30 resultados para 250600 Theoretical and Computational Chemistry
Resumo:
In this editorial, the authors respond to the 2011 article in the Journal of Management by Becker, Cropanzano, and Sanfey, titled “Organizational Neuroscience: Taking Organizational Theory Inside the Neural Black Box.” More specifically, the authors build on the ideas of Becker et al. first to clarify and extend their work and then to explore the critical philosophical issues involved in drawing inferences from neuroscientific research. They argue that these problems are yet to be solved and that organizational researchers who wish to incorporate neuroscientific advances into their work need to engage with them.
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From a Social Identity Theory perspective, organisational identification arises through a cognitive process of self-categorisation. As a consequence a person need not have a formal relationship with an organisation in order to identify with it. In this conceptual paper, the authors draw on this proposal to argue that future members are capable of identifying with an organisation prior to entry, and that this initial pre-entry identification could contribute to a person’s subsequent post-entry organisational identification. The paper further suggests that because no distinction need be drawn between organisational identification in current and future members, we might expect to find the same antecedents of identification in both instances. The group engagement model (Tyler and Blader 2003) is called on to propose that when a future member experiences pride in, and respect from, an organisation before they join, this should positively influence their pre-entry organisational identification. The authors explore the managerial implications of these propositions, and argue that an organisation’s actions and practices that have been shown to influence a post-entry organisational identification should have an equivalent impact on future members’ organisational identification when observed during the pre-entry period. Two examples of such practices, organisational support and organisational communication, are used to illustrate this suggestion and a number of ways are discussed through which these practices may be experienced by a person before they join an organisation.
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There is nothing more difficult to plan, more Doubtful of success, nor more dangerous to manage Than the creation of a new system. For the initiator has the enmity of all who would Profit by the preservation of the old system, and Merely lukewarm defenders in those who should gain By the new one. N. Machiavelli (1513) Abstract: The purpose of this paper is twofold. First, we want to challenge the notion of "human capital" as "education, training and work experience" and suggest that it is the "quality of the workforce" that matters, here defined as the set of characteristics that allow workers to function in a specific institutional and historical context. Our main conclusion is that the quality of the workforce is affected by the institutional environment where the workers live and that therefore it can vary across countries and institutional contexts. Second, we want to show the empirical relevance of this last point by testing the extent to which the quality of institutions (here proxied by the governance indicators of Kaufmann etal. (2007)) can affect the quality of the workforce (proxied by the percentage of the working age population registered in a lifelong learning program). Our empirical analysis is conducted on a data-set of 11 European countries observed over the period 1996-2006. The results indicate that countries with better governance indicators are also endowed with a more qualified workforce. © 2011 American Journal of Economics and Sociology, Inc.
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We have theoretically and experimentally investigated the dual-peak feature of tilted fiber gratings with excessively tilted structure (named as Ex-TFGs). We have explained the dual-peak feature by solving eigenvalue equations for TM0m and TE0m of a circular waveguide, in which the TE (transverse electric) and TM (transverse magnetic) core modes are coupled into TE and TM cladding modes, respectively. Meanwhile, in the experiment, we have verified that one of the dual peaks at the shorter wavelength is due to the TM mode coupling whereas the other one at the longer wavelength arises from TE mode coupling when a linearly polarized light launched into the Ex-TFG. We have also investigated the peak separation of TE and TM cladding mode for different surrounding medium refractive indexes (SRI), revealed that the dual peaks separation is decreasing as increasing of SRI, which agrees very well with the theoretical analysis results.
Resumo:
The central proposition of this thesis is that there are key benefits to examining leadership perceptions as an attitude towards the leader. In particular, it is argued that doing so can provide an enhanced understanding of leadership perceptions and therefore advance theory in this area. To provide empirical support for this theoretcial integration, the current research focused on one of the most popular leadership theories, leader-member exchange (LMX), and demonstrated how the concept of attitude strength could advance understanding of how and when LMX influenced employee job performance. Although the measurement of LMX requires employees to provide a cognitive evaluation of their relationship with their leader, previous research has, to date, not considered this evaluation to be an attitude. This thesis provides a justification for doing so and develops two novel constructs: LMX importance and LMX ambivalence. Both of these variables are argued to represent previously unconsidered facets of the LMX relationship, which, according to attitude theory, provide a more multifaceted understanding of leadership perceptions than previously envisaged. Such an understanding can provide a more detailed understanding of how such perceptions influence outcomes. Two studies provided an empirical test of the above reasoning. Study 1, a longitudinal field study, demonstrated initial support for many of the hypotheses. LMX amivalence was shown to lead to poorer task performance and organisational citizenship behaviour, mediated by the experience of negative affect. Evidence was also found for the moderating effect of LMX importance, although felt obligations was not found to mediate this moderated effect. While Study 1 used project groups as its participants, Study 2 provided a first test of the construct in an organisational setting; with three companies proving data. Again, strong support was found for the negative effects of LMX ambivalence on employee outcomes, with evidence also found for the role of perceived organisational support in mitigating these negative effects. Support was also found for the moderated mediation hypothesis related to LMX importance, although this was only found in the largest organisation sample. Some of the main theoretical and methodological implications of viewing leadership perceptions as attitudes to the wider leadership area were discussed. The cross-fertilisation of research from the attitudes literature to understanding leadership perceptions provides new insights into leadership processes and potential avenues for further research.
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Secondary pyrolysis in fluidized bed fast pyrolysis of biomass is the focus of this work. A novel computational fluid dynamics (CFD) model coupled with a comprehensive chemistry scheme (134 species and 4169 reactions, in CHEMKIN format) has been developed to investigate this complex phenomenon. Previous results from a transient three-dimensional model of primary pyrolysis were used for the source terms of primary products in this model. A parametric study of reaction atmospheres (H2O, N2, H2, CO2, CO) has been performed. For the N2 and H2O atmosphere, results of the model compared favorably to experimentally obtained yields after the temperature was adjusted to a value higher than that used in experiments. One notable deviation versus experiments is pyrolytic water yield and yield of higher hydrocarbons. The model suggests a not overly strong impact of the reaction atmosphere. However, both chemical and physical effects were observed. Most notably, effects could be seen on the yield of various compounds, temperature profile throughout the reactor system, residence time, radical concentration, and turbulent intensity. At the investigated temperature (873 K), turbulent intensity appeared to have the strongest influence on liquid yield. With the aid of acceleration techniques, most importantly dimension reduction, chemistry agglomeration, and in-situ tabulation, a converged solution could be obtained within a reasonable time (∼30 h). As such, a new potentially useful method has been suggested for numerical analysis of fast pyrolysis.
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Yorick Wilks is a central figure in the fields of Natural Language Processing and Artificial Intelligence. His influence extends to many areas and includes contributions to Machines Translation, word sense disambiguation, dialogue modeling and Information Extraction. This book celebrates the work of Yorick Wilks in the form of a selection of his papers which are intended to reflect the range and depth of his work. The volume accompanies a Festschrift which celebrates his contribution to the fields of Computational Linguistics and Artificial Intelligence. The papers include early work carried out at Cambridge University, descriptions of groundbreaking work on Machine Translation and Preference Semantics as well as more recent works on belief modeling and computational semantics. The selected papers reflect Yorick’s contribution to both practical and theoretical aspects of automatic language processing.
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This thesis presents an investigation, of synchronisation and causality, motivated by problems in computational neuroscience. The thesis addresses both theoretical and practical signal processing issues regarding the estimation of interdependence from a set of multivariate data generated by a complex underlying dynamical system. This topic is driven by a series of problems in neuroscience, which represents the principal background motive behind the material in this work. The underlying system is the human brain and the generative process of the data is based on modern electromagnetic neuroimaging methods . In this thesis, the underlying functional of the brain mechanisms are derived from the recent mathematical formalism of dynamical systems in complex networks. This is justified principally on the grounds of the complex hierarchical and multiscale nature of the brain and it offers new methods of analysis to model its emergent phenomena. A fundamental approach to study the neural activity is to investigate the connectivity pattern developed by the brain’s complex network. Three types of connectivity are important to study: 1) anatomical connectivity refering to the physical links forming the topology of the brain network; 2) effective connectivity concerning with the way the neural elements communicate with each other using the brain’s anatomical structure, through phenomena of synchronisation and information transfer; 3) functional connectivity, presenting an epistemic concept which alludes to the interdependence between data measured from the brain network. The main contribution of this thesis is to present, apply and discuss novel algorithms of functional connectivities, which are designed to extract different specific aspects of interaction between the underlying generators of the data. Firstly, a univariate statistic is developed to allow for indirect assessment of synchronisation in the local network from a single time series. This approach is useful in inferring the coupling as in a local cortical area as observed by a single measurement electrode. Secondly, different existing methods of phase synchronisation are considered from the perspective of experimental data analysis and inference of coupling from observed data. These methods are designed to address the estimation of medium to long range connectivity and their differences are particularly relevant in the context of volume conduction, that is known to produce spurious detections of connectivity. Finally, an asymmetric temporal metric is introduced in order to detect the direction of the coupling between different regions of the brain. The method developed in this thesis is based on a machine learning extensions of the well known concept of Granger causality. The thesis discussion is developed alongside examples of synthetic and experimental real data. The synthetic data are simulations of complex dynamical systems with the intention to mimic the behaviour of simple cortical neural assemblies. They are helpful to test the techniques developed in this thesis. The real datasets are provided to illustrate the problem of brain connectivity in the case of important neurological disorders such as Epilepsy and Parkinson’s disease. The methods of functional connectivity in this thesis are applied to intracranial EEG recordings in order to extract features, which characterize underlying spatiotemporal dynamics before during and after an epileptic seizure and predict seizure location and onset prior to conventional electrographic signs. The methodology is also applied to a MEG dataset containing healthy, Parkinson’s and dementia subjects with the scope of distinguishing patterns of pathological from physiological connectivity.
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This thesis presents details on both theoretical and experimental aspects of UV written fibre gratings. The main body of the thesis deals with the design, fabrication and testing of telecommunication optical fibre grating devices, but also an accurate theoretical analysis of intra-core fibre gratings is presented. Since more than a decade, fibre gratings have been extensively used in the telecommunication field (as filters, dispersion compensators, and add/drop multiplexers for instance). Gratings for telecommunication should conform to very high fabrication standards as the presence of any imperfection raises the noise level in the transmission system compromising its ability of transmitting intelligible sequence of bits to the receiver. Strong side lobes suppression and high and sharp reflection profile are then necessary characteristics. A fundamental part of the theoretical and experimental work reported in this thesis is about apodisation. The physical principle of apodisation is introduced and a number of apodisation techniques, experimental results and numerical optimisation of the shading functions and all the practical parameters involved in the fabrication are detailed. The measurement of chromatic dispersion in fibres and FBGs is detailed and an estimation of its accuracy is given. An overview on the possible methods that can be implemented for the fabrication of tunable fibre gratings is given before detailing a new dispersion compensator device based on the action of a distributed strain onto a linearly chirped FBG. It is shown that tuning of second and third order dispersion of the grating can be obtained by the use of a specially designed multipoint bending rig. Experiments on the recompression of optical pulses travelling long distances are detailed for 10 Gb/s and 40 Gb/s. The characterisation of a new kind of double section LPG fabricated on a metal-clad coated fibre is reported. The fabrication of the device is made easier by directly writing the grating through the metal coating. This device may be used to overcome the recoating problems associated with standard LPGs written in step-index fibre. Also, it can be used as a sensor for simultaneous measurements of temperature and surrounding medium refractive index.
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Large-scale massively parallel molecular dynamics (MD) simulations of the human class I major histo-compatibility complex (MHC) protein HLA-A*0201 bound to a decameric tumor-specific antigenic peptide GVY-DGREHTV were performed using a scalable MD code on high-performance computing platforms. Such computational capabilities put us in reach of simulations of various scales and complexities. The supercomputing resources available Large-scale massively parallel molecular dynamics (MD) simulations of the human class I major histocompatibility complex (MHC) protein HLA-A*0201 bound to a decameric tumor-specific antigenic peptide GVYDGREHTV were performed using a scalable MD code on high-performance computing platforms. Such computational capabilities put us in reach of simulations of various scales and complexities. The supercomputing resources available for this study allow us to compare directly differences in the behavior of very large molecular models; in this case, the entire extracellular portion of the peptide–MHC complex vs. the isolated peptide binding domain. Comparison of the results from the partial and the whole system simulations indicates that the peptide is less tightly bound in the partial system than in the whole system. From a detailed study of conformations, solvent-accessible surface area, the nature of the water network structure, and the binding energies, we conclude that, when considering the conformation of the α1–α2 domain, the α3 and β2m domains cannot be neglected. © 2004 Wiley Periodicals, Inc. J Comput Chem 25: 1803–1813, 2004
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The performance of unrepeatered transmission of a seven Nyquist-spaced 10 GBd PDM-16QAM superchannel using full signal band coherent detection and multi-channel digital back propagation (MC-DBP) to mitigate nonlinear effects is analysed. For the first time in unrepeatered transmission, the performance of two amplification systems is investigated and directly compared in terms of achievable information rates (AIRs): 1) erbium-doped fibre amplifier (EDFA) and 2) second-order bidirectional Raman pumped amplification. The experiment is performed over different span lengths, demonstrating that, for an AIR of 6.8 bit/s/Hz, the Raman system enables an increase of 93 km (36 %) in span length. Further, at these distances, MC-DBP gives an improvement in AIR of 1 bit/s/Hz (to 7.8 bit/s/Hz) for both amplification schemes. The theoretical AIR gains for Raman and MC-DBP are shown to be preserved when considering low-density parity-check codes. Additionally, MC-DBP algorithms for both amplification schemes are compared in terms of performance and computational complexity. It is shown that to achieve the maximum MC-DBP gain, the Raman system requires approximately four times the computational complexity due to the distributed impact of fibre nonlinearity.
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The extant literature on workplace coaching is characterised by a lack of theoretical and empirical understanding regarding the effectiveness of coaching as a learning and development tool; the types of outcomes one can expect from coaching; the tools that can be used to measure coaching outcomes; the underlying processes that explain why and how coaching works and the factors that may impact on coaching effectiveness. This thesis sought to address these substantial gaps in the literature with three linked studies. Firstly, a meta-analysis of workplace coaching effectiveness (k = 17), synthesizing the existing research was presented. A framework of coaching outcomes was developed and utilised to code the studies. Analysis indicated that coaching had positive effects on all outcomes. Next, the framework of outcomes was utilised as the deductive start-point to the development of the scale measuring perceived coaching effectiveness. Utilising a multi-stage approach (n = 201), the analysis indicated that perceived coaching effectiveness may be organised into a six factor structure: career clarity; team performance; work well-being; performance; planning and organizing and personal effectiveness and adaptability. The final study was a longitudinal field experiment to test a theoretical model of individual differences and coaching effectiveness developed in this thesis. An organizational sample of 84 employees each participated in a coaching intervention, completed self-report surveys, and had their job performance rated by peers, direct reports and supervisors (a total of 352 employees provided data on participant performance). The results demonstrate that compared to a control group, the coaching intervention generated a number of positive outcomes. The analysis indicated that coachees’ enthusiasm, intellect and orderliness influenced the impact of coaching on outcomes. Mediation analysis suggested that mastery goal orientation, performance goal orientation and approach motivation in the form of behavioural activation system (BAS) drive, were significant mediators between personality and outcomes. Overall, the findings of this thesis make an original contribution to the understanding of the types of outcomes that can be expected from coaching, and the magnitude of impact coaching has on outcomes. The thesis also provides a tool for reliably measuring coaching effectiveness and a theoretical model to understand the influence of coachee individual differences on coaching outcomes.
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This paper presents a theoretical model on the vibration analysis of micro scale fluid-loaded rectangular isotropic plates, based on the Lamb's assumption of fluid-structure interaction and the Rayleigh-Ritz energy method. An analytical solution for this model is proposed, which can be applied to most cases of boundary conditions. The dynamical experimental data of a series of microfabricated silicon plates are obtained using a base-excitation dynamic testing facility. The natural frequencies and mode shapes in the experimental results are in good agreement with the theoretical simulations for the lower order modes. The presented theoretical and experimental investigations on the vibration characteristics of the micro scale plates are of particular interest in the design of microplate based biosensing devices. Copyright © 2009 by ASME.