Search results for: theoretical mechanism
6432 The Effect of Internal Auditing Function on the Quality of Financial Reporting: A Theoretical Framework
Authors: Hani Albogami
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The internal audit function is considered as one of the internal corporate governance mechanisms that may have an impact on improving earnings quality by constraining earnings management. The internal audit function is also a unique corporate governance mechanism because internal auditors have more involvement with the day-to-day operations comparing to the audit committee, and also internal auditors audit their companies the whole year compared to the external auditor who audits only a certain time of the year. The relationships between internal audit function and earnings management can be understood by some theories. Therefore, this paper provides a theoretical background of the influence of the quality of internal audit function on earnings management. In particular, the agency theory, institutional theory, singling theory, and resource dependency theory are adapted by this paper to provide some understanding and analyses that can be a basis for future research to contribute to the corporate governance academic studies.Keywords: internal audit, corporate governance, earnings management, accounting
Procedia PDF Downloads 2006431 On a Theoretical Framework for Language Learning Apps Evaluation
Authors: Juan Manuel Real-Espinosa
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This paper addresses the first step to evaluate language learning apps: what theoretical framework to adopt when designing the app evaluation framework. The answer is not just one since there are several options that could be proposed. However, the question to be clarified is to what extent the learning design of apps is based on a specific learning approach, or on the contrary, on a fusion of elements from several theoretical proposals and paradigms, such as m-learning, mobile assisted language learning, and a number of theories about language acquisition. The present study suggests that the reality is closer to the second assumption. This implies that the theoretical framework against which the learning design of the apps should be evaluated must also be a hybrid theoretical framework, which integrates evaluation criteria from the different theories involved in language learning through mobile applications.Keywords: mobile-assisted language learning, action-oriented approach, apps evaluation, post-method pedagogy, second language acquisition
Procedia PDF Downloads 2066430 Research on Contract's Explicit Incentive and Reputation's Implicit Incentive Mechanism towards Construction Contractors
Authors: Li Ma, Meishuang Ma, Mengying Huang
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The quality of construction projects reflects the credit and responsibilities of construction contractors for the owners and the whole society. Because the construction contractors master more relevant information about the entrusted engineering project under construction while the owners are in unfavorable position of gaining information, asymmetric information may lead the contractors act against the owners in order to pursue their own interests. Building a powerful motivation mechanism is the key to guarantee investor economic interests and the life and property of users in construction projects. Based on principal-agent theory and game theory, the authors develop relevant mathematical models to analyze and compare the contractor’s utility functions under different combinations of contracts’ explicit incentive mechanism and reputation’s implicit incentive mechanism aiming at finding out the conditions for incentive validity. The research concludes that the most rational motivation way is to combine the explicit and implicit incentive effects of both contracts and reputation mechanism, and puts forth some measures for problems on account of China’s current situation.Keywords: construction contractors, contract, reputation, incentive mechanism
Procedia PDF Downloads 5096429 The Influence of Machine Tool Composite Stiffness to the Surface Waviness When Processing Posture Constantly Switching
Authors: Song Zhiyong, Zhao Bo, Du Li, Wang Wei
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Aircraft structures generally have complex surface. Because of constantly switching postures of motion axis, five-axis CNC machine’s composite stiffness changes during CNC machining. It gives rise to different amplitude of vibration of processing system, which further leads to the different effects on surface waviness. In order to provide a solution for this problem, we take the “S” shape test specimen’s CNC machining for the object, through calculate the five axis CNC machine’s composite stiffness and establish vibration model, we analysis of the influence mechanism between vibration amplitude and surface waviness. Through carry out the surface quality measurement experiments, verify the validity and accuracy of the theoretical analysis. This paper’s research results provide a theoretical basis for surface waviness control.Keywords: five axis CNC machine, “S” shape test specimen, composite stiffness, surface waviness
Procedia PDF Downloads 3906428 Atomic Scale Storage Mechanism Study of the Advanced Anode Materials for Lithium-Ion Batteries
Authors: Xi Wang, Yoshio Bando
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Lithium-ion batteries (LIBs) can deliver high levels of energy storage density and offer long operating lifetimes, but their power density is too low for many important applications. Therefore, we developed some new strategies and fabricated novel electrodes for fast Li transport and its facile synthesis including N-doped graphene-SnO2 sandwich papers, bicontinuous nanoporous Cu/Li4Ti5O12 electrode, and binder-free N-doped graphene papers. In addition, by using advanced in-TEM, STEM techniques and the theoretical simulations, we systematically studied and understood their storage mechanisms at the atomic scale, which shed a new light on the reasons of the ultrafast lithium storage property and high capacity for these advanced anodes. For example, by using advanced in-situ TEM, we directly investigated these processes using an individual CuO nanowire anode and constructed a LIB prototype within a TEM. Being promising candidates for anodes in lithium-ion batteries (LIBs), transition metal oxide anodes utilizing the so-called conversion mechanism principle typically suffer from the severe capacity fading during the 1st cycle of lithiation–delithiation. Also we report on the atomistic insights of the GN energy storage as revealed by in situ TEM. The lithiation process on edges and basal planes is directly visualized, the pyrrolic N "hole" defect and the perturbed solid-electrolyte-interface (SEI) configurations are observed, and charge transfer states for three N-existing forms are also investigated. In situ HRTEM experiments together with theoretical calculations provide a solid evidence that enlarged edge {0001} spacings and surface "hole" defects result in improved surface capacitive effects and thus high rate capability and the high capacity is owing to short-distance orderings at the edges during discharging and numerous surface defects; the phenomena cannot be understood previously by standard electron or X-ray diffraction analyses.Keywords: in-situ TEM, STEM, advanced anode, lithium-ion batteries, storage mechanism
Procedia PDF Downloads 3526427 Analysis of Structure-Flow Interaction for Water Brake Mechanism
Authors: Murat Avci, Fatih Kosar, Ismail Yilmaz
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In this study, structure-flow interaction for water brake mechanism is studied with Abaqus CEL approach. The water brake mechanism is used for dynamic systems such as sled system on rail. For the achievement of these system tests, structure-flow interaction should be investigated in detail. This study is about a sled test of an aircraft subsystem which rises to supersonic speeds thanks to rocket engines. To decrease or to stop the thrusting rocket sleds, water brake mechanisms are used. Water brake mechanism provides the deceleration of the structures that have supersonic speeds. Therefore, structure-flow interaction may cause damage to the water brake mechanism. To verify all design revisions with system tests are so costly so that some decisions are taken in accordance with numerical methods. In this study, structure-flow interaction that belongs to water brake mechanism is solved with Abaqus CEL approach. Fluid and deformation on the structure behaviors are modeled at the same time thanks to CEL approach. Provided analysis results are corrected with the dynamic tests. Deformation zones seen in numerical analysis are also observed in dynamic tests. Finally, Johnson-Cook material model parameters used for this analysis are proven, and it is understood that these parameters can be used for dynamic analysis like water brake mechanism.Keywords: aircraft, rocket, structure-flow, supersonic
Procedia PDF Downloads 1586426 Optimality of Shapley Value Mechanism under Sybil Strategies
Authors: Bruno Mazorra Roig
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In the realm of cost-sharing mechanisms, the vulnerability to Sybil strategies, where agents can create fake identities to manipulate outcomes, has not yet been studied. In this paper, we delve into the intricacies of different cost-sharing mechanisms proposed in the literature, highlighting its non-Sybil-resistance nature. Furthermore, we prove that under mild conditions, a Sybil-proof cost-sharing mechanism for public excludable goods is at least (n/2 + 1)−approximate. This finding reveals an exponential increase in the worst-case social cost in environments where agents are restricted from using Sybil strategies. We introduce the concept of Sybil Welfare Invariant mechanisms, where a mechanism maintains its worst-case welfare under Sybil strategies for every set of prior beliefs with full support even when the mechanism is not Sybil-proof. Finally, we prove that the Shapley value mechanism for public excludable goods holds this property and so deduce that the worst-case social cost of this mechanism is the nth harmonic number Hn under the equilibrium of the game with Sybil strategies, matching the worst-case social cost bound for cost-sharing mechanisms. This finding carries important implications for decentralized autonomous organizations (DAOs), indicating that they are capable of funding public excludable goods efficiently, even when the total number of agents is unknown.Keywords: game theory, mechanism design, cost sharing, false-name proofness
Procedia PDF Downloads 646425 Design and Optimization for a Compliant Gripper with Force Regulation Mechanism
Authors: Nhat Linh Ho, Thanh-Phong Dao, Shyh-Chour Huang, Hieu Giang Le
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This paper presents a design and optimization for a compliant gripper. The gripper is constructed based on the concept of compliant mechanism with flexure hinge. A passive force regulation mechanism is presented to control the grasping force a micro-sized object instead of using a sensor force. The force regulation mechanism is designed using the planar springs. The gripper is expected to obtain a large range of displacement to handle various sized objects. First of all, the statics and dynamics of the gripper are investigated by using the finite element analysis in ANSYS software. And then, the design parameters of the gripper are optimized via Taguchi method. An orthogonal array L9 is used to establish an experimental matrix. Subsequently, the signal to noise ratio is analyzed to find the optimal solution. Finally, the response surface methodology is employed to model the relationship between the design parameters and the output displacement of the gripper. The design of experiment method is then used to analyze the sensitivity so as to determine the effect of each parameter on the displacement. The results showed that the compliant gripper can move with a large displacement of 213.51 mm and the force regulation mechanism is expected to be used for high precision positioning systems.Keywords: flexure hinge, compliant mechanism, compliant gripper, force regulation mechanism, Taguchi method, response surface methodology, design of experiment
Procedia PDF Downloads 3316424 Minimum Pension Guarantee in Funded Pension Schemes: Theoretical Model and Global Implementation
Authors: Ishay Wolf
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In this study, the financial position of pension actors in the market during the pension system transition toward a more funded capitalized scheme is explored, mainly via an option benefit model. This is enabled by not considering the economy as a single earning cohort. We analytically demonstrate a socio-economic anomaly in the funded pension system, which is in favor of high earning cohorts on at the expense of low earning cohorts. This anomaly is realized by a lack of insurance and exposure to financial and systemic risks. Furthermore, the anomaly might lead to pension re-reform back to unfunded scheme, mostly due to political pressure. We find that a minimum pension guarantee is a rebalance mechanism to this anomaly, which increases the probability to of the sustainable pension scheme. Specifically, we argue that implementing the guarantee with an intra-generational, risk-sharing mechanism is the most efficient way to reduce the effect of this abnormality. Moreover, we exhibit the convergence process toward implementing minimum pension guarantee in many countries which have capitalized their pension systems during the last three decades, particularly among Latin America and CEE countries.Keywords: benefits, pension scheme, put option, social security
Procedia PDF Downloads 1226423 Theoretical and Experimental Study on the NO Reduction by H₂ over Char Decorated with Ni at low Temperatures
Authors: Kaixuan Feng, Ruixiang Lin, Yuyan Hu, Yuheng Feng, Dezhen Chen, Tongcheng Cao
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In this study, we propose a reaction system for the low-temperature reduction of NO by H₂ on carbon-based materials decorated with 5%wt. Ni. This cost-effective catalyst system efficiently utilizes pyrolysis carbon-based materials and waste hydrogen. Additionally, it yields environmentally friendly products without requiring extra heat sources in practical SCR devices. Density functional theory elucidates the mechanism of NO heterogeneous reduction by H₂ on Ni-decorated char surfaces. Two distinct reaction paths were identified, one involving the intermediate product N₂O and the other not. These pathways exhibit different rate-determination steps and activation energies. Kinetic analysis indicates that the N₂O byproduct pathway has a lower activation energy. Experimental results corroborate the theoretical findings. Thus, this research enhances our mechanistic understanding of the NO-H₂ reaction over char and offers insights for optimizing catalyst design in low-temperature NO reduction.Keywords: char-based catalysis, NO reduction, DFT study, heterogeneous reaction, low-temperature H₂-reduction
Procedia PDF Downloads 796422 Design and Analysis of Flexible Slider Crank Mechanism
Authors: Thanh-Phong Dao, Shyh-Chour Huang
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This study presents the optimal design and formulation of a kinematic model of a flexible slider crank mechanism. The objective of the proposed innovative design is to take extra advantage of the compliant mechanism and maximize the fatigue life by applying the Taguchi method. A formulated kinematic model is developed using a Pseudo-Rigid-Body Model (PRBM). By means of mathematic models, the kinematic behaviors of the flexible slider crank mechanism are captured using MATLAB software. Finite Element Analysis (FEA) is used to show the stress distribution. The results show that the optimal shape of the flexible hinge includes a force of 8.5N, a width of 9mm and a thickness of 1.1mm. Analysis of variance shows that the thickness of the proposed hinge is the most significant parameter, with an F test of 15.5. Finally, a prototype is manufactured to prepare for testing the kinematic and dynamic behaviors.Keywords: kinematic behavior, fatigue life, pseudo-rigid-body model, flexible slider crank mechanism
Procedia PDF Downloads 4596421 Codification Controversy in Islamic and Saudi Law(Theoretical and Practical Study)
Authors: Mohamed Almagsoudi
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The aim of this paper is to deal with two issues. One of them is about the theoretical side of codification, and the other is related to the practical side. At first, I have tried to criticize the debate running about codification of Islamic and Saudi Law, through observing and analyzing views of opponents and advocates. I tried to prove a hypothesis that both parties could not completely succeed in reviewing the theoretical base of this topic where discussion would not deal with irrelevant matters. It is a crucial shortcoming that made advocates unable to answer the critical questions addressed by those opponents.Keywords: Codification, Saudi Law, Islamic law, Sharia
Procedia PDF Downloads 1236420 Effects of Manufacture and Assembly Errors on the Output Error of Globoidal Cam Mechanisms
Authors: Shuting Ji, Yueming Zhang, Jing Zhao
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The output error of the globoidal cam mechanism can be considered as a relevant indicator of mechanism performance, because it determines kinematic and dynamical behavior of mechanical transmission. Based on the differential geometry and the rigid body transformations, the mathematical model of surface geometry of the globoidal cam is established. Then we present the analytical expression of the output error (including the transmission error and the displacement error along the output axis) by considering different manufacture and assembly errors. The effects of the center distance error, the perpendicular error between input and output axes and the rotational angle error of the globoidal cam on the output error are systematically analyzed. A globoidal cam mechanism which is widely used in automatic tool changer of CNC machines is applied for illustration. Our results show that the perpendicular error and the rotational angle error have little effects on the transmission error but have great effects on the displacement error along the output axis. This study plays an important role in the design, manufacture and assembly of the globoidal cam mechanism.Keywords: globoidal cam mechanism, manufacture error, transmission error, automatic tool changer
Procedia PDF Downloads 5746419 Development of a Harvest Mechanism for the Kahramanmaraş Chili Pepper
Authors: O. E. Akay, E. Güzel, M. T. Özcan
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The pepper has quite a rich variety. The development of a single harvesting machine for all kinds of peppers is a difficult research topic. By development of harvesting mechanisms, we could be able to facilitate the pepper harvesting problems. In this study, an experimental harvesting machine was designed for chili pepper. Four-bar mechanism was used for the design of the prototype harvesting machine. At the result of harvest trials, 80% of peppers were harvested and 8% foreign materials were collected. These results have provided some tips on how to apply to large-scale pepper Four-bar mechanism of the harvest machine.Keywords: kinematic simulation, four bar linkage, harvest mechanization, pepper harvest
Procedia PDF Downloads 3466418 Mechanism of Changing a Product Concept
Authors: Kiyohiro Yamazaki
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The purpose of this paper is to examine the hypothesis explaining the mechanism in the case, where the product is deleted or reduced the fundamental function of the product through the product concept changes in the digital camera industry. This paper points out not owning the fundamental technology might cause the change of the product concept. Casio could create new competitive factor so that this paper discusses a possibility of the mechanism of changing the product concept.Keywords: firm without fundamental technology, product development, product concept, digital camera industry, Casio
Procedia PDF Downloads 5626417 Explicable Enzymatic Mechanism of H-Ido to Oxidise Tryptophan by Employing Various Substrates
Authors: Ali Bahri Lubis
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The study of dioxygenase enzymatic mechanism on tryptophan oxidation has been a wide interest since the reaction is rate-limiting step of kynurenine pathway. In this research, observation of tryptophan oxidation through h-IDO enzyme along with synthesis of enzyme products was conducted in order to comprehend how the enzyme works on distinct substrates. UV-vis spectrophotometry, LC-MS, H-NMR and HSQC measurement were carried out to characterise enzyme product. It is found that while tryptophan was oxidised to form Nformylkynurenine (NFK) as a major product and hydroxypyrroloindole amine carboxylic acid (HPIC) in cis and trans confirmed in HSQC, N-methyl tryptophan substrate was converted to NFK and trans HPIC only. Other intriguing results showed that 5-hydroxy- tryptophan and Stryptophan was degraded to become NFK and epoxide cyclic respectively. The formation of NFK was considered through dioxygenation pathway, however HPIC was formed via monooxygenation. The epoxide cyclic—considered as intermediate compound in the mechanism— from S-tryptophan was not able to cleave the epoxide ring since bond energy of epoxide was probably much stronger. This validates the enzymatic mechanism where the intermediate compound in the enzymatic mechanism is epoxide cyclic.Keywords: tryptophan oxidation, heme-dioxygenases, N-formylkynurenine, hydroxypyrrroloindoleamine, monooxidation
Procedia PDF Downloads 896416 A Workable Mechanism to Support Students Who Are at Risk
Authors: Mohamed Chabi
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The project of helping students at risk started at the Math department in the new foundation program at Qatar University in the fall 2012 semester. The purpose was to find ways to help students who were struggling with their math courses Elementary algebra or Precalculus course due to many factors. Department had formed the Committee “students at Risk” at the start of 12-13 to assist struggling students in our math courses to get their studies on track. A mechanism was developed to support students who are at risk using a developed E-Monitoring system. E-Monitoring system was developed to manage automatically all transactions relevant to the students’ attendance, Students ‘‘warning Students’’ grading, etc. E-Monitoring System produce various statistics such as, Overall course statistics, Performance, Students at Risk… to help department to develop a higher quality of education in the Foundation Program at Math department. The mechanism was studies and evaluated. Whatever the cause, the sooner we identify students who are not performing well academically, the sooner we can provide, or direct them to the resources that are available to them. In this paper, we outline the mechanism and its effect on students’ performance. The collected data from various exams shows that students had benefited from the mechanism.Keywords: students at risk, e-monitoring system, warning students, performance
Procedia PDF Downloads 4886415 Artificial Reproduction System and Imbalanced Dataset: A Mendelian Classification
Authors: Anita Kushwaha
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We propose a new evolutionary computational model called Artificial Reproduction System which is based on the complex process of meiotic reproduction occurring between male and female cells of the living organisms. Artificial Reproduction System is an attempt towards a new computational intelligence approach inspired by the theoretical reproduction mechanism, observed reproduction functions, principles and mechanisms. A reproductive organism is programmed by genes and can be viewed as an automaton, mapping and reducing so as to create copies of those genes in its off springs. In Artificial Reproduction System, the binding mechanism between male and female cells is studied, parameters are chosen and a network is constructed also a feedback system for self regularization is established. The model then applies Mendel’s law of inheritance, allele-allele associations and can be used to perform data analysis of imbalanced data, multivariate, multiclass and big data. In the experimental study Artificial Reproduction System is compared with other state of the art classifiers like SVM, Radial Basis Function, neural networks, K-Nearest Neighbor for some benchmark datasets and comparison results indicates a good performance.Keywords: bio-inspired computation, nature- inspired computation, natural computing, data mining
Procedia PDF Downloads 2726414 Generation Mechanism of Opto-Acoustic Wave from in vivo Imaging Agent
Authors: Hiroyuki Aoki
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The optoacoustic effect is the energy conversion phenomenon from light to sound. In recent years, this optoacoustic effect has been utilized for an imaging agent to visualize a tumor site in a living body. The optoacoustic imaging agent absorbs the light and emits the sound signal. The sound wave can propagate in a living organism with a small energy loss; therefore, the optoacoustic imaging method enables the molecular imaging of the deep inside of the body. In order to improve the imaging quality of the optoacoustic method, the more signal intensity is desired; however, it has been difficult to enhance the signal intensity of the optoacoustic imaging agent because the fundamental mechanism of the signal generation is unclear. This study deals with the mechanism to generate the sound wave signal from the optoacoustic imaging agent following the light absorption by experimental and theoretical approaches. The optoacoustic signal efficiency for the nano-particles consisting of metal and polymer were compared, and it was found that the polymer particle was better. The heat generation and transfer process for optoacoustic agents of metal and polymer were theoretically examined. It was found that heat generated in the metal particle rapidly transferred to the water medium, whereas the heat in the polymer particle was confined in itself. The confined heat in the small particle induces the massive volume expansion, resulting in the large optoacoustic signal for the polymeric particle agent. Thus, we showed that heat confinement is a crucial factor in designing the highly efficient optoacoustic imaging agent.Keywords: nano-particle, opto-acoustic effect, in vivo imaging, molecular imaging
Procedia PDF Downloads 1306413 Evolution Mechanism of the Formation of Rock Heap under Seismic Action and Analysis on Engineering Geological Structure
Authors: Jian-Xiu Wan, Yao Yin
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In complex terrain and poor geological conditions areas, Railway, highway and other transportation constructions are still strongly developing. However, various geological disasters happened such as landslide, rock heap and so on. According to the results of geological investigation, the form of skirt (trapezoidal), semicircle and triangle rock heaps are mainly due to complex internal force and external force, in a certain extent, which is related to the terrain, the nature of the rock mass, the supply area and the surface shape of rock heap. Combined with the above factors, discrete element numerical simulation of rock mass is established under different terrain conditions based on 3DEC, and accelerated formation process of rock heap under seismic action is simulated. The fragmentation structure supply area is calculated, in which the most dangerous area is located. At the same time, the formation mechanism and development process are studied in different terrain conditions, and the structure of rock heap is judged by section, which can provide a strong theoretical and technical support for the prevention and control of geological disasters.Keywords: 3DEC, fragmentation structure, rock heap, slope, seismic action
Procedia PDF Downloads 2966412 Structured Access Control Mechanism for Mesh-based P2P Live Streaming Systems
Authors: Chuan-Ching Sue, Kai-Chun Chuang
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Peer-to-Peer (P2P) live streaming systems still suffer a challenge when thousands of new peers want to join into the system in a short time, called flash crowd, and most of new peers suffer long start-up delay. Recent studies have proposed a slot-based user access control mechanism, which periodically determines a certain number of new peers to enter the system, and a user batch join mechanism, which divides new peers into several tree structures with fixed tree size. However, the slot-based user access control mechanism is difficult for accurately determining the optimal time slot length, and the user batch join mechanism is hard for determining the optimal tree size. In this paper, we propose a structured access control (SAC) mechanism, which constructs new peers to a multi-layer mesh structure. The SAC mechanism constructs new peer connections layer by layer to replace periodical access control, and determines the number of peers in each layer according to the system’s remaining upload bandwidth and average video rate. Furthermore, we propose an analytical model to represent the behavior of the system growth if the system can utilize the upload bandwidth efficiently. The analytical result has shown the similar trend in system growth as the SAC mechanism. Additionally, the extensive simulation is conducted to show the SAC mechanism outperforms two previously proposed methods in terms of system growth and start-up delay.Keywords: peer-to-peer, live video streaming system, flash crowd, start-up delay, access control
Procedia PDF Downloads 3176411 Green Hospitality Industry: An Experience Study with Game Theory in China
Authors: Min Wei
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The green hotel provides the products/services consistent with the full utilization of resources, protecting the ecological environment conducive to customers’ requirements and health. In order to better develop the green hospitality industry, this paper applies the game theory to analyze the intrinsic relationship and balanced interests among the stakeholders including government, hotels, and tourists during green hospitality development. Based on the hypothesis in game theory, this paper tries to construct a linkage mechanism in stakeholders, by which a theoretical basis for the interests’ balance can be realized. By using game theory and constructing a game model including tourists, hotels and government, this paper analyzes the relationship of the various stakeholders involved in the green hospitality development, and subsequently proposes the development model of green hospitality industry. On the one hand, this paper applies game theory to construct a green hotel development model and provides a theoretical basis for the interest balance of stakeholders based on theoretical perspective. On the other hand, the current development of green hospitality industry is still in initial phase, and the outcome of this research tries to guide tourists to form a green awareness and to establish the concept of green consumption for hotel development, so that green hotel products/services are provided. In addition, this paper provides a basis for decision making in the relevant government departments so that the interests of all stakeholders are promoted and cooperative game between stakeholders is established, for which the sustainable development of green hotels is achieved. The findings indicate that the process of achieving green hospitality industry development is to maximize the whole interests of stakeholders.Keywords: green hospitality, game theory, stakeholders, development model
Procedia PDF Downloads 1316410 Theoretical Study on the Visible-Light-Induced Radical Coupling Reactions Mediated by Charge Transfer Complex
Authors: Lishuang Ma
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Charge transfer (CT) complex, also known as Electron donor-acceptor (EDA) complex, has received attentions increasingly in the field of synthetic chemistry community, due to the CT complex can absorb the visible light through the intermolecular charge transfer excited states, various of catalyst-free photochemical transformations under mild visible-light conditions. However, a number of fundamental questions are still ambiguous, such as the origin of visible light absorption, the photochemical and photophysical properties of the CT complex, as well as the detailed mechanism of the radical coupling pathways mediated by CT complex. Since these are critical factors for target-specific design and synthesis of more new-type CT complexes. To this end, theoretical investigations were performed in our group to answer these questions based on multiconfigurational perturbation theory. The photo-induced fluoroalkylation reactions are mediated by CT complexes, which are formed by the association of an acceptor of perfluoroalkyl halides RF−X (X = Br, I) and a suitable donor molecule such as β-naphtholate anion, were chosen as a paradigm example in this work. First, spectrum simulations were carried out by both CASPT2//CASSCF/PCM and TD-DFT/PCM methods. The computational results showed that the broadening spectra in visible light range (360-550nm) of the CT complexes originate from the 1(σπ*) excitation, accompanied by an intermolecular electron transfer, which was also found closely related to the aggregate states of the donor and acceptor. Moreover, from charge translocation analysis, the CT complex that showed larger charge transfer in the round state would exhibit smaller charge transfer in excited stated of 1(σπ*), causing blue shift relatively. Then, the excited-state potential energy surface (PES) was calculated at CASPT2//CASSCF(12,10)/ PCM level of theory to explore the photophysical properties of the CT complexes. The photo-induced C-X (X=I, Br) bond cleavage was found to occur in the triplet state, which is accessible through a fast intersystem crossing (ISC) process that is controlled by the strong spin-orbit coupling resulting from the heavy iodine and bromine atoms. Importantly, this rapid fragmentation process can compete and suppress the backward electron transfer (BET) event, facilitating the subsequent effective photochemical transformations. Finally, the reaction pathways of the radical coupling were also inspected, which showed that the radical chain propagation pathway could easy to accomplish with a small energy barrier no more than 3.0 kcal/mol, which is the key factor that promote the efficiency of the photochemical reactions induced by CT complexes. In conclusion, theoretical investigations were performed to explore the photophysical and photochemical properties of the CT complexes, as well as the mechanism of radical coupling reactions mediated by CT complex. The computational results and findings in this work can provide some critical insights into mechanism-based design for more new-type EDA complexesKeywords: charge transfer complex, electron transfer, multiconfigurational perturbation theory, radical coupling
Procedia PDF Downloads 1436409 Synthesis, Characterization of Benzodiazepine Derivatives through Condensation Reaction, Crystal Structure, and DFT Calculations
Authors: Samir Hmaimou, Marouane Ait Lahcen, Mohamed Adardour, Mohamed Maatallah, Abdesselam Baouid
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The stereoisomers (E)-2,2-dimethyl-4-(4-subsitutedstyryl)-2,3-dihydro-1H-[1,5]-benzodiazepine 3(a-d) were synthesized via the condensation reaction of 2,2,3 4-trimethyl-2,3-dihydro-1H-1,5-benzodiazepine (BZD) 1 with the benzaldehyde derivatives 2(a-d) in polar protic solvent as ethanol. The chemical structure of the prepared products was confirmed by NMR (¹H and ¹³C), HRMS, and X-ray analysis of the crystal structure 3d. The condensation reaction was examined using DFT calculations at the theoretical level of B3LYP/6-311G(d,p). Frontier molecular orbital analysis shows that the most favorable interaction is between the HOMO of BZD 1 and the LUMO of 2(a-d). On the other hand, the calculation of the global reactivity indices (softness, hardness, and chemical potential) confirmed that benzodiazepine BDZ 1 act as a nucleophile, whereas the aldehyde derivatives 2(a-d) play the role of electrophile. Furthermore, we identified each reagent's reactive sites by the measurement of the reactivity indices to explain the experimentally observed regioselectivity, using Fukui local reactivity descriptors. A one-step mechanism reaction and order 2 water elimination were investigated. We also looked at how the electron-withdrawing groups (EWG) of various aldehydes affected the reaction's mechanism and the stability of products 3(a-d).Keywords: benzodiazepine, DFT calculations, crystal structure, regioselective, condensation Reaction
Procedia PDF Downloads 136408 Moral Dilemmas, Difficulties in the Digital Games
Authors: YuPei Chang
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In recent years, moral judgement tasks have served as an increasingly popular plot mechanism in digital gameplay. As a moral agency, the player's choice judgment in digital games is to shuttle between the real world and the game world. The purpose of the research is to explore the moral difficulties brewed by the interactive mechanism of the game and the moral choice of players. In the theoretical level, this research tries to combine moral disengagement, moral foundations theory, and gameplay as an aesthetic experience. And in the methodical level, this research tries to use methods that combine text analysis, diary method, and in-depth interviews. There are three research problems that will be solved in three stages. In the first stage, this project will explore how moral dilemmas are represented in game mechanics. In the second stage, this project will analyze the appearance and conflicts of moral dilemmas in game mechanics based on the five aspects of moral foundations theory. In the third stage, this project will try to understand the players' choices when they face the choices of moral dilemmas, as well as their explanations and reflections after making the decisions.Keywords: morality, moral disengagement, moral foundations theory, PC game, gameplay, moral dilemmas, player
Procedia PDF Downloads 796407 Modeling and Dynamics Analysis for Intelligent Skid-Steering Vehicle Based on Trucksim-Simulink
Authors: Yansong Zhang, Xueyuan Li, Junjie Zhou, Xufeng Yin, Shihua Yuan, Shuxian Liu
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Aiming at the verification of control algorithms for skid-steering vehicles, a vehicle simulation model of 6×6 electric skid-steering unmanned vehicle was established based on Trucksim and Simulink. The original transmission and steering mechanism of Trucksim are removed, and the electric skid-steering model and a closed-loop controller for the vehicle speed and yaw rate are built in Simulink. The simulation results are compared with the ones got by theoretical formulas. The results show that the predicted tire mechanics and vehicle kinematics of Trucksim-Simulink simulation model are closed to the theoretical results. Therefore, it can be used as an effective approach to study the dynamic performance and control algorithm of skid-steering vehicle. In this paper, a method of motion control based on feed forward control is also designed. The simulation results show that the feed forward control strategy can make the vehicle follow the target yaw rate more quickly and accurately, which makes the vehicle have more maneuverability.Keywords: skid-steering, Trucksim-Simulink, feedforward control, dynamics
Procedia PDF Downloads 3236406 Facilitators and Barriers of Family Resilience in Cancer Patients Based on the Theoretical Domains Framework: An Integrative Review
Authors: Jiang Yuqi
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Aims: The aim is to analyze the facilitators and barriers of family resilience in cancer patients based on the theoretical domain framework, provide a basis for intervention in the family resilience of cancer patients, and identify the progress and enlightenment of existing intervention projects. Methods: NVivo software was used to code the influencing factors using the framework of 14 theoretical domains as primary nodes; secondary nodes were then refined using thematic analysis, and specific influencing factors were aggregated and analyzed for evaluator reliability. Data sources: PubMed, Embase, CINAHL, Web of Science, Cochrane Library, MEDLINE, CNKI, and Wanfang (search dates: from construction to November 2023). Results: A total of 35 papers were included, with 142 coding points across 14 theoretical domains and 38 secondary nodes. The three most relevant theoretical domains are social influences (norms), the environment and resources, and emotions (mood). The factors with the greatest impact were family support, mood, confidence and beliefs, external support, quality of life, economic circumstances, family adaptation, coping styles with illness, and management. Conclusion: The factors influencing family resilience in cancer patients cover most of the theoretical domains in the Theoretical Domains Framework and are cross-cutting, multi-sourced, and complex. Further in-depth exploration of the key factors influencing family resilience is necessary to provide a basis for intervention research.Keywords: cancer, survivors, family resilience, theoretical domains framework, literature review
Procedia PDF Downloads 466405 Configuration Design and Optimization of the Movable Leg-Foot Lunar Soft-Landing Device
Authors: Shan Jia, Jinbao Chen, Jinhua Zhou, Jiacheng Qian
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Lunar exploration is a necessary foundation for deep-space exploration. For the functional limitations of the fixed landers which are widely used currently and are to expand the detection range by the use of wheeled rovers with unavoidable path-repeatability, a movable lunar soft-landing device based on cantilever type buffer mechanism and leg-foot type walking mechanism is presented. Firstly, a 20 DoFs quadruped configuration based on pushrod is proposed. The configuration is of the bionic characteristics such as hip, knee and ankle joints, and can make the kinematics of the whole mechanism unchanged before and after buffering. Secondly, the multi-function main/auxiliary buffers based on crumple-energy absorption and screw-nut mechanism, as well as the telescopic device which could be used to protect the plantar force sensors during the buffer process are designed. Finally, the kinematic model of the whole mechanism is established, and the configuration optimization of the whole mechanism is completed based on the performance requirements of slope adaptation and obstacle crossing. This research can provide a technical solution integrating soft-landing, large-scale inspection and material-transfer for future lunar exploration and even mars exploration, and can also serve as the technical basis for developing the reusable landers.Keywords: configuration design, lunar soft-landing device, movable, optimization
Procedia PDF Downloads 1586404 Idea Expropriation, Incentives, and Governance within Organizations
Authors: Gulseren Mutlu, Gurupdesh Pandher
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This paper studies the strategic interplay between innovation, incentives, expropriation threat and disputes arising from expropriation from an intra-organization perspective. We present a simple principal-agent model with hidden actions and hidden information in which two employees can choose how much (innovative) effort to exert, whether to expropriate the innovation of the other employee and whether to dispute if innovation is expropriated. The organization maximizes its expected payoff by choosing the optimal reward scheme for both employees as well as whether to encourage or discourage disputes. We analyze two mechanisms under which innovative ideas are not expropriated. First, we show that under a non-contestable mechanism (in which the organization discourages disputes among employees), the organization has to offer a “rent” to the potential expropriator. However, under a contestable mechanism (in which the organization encourages disputes), there is no need for such rent. If the cost of resolving the dispute is negligible, the organization’s expected payoff is higher under a contestable mechanism. Second, we develop a comparable team mechanism in which innovation takes place as a result of the joint efforts of employees and innovation payments are made based on the team outcome. We show that if the innovation value is low and employees have similar productivity, then the organization is better off under a contestable mechanism. On the other hand, if the innovation value is high, the organization is better off under a team mechanism. Our results have important practical implications for the design of innovation reward system for employees, hiring policy and governance for different companies.Keywords: innovation, incentives, expropriation threat, dispute resolution
Procedia PDF Downloads 6166403 Soot Formation in the Field of Combustion
Authors: Nacira Mecheri, N. Boussid
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A new chemical mechanism designed to study the process of forming the first aromatic ring (benzene) and polycyclic aromatic hydrocarbons (PAH) from a flame of acetylene (C2H2) has been developed. The mechanism developed, contains 50 chemical species involved in 268 reversible elementary reactions. The comparison between the results from modelling and experimental measurements allowed us to test the validity of the postulated mechanism in specific experimental conditions. Kinetic analysis of the flame by calculating the maximum rates for each elementary reaction, allowed us to identify key reactions pathways of consumption and formation of main precursors of soot.Keywords: benzene, PAH, acetylene, modeling, flame, soot
Procedia PDF Downloads 335