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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
21

Auditable And Verifiable Electronic Voting With Homomorphic Rsa Tallying

Yucel, Okan 01 July 2010 (has links) (PDF)
In this work, we investigate the general structure and the concepts behind the contemporary electronic voting schemes, with special emphasis on voter verifiable preferential voting, homomorphic tallying and voter privacy. We firstly propose a modification in the Single Transferable Voting (STV) method to be applied to large scale elections with electoral barriers. Our proposal prevents the loss of votes and distributes them securely to the second or higher choices of their voters. This method is most suitably used in e-voting with the voter verifiable &ldquo / Pr&ecirc / t &agrave / Voter: All-In-One&rdquo / scheme that utilizes mix-networks for anonymity. We present a case study considering 2007 Turkish Parliamentary Elections to demonstrate the effect of preferential voting on the election systems that have electoral barriers. After the mathematical formulation of the election procedure, we calculate the wasted votes in 2007 elections and present simulation results for 69 election regions (that have no independent parliament members) by using a combination of &ldquo / modified STV and d&rsquo / Hondt&rdquo / methods, according to four different, politically unbiased scenarios on the distribution of secondary vote choices. Additionally, we modify the &ldquo / Pr&ecirc / t &agrave / Voter: All-In-One&rdquo / scheme by proposing three security enhancing modifications in its ballot construction phase: 1) ballot serial number, 2) digital signature of the first clerk in the mix-net, 3) different random numbers for each row of the ballot. Finally, we demonstrate the potential of multiplicative homomorphic algorithms like RSA for homomorphic tallying. The idea is based on the association of each candidate on the electronic ballot with a prime number, and unique prime factorization of the general vote product. We propose novel randomization methods for homomorphic RSA tallying, and discuss the performance and complexity of the scheme with such randomizations. Our suggestion for an auditable and verifiable e-voting scheme that employs homomorphic RSA tallying with proper randomization has advantages over El Gamal and Paillier tallying, such as having the least encryption complexity and strong anonymity resistant to unlimited computational power.
22

Unravelling the Evolution of Allosteric Regulation in 3-Deoxy-D-arabino-heptulosonate 7-phosphate Synthase

Cross, Penelope Jane January 2012 (has links)
The enzyme 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase (DAH7PS) catalyses the first reaction in the shikimate pathway, leading to the biosynthesis of aromatic compounds including the aromatic amino acids. The catalytic activity of DAH7PS is regulated through feedback inhibition and is the major control point for the pathway. DAH7PSs are divided into two families, type I and type II, based on molecular weight and amino acid sequence. Type I DAH7PSs can be further divided based on sequence similarity. All DAH7PS enzymes with their crystal structures solved share a basic (β/α)₈-barrel fold in which the key catalytic components are housed. Furthermore, all structurally characterised DAH7PSs, except Pyrococcus furiosus DAH7PS (PfuDAH7PS) and Aeropyrum pernix DAH7PS, have recruited extra structural motifs that are implicated in allosteric regulation. However, there are significant differences in the additional structural elements. This thesis investigates the hypothesis that the diverse regulation strategies for controlling DAH7PS activity have evolved by domain recruitment, whereby regulatory domains have been added to the catalytic barrel. Chapter 2 describes the functional characterisation of the type Iβ Thermotoga maritima DAH7PS (TmaDAH7PS), and the exploration of its response to inhibitors. The catalytic activity of TmaDAH7PS was found to be substantially inhibited by tyrosine (Tyr) and to a lesser extent, phenylalanine (Phe). The putative regulatory domain previously identified as a ferredoxin-like domain was recognised as an aspartate kinase-chorismate-mutase-tyrA (prephenate dehydrogenase) or ACT domain. Chapter 3 describes the characterisation of TmaDAH7PS with the N-terminal domain removed. The truncated enzyme was found to be more catalytically active than wild-type TmaDAH7PS and insensitive to inhibition by the aromatic amino acids, Tyr, Phe and tryptophan. Apart from the truncation of the ACT domain, the crystal structure of truncTmaDAH7PS showed no major changes to the monomer structure when compared to wild-type TmaDAH7PS. However, truncTmaDAH7PS crystallises as a dimer, unlike wild-type TmaDAH7PS. In Chapter 4, the solution of the crystal structure of TmaDAH7PS with Tyr bound is presented. Tyr binding was shown to induce a significant conformational change, and Tyr is observed to bind at the interface between the ACT domains from two diagonally located monomers of the tetramer. The major reorganisation of the regulatory domain with respect to the barrel observed in the crystal structure, was confirmed by small angle X-ray scattering. The closed conformation adopted by the protein on Tyr binding physically gates the neighbouring barrel and blocks substrate entry into the active site. Chapter 5 explores the interactions between TmaDAH7PS and the allosteric inhibitor, Tyr. The residues His29 and Ser31, which form hydrogen bonds with the hydroxyl moiety of the Tyr ligand, were examined for their impact on the sensitivity and selectivity of the enzyme for the inhibitors Tyr and Phe. The hydroxyl side chain of Ser31 was found to be important for both the preferential inhibition by Tyr over Phe and the inhibitory mechanism. His29 (the hydrogen-bonding partner of Ser31) appears to play a secondary role in determining ligand selectivity and the relative positioning of these two residues is crucial to the inhibition of the enzyme. Chapter 6 evaluates the transferability of allosteric control of catalytic activity. The ACT domain of TmaDAH7PS was fused onto the barrel of the unregulated PfuDAH7PS. This chimeric enzyme was found to be catalytically active, inhibited by Tyr (although less sensitive) and preliminary crystallographic results show inhibition occurs via the same conformational change observed for wild-type TmaDAH7PS.
23

Electronically coarse grained molecular model of water

Cipcigan, Flaviu Serban January 2017 (has links)
Electronic coarse graining is a technique improving the predictive power of molecular dynamics simulations by representing electrons via a quantum harmonic oscillator. This construction, known as a Quantum Drude Oscillator, provides all molecular long-range responses by uniting many-body dispersion, polarisation and cross interactions to all orders. To demonstrate the predictive power of electronic coarse graining and provide insights into the physics of water, a molecular model of water based on Quantum Drude Oscillators is developed. The model is parametrised to the properties of an isolated molecule and a single cut through the dimer energy surface. Such a parametrisation makes the condensed phase properties of the model a prediction rather than a fitting target. These properties are studied in four environments via two-temperature adiabatic path integral molecular dynamics: a proton ordered ice, the liquid{vapour interface, supercritical and supercooled water. In all these environments, the model predicts a condensed phase in excellent agreement with experiment, showing impressive transferability. It predicts correct densities and pressures in liquid water from 220 K to 647 K, and a correct temperature of maximum density. Furthermore, it predicts the surface tension, the liquid-vapour critical point, density of ice II, and radial distribution functions across all conditions studied. The model also provides insight into the relationship between the molecular structure of water and its condensed phase properties. An asymmetry between donor and acceptor hydrogen bonds is identified as the molecular scale mechanism responsible for the surface orientation of water molecules. The dipole moment is identified as a molecular scale signature of liquid-like and gas-like regions in supercritical water. Finally, a link between the coordination number and the anomalous thermal expansion of the second coordination shell is also presented.
24

Reconnaissance de scénario par les Modèles de Markov Cachés Crédibilistes : Application à l'interprétation automatique de séquences vidéos médicales / Scenario recognition by evidentials hidden Markov models : Application for the automatic interpretation of medical video sequences

Ahouandjinou, Arnaud 16 December 2014 (has links)
Les travaux de recherche développés dans cette thèse concernent la mise en oeuvre d'un système de vidéo surveillance intelligente en milieu hospitalier. Dans le contexte d'une application en unité de soins intensifs médicale, nous introduisons la notion originale de Boite Noire Médicale et nous proposons un nouveau système de monitoring visuel de Détection Automatique de Situations à risque et d'Alerte (DASA) basé sur un système de vidéosurveillance multi-caméra intelligent. L'objectif étant d'interpréter les flux d'informations visuelles et de détecter en temps réel les situations à risque afin de prévenir l'équipe médicale et ensuite archiver les évènements dans une base de donnée vidéo qui représente la Boite Noire Médicale. Le système d'interprétation est basé sur des algorithmes de reconnaissance de scénarios qui exploitent les Modèles de Markovs Cachés (MMCs). Une extension du modèle MMC standard est proposé afin de gérer la structure hiérarchique interne des scénarios et de contrôler la durée de chaque état du modèle markovien. La contribution majeure de ce travail repose sur l'intégration d'un raisonnement de type évènementiel, pour gérer la décision de reconnaissance en tenant compte des imperfections des informations disponibles. Les techniques de reconnaissance de scénarios proposées ont été testées et évaluées sur une base de séquences vidéo médicales et comparés aux modèles de Markov cachés probabilistiques classiques. / This thesis focuses on the study and the implementation of an intelligent visual monitoring system in hospitals. In the context of an application for patient monitoring in mediacal intensive care unit, we introduce an original concept of the Medical Black Box and we propose a new system for visual monitoring of Automatic Detection of risk Situations and Alert (DASA) based on a CCTV system with network smart camera. The aim is to interpret the visual information flow and to detect at real-time risk situations to prevent the mediacl team and then archive the events in a video that is based Medical Black Box data. The interpretation system is based on scenario recognition algorithms that exploit the Hidden Markov Models (HMM). An extension of the classic model of HMM is proposed to handle the internal reporting structure of the scenarios and to control the duration of each state of the Markov model. The main contribution of this work relies on the integration of an evidential reasoning, in order to manage the recognition decision taking into account the imperfections of available information. The proposed scenarios recognition method have been tested and assessed on database of medical video sequences and compared to standard probabilistic Hidden Markov Models.
25

INTERNATIONAL INTERSHIP: A DIGITAL-GAME ASSESSMENT APPROACH TO MEASURING THE TRANSFORMATION OF EMPLOYABILITY SKILLS INTO BEHAVIORS

PREDOVIC, DOLLY 13 July 2021 (has links)
Vi è un ampio e diffuso consenso che suggerisce che il tirocinio (internship), come forma di apprendimento esperienziale, può essere uno strumento efficace per lo sviluppo delle competenze tecniche e trasferibili degli studenti e quindi come strumento di rafforzamento dell'occupabilità (employabiltiy) dei laureati. Numerosi studi hanno anche scoperto che le esperienze internazionali possono sviluppare le competenze più apprezzate dai datori di lavoro. Questa ricerca affronta una lacuna all'intersezione di questi due campi di studio. La maggior parte degli studi analizza le esperienze internazionali con un focus distintivo sull'aspetto internazionale e non sui diversi tipi di esperienze, ad es. studiare all’estero rispetto a fare un tirocinio (internship) all’estero. La domanda a cui questo studio si propone di rispondere è se il tirocinio (internship) e il contesto internazionale abbinati estendono l'esperienza di apprendimento oltre a quella sviluppata attraverso un tirocinio domestico da solo. Quando la progettazione di questo studio è stata inizialmente pianificata, è stato fatto un grande sforzo per identificare uno strumento per misurare l'occupabilità (employability) nel modo più obiettivo possibile. Le misurazioni basate sull’utilizzo di giochi digitali (digital game-based assessments) sono state identificate come lo strumento più appropriato per farlo in modo obiettivo. In questo studio i comportamenti che definiscono l’occupabilita’ (employability) degli studenti risultato in oltre 30 indicatori quantitativi. Questi indicatori convergono con le competenze trasferibili che sono state identificate come quelle richieste dal mercato del lavoro e ampiamente analizzate nella letteratura sull'occupabilità (employability). I dati per questo studio sono stati raccolti nel triennio 2017-19 e sono stati coinvolti un totale di 1315 studenti italiani. L'analisi fattoriale esplorativa ha esaminato la struttura alla base degli indicatori di occupabilità (employability) generati dalle valutazioni basate sul gioco digitale (digital game-based assessments). I risultati rivelano diversi temi significativi che contribuiscono ulteriormente alla conoscenza e comprensione di ciò che influenza l'occupabilità (employability) dei laureati. Il primo risultato che emerge dalle analisi di questo studio risponde alla domanda di ricerca. Quando un tirocinio (internship) si svolge all’estero, c'è un apprendimento esperienziale aggiuntivo dato dal contesto internazionale, che contribuisce ulteriormente all'apprendimento esperienziale e trasformativo già sviluppato attraverso un tirocinio (internship) domestico. Inoltre, risulta anche che questo elemento aggiuntivo sia associato a comportamenti di occupabilità (employability) legati a fattori cognitivi e non sociali. Ciò contrasta con gli studi precedenti sull'impatto delle esperienze internazionali, che generalmente associano questo tipo di esperienze allo sviluppo di competenze di tipo sociale e interpersonale. Questo studio rileva infine che quando sembra esserci una superiorità degli studenti maschi nei comportamenti di occupabilità (employability) legati dalle capacità cognitive, questa superiorità scompare quando associata a stage internazionali. / There is a large and widespread consensus suggesting that internships, as one form of experiential learning, can be an effective instrument for the development of students’ technical and transferable skills and therefore as enhancing graduate employability. Separately, studies have found that international experiences can develop the skills most valued by employers. This research addresses a gap at the intersection of these two fields of study. Most studies analyze international experiences with a distinctive focus on the international and not on the different types of experiences, e.g. study abroad versus internships. The question this study aims to answer is whether an internship and an international context combine to extend the learning experience beyond that developed through a domestic internship alone. When the design of this study was initially planned, much effort was put into identifying a tool to measure employability in the most objective way possible. Digital game-based assessments were identified as the most appropriate tool to do this objectively. Insights into behaviors in this study result in over 30 quantitative descriptors of employability, which converge with the lists of transferable skills that have been identified as those demanded by the labor market and extensively analyzed in the employability literature. The data for this study was collected over three years 2017-19, and a total of 1315 Italian students were involved. Exploratory factor analysis examined the structure underlying the employability descriptors generated by the digital game-based assessments. The findings reveal several significant themes that further contribute to our current knowledge and understanding of what influences graduates’ employability. The first finding answers the research question. When an internship takes place in a country different from that of the student’s home, there is additional experiential learning from the international context, which contributes further to the experiential and transformative learning already developed through the internship. It also appears that this additional element is associated with employability behaviors predicted by Cognitive and not Social factors. This contrasts with earlier studies on the impact of international experiences, which generally find that social and interpersonal skills are developed. This study also finds that when there appears to be a gender bias toward male students in employability behaviors predicted by cognitive abilities, this bias disappears when associated with international internships.
26

Game Theoretic and Analytical Approaches to International Cooperation and Investment Problems

Li, Qing 12 May 2001 (has links)
International cooperation and foreign investment issues are two important components of an international economy. The various aspects of research related to such international cooperation and foreign investment decisions are fraught with various complex factors. In this thesis, we consider two specific issues in the arena of international technological cooperation and foreign investments, by using established Operations Research techniques of game theory and multiple criteria decision making. We first analyze regional technological cooperation mechanisms using classical game theory. A concept of regional technological cooperation is developed based on a cooperative game theoretic model, in which a plan of payoff distributions induces an agreement that is acceptable to each participant. Under certain conditions, the underlying game is shown to be convex, and hence to have a nonempty core with the Shapley value allocations belonging to the core. A compensation scheme is devised based on the Shapley value allocations, whereby participants who enjoy a greater payoff with respect to the technological cooperation compensate the participants who receive a relatively lesser payoff via cooperation. In this manner, regional technological cooperation can bring overall benefits to all the involved players in the game. Some insightful examples are provided to illustrate the methodological concept. Next, we discuss a model for analyzing foreign direct investment opportunities and for evaluating related projects based on the International Investment Attracting Force Theory and the technology of fuzzy evaluation. This model is applied to assess the industrial investment projects that were proposed in the â â 95 China's Tumen River Area International Investment and Business Forumâ funded by the United Nations Industrial Development Organization. Accordingly, the projects are classified into groups based on their potential to attract foreign investors. Furthermore, we simulate the actual forming process whereby projects are sequenced and selected for funding by foreign investors based on a sequential update of their effect on the local economy. The results provide a scientific basis for formulating related decisions and policy recommendations regarding the various proposed projects. / Master of Science
27

土地使用分區管制制度之執行與制度變遷--財產權觀點之分析 / The Enforcement and Change of Zoning Institution in The Perspective of Property Rights

張剛維, Chang,Kangwei Unknown Date (has links)
財產權的發展,具有將外部成本內部化,以及減輕租值消散的功能,同時也會影響誘因機制與市場行為,因此,建立可執行的財產權或契約系統,有助於降低交易成本,促進市場交易的效率。土地使用分區管制是政府用以界定財產權的一項重要工具,但在執行的過程中,會受到資訊不完全的因素所限制,而產生許多社會經濟衝突的問題,所以,在財產權界定不完全的情形下,分區管制制度的執行可能是一種負和、零和或正和的賽局。 在台灣的都市規劃管制制度下,土地使用分區管制一直被視為政府執行都市公共政策的重要工具,但是土地使用分區管制制度變遷的原因及對財產權配置的影響,很少被深入的探討,亦少有相關的實證研究予以論述說明。由於分區管制決策直接影響人民的土地財產權範圍,因此,以財產權為研究的焦點,連結制度及執行層面的動態分析,可以更深入地了解政策運作的過程,檢視分區管制制度設計的問題,藉以提供更佳的制度環境。本研究嘗試以新制度經濟學的基礎,基於財產權的觀點,連結制度變遷及執行層面的分析,研究所有權人及利益團體如何透過與政府的協商,改變土地使用分區管制制度,進而影響財產權配置的問題。在方法上,則透過賽局理論及個案研究,建立參與者行為互動模式及進行實證分析,以剖析制度變遷的原因及問題。 本研究除了進行以上所述的議題,亦同時關注制度選擇、容積移轉的問題,以及違規使用的行為,並將從一系列的行為分析中,進一步探究尋租行為對分區管制制度及經濟發展的影響。研究的結果,除了對分區管制制度提出具體的建議外,亦對制度變遷的行為及政府角色,提供更多的認知面向,值得作為都市研究的參考。 / Zoning institution is regarded as an important instrument for enforcing urban policy in Taiwan. Zoning not only control the quality of urban environment, but affect the price of real estate. However, the reasons of zoning institution changed and the factors influenced the assignment of property rights are very rarely investigated. The decision of zoning will directly influence the scope of landowners’ property rights. Thus, based upon the viewpoint of property rights, incorporated with institutional and enforcing dimension to conduct a dynamic analysis can deeply investigate the process of policy operation and the problems of institutional design so as to provide better institutional environment for zoning. This research, based on the property rights perspective and the approach of property rights analysis of New Institutional Economics, intend to investigate the change of zoning institution and its enforcement. The study pays special attention to the bargaining among private landowners, interest groups and government authority. In order to improve the institutional environment, this paper will also try to find the institutional problems in the process of enforcement through cases study. Cases study is used for further analysis the interaction among the actors participated so as to understand the processes of bargaining, re-assignment of property rights and the reasons of zoning institution changed. After the cases study, the research will address some suggestions of institutional design of zoning and try to review the policy of urban development and land use control in Taipei city. A promise suggestion on the institutional design of zoning will be provided for the reference of understanding and research on zoning institution and behaviors. In addition, the impact of the rent-seeking patterns and the production paths on the zoning behaviors resulting in the change of zoning institution are explored. The results of the research will make further suggestions to the issues of institutional design of zoning, and to the avoidance of the negative effects of rent-seeking behavior. Moreover, the source and process of institutional change of zoning related to rent-seeking behavior, and the ways government responds to the rent-seeking behaviors are provided for the reference of further study of urban planning.
28

Relations entre le statut utérin, les paramètres biochimiques du sérum et du liquide de lavage utérin et la production d’embryons chez les vaches laitières après surovulation

Rasolomboahanginjatovo, Hasina Santatriniaina 03 1900 (has links)
Le développement et la survie de l’embryon dépendent des nutriments fournis par les sécrétions utérines. Les objectifs de cette étude étaient de déterminer l’effet de la surovulation (SOV) sur la bactériologie et cytologie utérine et sur les paramètres biochimiques utérin et sérique et leurs effets sur le nombre d’embryons transférables (ET). Deux groupes de vaches Holstein (groupe I, non lactante, n=7 et groupe II, lactante, n=28) ont été respectivement induites en chaleur ou surovulées et ensuite inséminées. Au jour 7 du cycle œstral (J7) et lors du jour de la récolte (JR), un prélèvement individuel de sang et de liquide de lavage utérin a été fait pour l’analyse du statut bactériologique et cytologique de l’utérus et la mesure de la concentration de plusieurs paramètres biochimiques présélectionnés. Les embryons récoltés ont été évalués selon les critères de l’IETS. La SOV a donnée une moyenne de 7.39 ± 6.22 ovocytes/embryons dont 3.32 ± 4.81 ET. Il n’y avait pas de variation significative de la bactériologie et cytologie utérine des deux groupes entre J7 et JR. La concentration sérique de l’urée (P=0.0001), d’E2 (P=0.006); la concentration utérine du Glu (P=0.002), de Ck (p=0.0007), de LDH (P <0.0001), de PT (P=0.004), de P4 (P=0.008), de PGFM (P<0.0001) du groupe I et la concentration sérique de P4 (P<0.0001), de PGFM (P<0.0001); la concentration utérine de LDH (P=0.002), de PGFM (P<0.0001) du groupe II ont été significativement élevées à JR qu’à J7. La concentration utérine et sérique de l’urée (P<0.0001 et P<0.0001), de LDH (P<0.0001 et P=0.008), la concentration sérique de P4 (P=0.0002) et la concentration utérine de PT (P=0.0003) à JR du groupe II étaient différente du groupe I. Il n’y avait pas d’association entre la bactériologie et cytologie utérine et le nombre d’ET. Cependant, le nombre d’ET a été positivement corrélé avec la concentration sérique d’IGF-1 à J7 (r=0.45; P=0.001) et la concentration sérique de P4 à JR (r=0.43; P<0.05) et négativement corrélé avec la concentration utérine et sérique de PGFM à la fois à J7 (r=-0.54; P<0.005 et r=-0.67; P<0.001) et à JR (r=-0.48; P<0.01 et r=-0.57; P<0.002). Ces résultats suggèrent que la SOV induit des changements au niveau sérique et utérin qui affectent le nombre d’ET récoltés. / The developing embryo is dependent on the nutrients provided by the oviduct and the uterine fluid. The objectives of this study were to determine the effect of SOV on uterine bacteriology and cytology, on serum and uterine biochemical parameters and consequently on the number of TE. Non-lactating (n=7) and lactating (n=28) Holstein cows were synchronized for estrus and superovulated respectively and were inseminated twice. Uterine bacteriology and cytology and various uterine and serum biochemical parameters were measured at day 7 of estrus cycle (D7, starting day of the SOV protocol) and at the designated day of embryo recovery (DER). Harvested embryos were evaluated according to IETS’s criteria. Superovulated cows produced an average of 7.39 ± 6.22 ova/embryos of which 3.32 ± 4.81 were TE. There were no significant variations of uterine bacteriology and cytology between D7 and DER within the two groups. Serum urea (P=0.0001), E2 (P=0.006); uterine Glu (P=0.002), Ck (P=0.0007), LDH (P<0.0001), TP (P=0.004), P4 (P=0.008), PGFM (P<0.0001) in group I and serum P4 (P<0.0001), PGFM (P<0.0001); uterine LDH (P=0.002), PGFM (P<0.0001) in group II were significantly higher at DER than at D7. At DER, group I was different to group II’ uterine and serum urea (P<0.0001 and P<0.0001), LDH (P<0.0001 and P=0.008), PGFM (P=0.002 and P=0.009), serum P4 (P=0.0002) and uterine TP (P=0.0003). There was no association between uterine bacteriology and cytology and the number of TE. However, TE was positively correlated with serum IGF-1 at D7 (r=0.45; P=0.001) and P4 at DER (r=0.43; P<0.05) and negatively correlated with both serum and uterine PGFM respectively at D7 (r=-0.54; P<0.005 and r=-0.67; P<0.001) and DER (r=-0.48; P<0.01 and r=-0.57; P<0.002). The present results infer that changes following SOV in both serum and uterine secretion may affect the number of TE.
29

Transferable reduced TB models for elemental Si and N and binary Si-N systems

Gehrmann, Jan January 2013 (has links)
Silicon nitride is a bulk and a coating material exhibiting excellent mechanical properties. The understanding of the complex processes at the nanometre scale gained through experimental research will be enhanced by the existence of a computationally efficient and accurate model that is able to describe the mechanical properties of silicon nitride. Such a model has yet to be proposed. In this thesis we present a transferable reduced tight-binding (TB) model for the silicon nitride system. More precisely, this model consists of a reduced TB model for elemental silicon, a reduced TB model for elemental nitrogen, and a reduced TB model for silicon nitride. These models are developed within the framework of coarse-graining the electronic structure from density functional theory (DFT) to tight binding (TB) to bond-order potentials (BOPs), and can therefore be used in the future as the stepping stone to develop BOPs for the application in large scale simulations. The bond integrals employed in the reduced TB models are obtained directly from mixed-basis DFT projections of wave functions onto a minimal basis of atom-centred orbitals. This approach reduces the number of overall parameters to be fitted and provides models which are transferable through the different coarse-graining levels. We provide an example by using the same bond integrals in the reduced TB model for silicon and the preliminary bond-based BOP for silicon. DFT binding energies of ground state and metastable crystal structures are used as the benchmark to which the TB and BOP repulsive parameters are fitted. In addition to model development, we present an improved methodology when going from TB to reduced TB. By weighting all four &sigma; TB bond integrals equally, we provide a new parameterisation (Eqs. (2.73) and (2.74)) and show that the quality of the silicon reduced TB model can be increased by choosing one of the reduced TB parameters to be distance invariant. The ingredients, the development methodology, and the quality of each of the four models are discussed in a separate chapter. The quality of the reduced TB models and BOP is demonstrated by comparing their predictions for the binding energies, heats of formation, elastic constants, and defect energies with DFT and experimental values.
30

公共設施保留地容積移轉市場交易機制之研究 / Study on the market transaction mechanism of the transferable development rights of land reservations for public facilities

劉厚連 Unknown Date (has links)
公共設施保留地容積移轉在於藉由市場交易機制,使公共設施保留地地主在等待政府徵收之前,得透過容積出售給開發業者獲致價金補償之機會,並免除政府直接辦理徵收之財政壓力。容積移轉制度基本精神是以市場效率解決土地分區使用之公平問題,然現行制度下,不同地區之公共設施保留地移出容積可得價金懸殊缺乏公平性,且容積交易集中於特定地區,造成當地生活環境品質之惡化。故本研究在制度建立之政策層面,尋求達到「受損補償,受益付費」公平原則,使容積購買者付出合理的價金購買公共設施保留地地主持有容積並透過制度設計控管容積移轉對生活環境品質衝擊之問題。在容積交易市場層面,則透過市場機制設計,塑造有助於市場形成與價格維繫之環境及降低容積買賣雙方之交易成本,以促進市場交易之效率並實現前述對地主之公平為目標。 本研究首先從市場供需之角度,分析容積供需失衡,對公共設施保留地容積移轉市場中容積價格之影響,並檢視影響TDR方案成功之市場運作因素與供需條件。其次,就買賣雙方交易盈餘分配進行探討,運用賽局理論中那許均衡之概念,分析討價還價之均衡解,以闡明信息不對稱下,如何解決地主在容積交易中議價資訊不足之問題,提高容積移轉價格,增進該制度在保障公共設施保留地地主財產權之貢獻。第三,引用中間層理論探討TDR銀行在解決交易成本問題之優勢,並闡明非營利性質因減少中介費用支出,增加交易雙方之交易剩餘,較能使TDR方案成功。第四,藉由前述理論之探討,本研究研擬改善現行公共設施保留地容積移轉的市場機制之相關議題,透過學者專家問卷及權利關係人的問卷調查之設計,汲取市場機制改善之建議。 本研究認為我國容積移轉市場存在容積總量超出環境容受力、市場所能提供之交易資訊不足、容積價格落差過大、中介者所提供的服務仍待加強及交易成本偏高等問題,需透過政府介入加以解決。因此,提出以容積銀行為容積移轉政策執行核心之市場交易機制,由各直轄市、縣市政府成立一個非營利性質的容積銀行,作為容積移轉交易平台,並成立專款專用之容積銀行運作基金,作為政策性購買容積取得所需公共設施保留地之用,賦予容積銀行資訊提供、中介媒合、價格引導、確保交易等功能,降低容積移轉交易成本,創造有利之交易環境,確保公共設施保留地地主,能以合理價格出售變現、政府財政可以負荷及都市居住環境品質得到掌控與維護的政策目標。根據研究結果提出建立公共設施保留容積移轉政策之決策與實踐機制及以容積銀行交易平台為主之交易市場機制等制度建議,作為政府未來改善公共設施容積移轉制度之參考。 / The transferable development rights (TDR) of land reservations for public facilities are a unique transferring method of development rights in Taiwan. This system allows the owners of land reservations for public facilities to sell the land, through market transaction mechanism and before the acquisition by the government, to developers through TDR in order to earn land transferring compensation. This system can also reduce the financial burden on the government on land acquisition. However, TDR has been questioned for deteriorating the urban living environment due to overdevelopment, and the transaction mechanism may reduce the market function and efficiency due to high transaction costs. Therefore, this study aims to design a market mechanism that can control the impact of TDR on the living environment, create an environment that is conducive to market formulation and price maintenance, and reduce the transaction costs of sellers and buyers, in order to facilitate the efficiency of market transaction and realize the fairness on the land owners. This paper first analyzes the imbalance between the TDR supply and demand from the market supply and demand perspective, and examines the effect of TDR of land reservations for public facilities on volume price in the market, as well as the market operational factors and supply/demand conditions that affect the success of TDR plans. Then, it discusses the surplus distribution of buyers and sellers, and applies the concept of Nash Equilibrium in the Game Theory to analyze the equilibrium solution of price bargaining. It aims to expound on how land owners could raise the TDR price under insufficient information due to information asymmetry during the bargaining process, and enhance the contribution of this system on the proprietorship of the land owners on land reservations for public facilities. Third, this paper applies the intermediation theory to discuss the advantages of TDR banks in solving the problem of transaction costs, and explains the reason that non-profit characteristics are more likely to guarantee the success of TDR plans. Fourth, based on the above discussions, this paper aims to improve the market mechanism of the TDR of land reservations for public facilities, and conduct questionnaire survey on experts and interest parties in order to collect opinions on the improvement schemes. Lastly, this paper proposes the market mechanism of using TDR bank as the policy executor of TDR, and establishing a non-profit TDR bank in each city/county by the local government as a transaction platform for TDR transaction. TDR bank operational fund should be established for exclusive use on the policy-oriented purchase of TDR of land reservations for public facilities. Thus, the TDR bank has the functions of providing information, mediating, price guiding, and transaction guaranteeing, in order to reduce the TDR transaction costs, create a favorable transaction environment, ensure the land owners of land reservations for public facilities to sell their lands at reasonable prices, reduce the financial burden of the government, and maintain a fair urban living environment. Suggestions are provided based on the research findings as a reference to the government on improving the TDR system of land reservations for public facilities.

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