theoretical and experimental data. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Tracking the Footprints Puzzle: The problematic persistence of science‐as‐process in teaching the nature and culture of science
Authors: Ault Charles R. , Dodick Jeff 
Published: June 2010

AbstractFor many decades, science educators have asked, “In what ways should learning the content of traditional subjects serve as the means to more general ends, such as understanding the nature of science or the processes of scientific inquiry?” Acceptance of these ends reduces the role of disciplinary context; the “Footprints Puzzle” and Oregon's “Inquiry Scoring Guide” illustrate this point. In the Footprints Puzzle, students are challenged to distinguish observations from inferences to learn about the nature of science or the culture of science. Oregon's Inquiry Scoring Guide separates content knowledge from inquiry skills. Given long‐standing discredit of “the” scientific method, modern views emphasize the diversity of inquiry methods and explanatory ideals across disciplines. Paleontologists, for example, reconstruct the behavior of extinct beasts from fossil footprints using methods of inquiry responsive to this aim. Figuring out dinosaur locomotion depends upon making analogies to the limb structure and behavior of extant species. The history of the Footprints Puzzle demonstrates that an enduring adherence to “a process approach” obscures how conceptualization intertwines with methodology. A discipline's concepts themselves, such as “extinction” and “geologic time,” function as tools of inquiry in distinctive and productive ways. © 2010 Wiley Periodicals, Inc. Sci Ed 94:1092–1122, 2010
Sustainable development: a role for market information systems for non‐timber forest products
Authors: Yadav Manmohan , Misra Shekhar 
Published: June 2010

AbstractThe extraction and exploitation of non‐timber forest products (NTFP) has been one of the major causes of the degradation of forests in developing countries like India. The highly unorganized and secretive nature of intermediary operations leads to market imperfections that are usually to the disadvantage of the collectors and cultivators. This often leads to destructive and unsustainable harvesting techniques. We provide a possible solution based on a market information system (MIS) that can help to remove market imperfections by providing information related to demand and supply to collectors and cultivators. This can be helpful in promoting sustainable harvesting and also to policy‐makers and implementation agencies. A conceptual framework related to an MIS for medicinal and aromatic plants, a subset of NTFPs, is presented. The development of such MISs can not only help to reduce unsustainable harvesting techniques but also to improve the economic condition of some of the poorest people. Copyright © 2010 John Wiley & Sons, Ltd and ERP Environment.
Public participation in development of small infrastructure projects
Authors: Rojanamon Pannathat , Chaisomphob Taweep , Bureekul Thawilwadee 
Published: June 2010

ABSTRACTThis article presents the benefits of public participation concerning social and environmental impacts in the development of an infrastructure project. A small hydropower project, which is situated in the Nan Province, Thailand, is selected as a case study. In this study, the public participation process comprised an interview questionnaire survey and a focus group discussion; 1550 questionnaires were used to collect the opinion of local people and stakeholders regarding the project's development. Citizen dialogue and focus group discussions were conducted to provide information and to collect details of the public's opinions, concerns, and needs. The results from the questionnaires were analyzed statistically and then illustrated on maps using the Geographic Information System technique. The results from the citizens' dialogue and the focus group discussion show the benefit of giving project information to local people and bringing the needs of all groups into consideration in planning, decision‐making, and the implementation of the project. Copyright © 2010 John Wiley & Sons, Ltd and ERP Environment.
Mediation of tropical forest interests through empowerment to locals by means of ecological indicators
Authors: Hermansen John Eilif 
Published: June 2010

AbstractGlobalization and global concerns for tropical moist forests have a strong impact on the ability of local, indigenous people who live either in or close to the forest and depend upon the quality of the ecosystem resources that the forest provides for the vital necessities of their daily life. This paper explores how tension between global and local interests arises. It investigates differences in the acquisition of knowledge about the forest ecosystem and suggests ways to mediate and negotiate between the interested parties. Catchment forest management at Mount Kilimanjaro, Tanzania is the reference case for this research. Methodologically, there are challenges connected to the different positions expressed in a ‘locals – globals’ discussion about forest ecosystem services and sustainability. Within this setting, the paper argues for an ecological mediation between locals and globals based on an actor‐network and stakeholder approach. In the conclusion, the paper suggests a framework for ecological methods, where ecological semantics can be a mediator between nature (ecology) and culture (society) to evolve a common understanding for environmental sustainability and valuation of ecosystem services. From this, another framework for mediating ecological indicators is developed to keep the elements of local versus global interest, nature versus society and epistemology versus ontology together in one system. Copyright © 2010 John Wiley & Sons, Ltd and ERP Environment.
Procrustes methods
Authors: Gower John C. 
Published: June 2010

AbstractThe basic Procrustes problem is to transform a matrix to in order to match a target matrix . Matching necessitates that and have the same number of rows identified with the same entities but the columns are unrestricted in type and number. Special cases discussed are when T is an orthogonal, projection, or direction‐cosine matrix. Sometimes, both matrices are transformed and size parameters referring to isotropic and various forms of anisotropic scaling may be incorporated. Procrustes methods may be generalized to cover K transformed matrices , in which case their average (the group average) is important. Applications are in shape analysis, image analysis, psychometrics etc. Copyright © 2010 John Wiley & Sons, Inc.This article is categorized under:

Statistical and Graphical Methods of Data Analysis > Multivariate Analysis
Statistical and Graphical Methods of Data Analysis > Dimension Reduction
ChineseTongas British Trust: Institutional Collisions and Legal Disputes in Urban Hong Kong, 1860s–1980s
Authors: CHUNG STEPHANIE PO-YIN 
Published: June 2010

AbstractBy the nineteenth century, with the advance of British colonial activities, British corporate laws had been transplanted to maritime Asia with varying degrees of vigour. In British Hong Kong, these laws often clashed with native customs. Through a reconstruction of the legal disputes found in urban Hong Kong, this paper discusses how British and Chinese business traditions interacted with each other during the late nineteenth and early twentieth centuries. Before assessing the historical implications and consequences of these legal decisions, this paper will also explore whether the Chinese institution oftongis compatible with British law in urban Hong Kong.
Default knowledge, time pressure, and the theory-theory of concepts
Authors: Blanchard Thomas 
Published: June 2010

AbstractI raise two issues for Machery's discussion and interpretation of the theory-theory. First, I raise an objection against Machery's claim that theory-theorists take theories to be default bodies of knowledge. Second, I argue that theory-theorists' experimental results do not support Machery's contention that default bodies of knowledge include theories used in their own proprietary kind of categorization process.
Carving nature at its joints using a knife called concepts
Authors: Couchman Justin J. , Boomer Joseph , Coutinho Mariana V. C. , Smith J. David 
Published: June 2010

AbstractThat humans can categorize in different ways does not imply that there are qualitatively distinct underlying natural kinds or that the field of concepts splinters. Rather, it implies that the unitary goal of forming concepts is important enough that it receives redundant expression in cognition. Categorization science focuses on commonalities involved in concept learning. Eliminating “concept” makes this more difficult.
An additional heterogeneity hypothesis
Authors: Dove Guy 
Published: June 2010

AbstractIn this commentary, I make three points concerning Machery's response to neo-empiricism. First, his methodological critique fails to remove the threat that neo-empiricism poses to his conceptual eliminativism. Second, evidence suggests that there are multiple semantic codes, some of which are not perceptually based. Third, this representational heterogeneity thwarts neo-empiricism but also raises questions with respect to how we should “do without concepts.”
The faux, fake, forged, false, fabricated, and phony: Problems for the independence of similarity-based theories of concepts
Authors: Jacobson Anne J. 
Published: June 2010

AbstractSome things in our environment are not what they seem, and they provide a challenge to theories of concepts that emphasize similarity. Section 1 of my commentary explores a dilemma this situation creates for Machery. Section 2 describes a more general problem for prototype and exemplar theories. Section 3 locates a place for similarity-based concepts, and indicates an alternative to Machery's thesis.
The function and representation of concepts
Authors: Khemlani Sangeet S. , Goodwin Geoffrey 
Published: June 2010

AbstractMachery has usefully organized the vast heterogeneity in conceptual representation. However, we believe his argument is too narrow in tacitly assuming that concepts are comprised of only prototypes, exemplars, and theories, and also that its eliminative aspect is too strong. We examine two exceptions to Machery's representational taxonomy before considering whether doing without concepts is a good idea.