Search results for: quantum information theory

Authors: I. McAndrew, K. L. Witcher, E. Navarro

Abstract:

This paper presents the theory and application of low speed flight for unmanned aerial vehicles when subjected to surface environmental conditions such as ice on the leading edge and upper surface. A model was developed and tested in a wind tunnel to see how theory compares with practice at various speed including take-off, landing and operational applications where head winds substantially alter parameters. Furthermore, a comparison is drawn with maned operations and how that this subject is currently under supported with accurate theory or knowledge for designers or operators to make informed decision or accommodate individual applications. The effects of ice formation for lift and drag are determined for a range of different angles of attacks.

Keywords: aerodynamics, low speed flight, unmanned vehicles, environmental influences

Procedia PDF Downloads 436

Authors: Zainab Al-Maamari, Yassir Dinar

Abstract:

The orbit space of an irreducible representation of a finite group is a variety with the ring of invariant polynomials as a coordinate ring. The invariant ring is a polynomial ring if and only if the representation is a reflection representation. Boris Dubrovin shows that the orbits spaces of irreducible real reflection representations acquire the structure of polynomial Frobenius manifolds. Dubrovin's method was also used to construct different examples of Frobenius manifolds on certain reflection representations. By successfully applying Dubrovin’s method on non-polynomial invariant rings of linear representations of dicyclic groups, it gives some results that magnify the relation between invariant theory and Frobenius manifolds.

Keywords: invariant ring, Frobenius manifold, inversion, representation theory

Procedia PDF Downloads 96

Authors: Maxwell Henderson, Tristan Cook, Justin Chan Jin Le, Mark Hodson, YoungJung Chang, John Novak, Daniel Padilha, Nishan Kulatilaka, Ansu Bagchi, Sanjoy Ray, John Kelly

Abstract:

We present a method of using adiabatic quantum optimization (AQO) to solve a mixed integer nonlinear programming (MINLP) problem instance. The MINLP problem is a general form of a set of NP-hard optimization problems that are critical to many business applications. It requires optimizing a set of discrete and continuous variables with nonlinear and potentially nonconvex constraints. Obtaining an exact, optimal solution for MINLP problem instances of non-trivial size using classical computation methods is currently intractable. Current leading algorithms leverage heuristic and divide-and-conquer methods to determine approximate solutions. Creating more accurate and efficient algorithms is an active area of research. Quantum computing (QC) has several theoretical benefits compared to classical computing, through which QC algorithms could obtain MINLP solutions that are superior to current algorithms. AQO is a particular form of QC that could offer more near-term benefits compared to other forms of QC, as hardware development is in a more mature state and devices are currently commercially available from D-Wave Systems Inc. It is also designed for optimization problems: it uses an effect called quantum tunneling to explore all lowest points of an energy landscape where classical approaches could become stuck in local minima. Our work used a novel algorithm formulated for AQO to solve a special type of MINLP problem. The research focused on determining: 1) if the problem is possible to solve using AQO, 2) if it can be solved by current hardware, 3) what the currently achievable performance is, 4) what the performance will be on projected future hardware, and 5) when AQO is likely to provide a benefit over classical computing methods. Two different methods, integer range and 1-hot encoding, were investigated for transforming the MINLP problem instance constraints into a mathematical structure that can be embedded directly onto the current D-Wave architecture. For testing and validation a D-Wave 2X device was used, as well as QxBranch’s QxLib software library, which includes a QC simulator based on simulated annealing. Our results indicate that it is mathematically possible to formulate the MINLP problem for AQO, but that currently available hardware is unable to solve problems of useful size. Classical general-purpose simulated annealing is currently able to solve larger problem sizes, but does not scale well and such methods would likely be outperformed in the future by improved AQO hardware with higher qubit connectivity and lower temperatures. If larger AQO devices are able to show improvements that trend in this direction, commercially viable solutions to the MINLP for particular applications could be implemented on hardware projected to be available in 5-10 years. Continued investigation into optimal AQO hardware architectures and novel methods for embedding MINLP problem constraints on to those architectures is needed to realize those commercial benefits.

Keywords: adiabatic quantum optimization, mixed integer nonlinear programming, quantum computing, NP-hard

Procedia PDF Downloads 523

Authors: James Kinsella

Abstract:

There is currently very little understanding of how the interaction between in- vestors, consumers, the firms (agents) affect a) the transmission of information, and b) the creation and transfer of value and wealth between these two groups. Employing scholarly ideas from multiple research areas (behavioural finance, emotional finance, econo-biology, and game theory) we develop a conceptual the- oretic model (the ‘bow-tie’ model) as a framework for considering this interaction. Our bow-tie model views information transfer, value and wealth creation, and transfer through the lens of “investor-consumer connection facilitated through the communicative medium of the ‘firm’ (agents)”. We confront our bow-tie model with theoretical and practical examples. Next, we utilise consumer and business confidence data alongside index data, to conduct quantitative analy- sis, to support our bow-tie concept, and to introduce the concept of “investor- consumer connection”. We highlight the importance of information persuasiveness, knowledge, and emotional categorization of characteristics in facilitating a communicative relationship between investors, consumers, and the firm (agents), forming academic and practical applications of the conceptual bow-tie model, alongside applications to wider instances, such as those seen within the Covid-19 pandemic.

Keywords: behavioral finance, emotional finance, economy-biology, social mood

Procedia PDF Downloads 123

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method show good agreement with xperimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. the intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide

Procedia PDF Downloads 546

Authors: Muhammad Sheraz, Vasile Preda, Silvia Dedu

Abstract:

Concepts of econophysics are usually used to solve problems related to uncertainty and nonlinear dynamics. In the theory of option pricing the risk neutral probabilities play very important role. The application of entropy in finance can be regarded as the extension of both information entropy and the probability entropy. It can be an important tool in various financial methods such as measure of risk, portfolio selection, option pricing and asset pricing. Gulko applied Entropy Pricing Theory (EPT) for pricing stock options and introduced an alternative framework of Black-Scholes model for pricing European stock option. In this article, we present solutions to maximum entropy problems based on Tsallis, Weighted-Tsallis, Kaniadakis, Weighted-Kaniadakies entropies, to obtain risk-neutral densities. We have also obtained the value of European call and put in this framework.

Keywords: option pricing, Black-Scholes model, Tsallis entropy, Kaniadakis entropy, weighted entropy, risk-neutral density

Procedia PDF Downloads 300

Authors: Ulrica Pettersson

Abstract:

Collection of information on incidents is regularly done through pre-printed incident report forms. These tend to be incomplete and frequently lack essential information. ne consequence is that reports with inadequate information, that do not fulfil analysts’ requirements, are transferred into the analysis process. To improve an incident reporting form, theory in design science, witness psychology and interview and questionnaire research has been used. Previously three experiments have been conducted to evaluate the form and shown significant improved results. The form has proved to capture knowledge, regardless of the incidents’ character or context. The aim in this paper is to describe how design science, in more detail a design hierarchy can be used to construct a collection form for improvements in safety science.

Keywords: data collection, design science, incident reports, safety science

Procedia PDF Downloads 222

Authors: Haw-Long Lee, Win-Jin Chang, Yu-Ching Yang

Abstract:

In the paper, the coupled equation of motion for the dynamic displacement of a fullerene moving in a (10,10) single-walled carbon nanotube (SWCNT) is derived using nonlocal Timoshenko beam theory, including the effects of rotary inertia and shear deformation. The effects of confined stiffness between the fullerene and nanotube, foundation stiffness, and nonlocal parameter on the dynamic behavior are analyzed using the Runge-Kutta Method. The numerical solution is in agreement with the analytical result for the special case. The numerical results show that increasing the confined stiffness and foundation stiffness decrease the dynamic displacement of SWCNT. However, the dynamic displacement increases with increasing the nonlocal parameter. In addition, result using the Euler beam theory and the Timoshenko beam theory are compared. It can be found that ignoring the effects of rotary inertia and shear deformation leads to an underestimation of the displacement.

Keywords: single-walled carbon nanotube, nanoparticle delivery, Nonlocal Timoshenko beam theory, Runge-Kutta Method, Van der Waals force

Procedia PDF Downloads 376

Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

Procedia PDF Downloads 337

Authors: Ruchi Agarwal

Abstract:

In today’s world, companies are operating in dynamic, uncertain and ambiguous business environments. Globally, more companies are failing due to Environmental, Social and Governance (ESG) factors than ever. Corporate governance and risk management are intertwined in nature. For decades, corporate governance and risk management have been influenced by internal and external factors. Three schools of thought have influenced risk governance for decades: Agency theory, Contingency theory, and Institutional theory. Agency theory argues that agents have interests conflicting with principal interests and the information problem. Contingency theory suggests that risk management adoption is influenced by internal and external factors, while Institutional theory suggests that organizations legitimize risk management with regulators, competitors, and professional bodies. The conflicting objectives of theories have created problems for executives in organizations in the adoption of Risk Governance. So far, there are many studies that discussed risk culture and the role of actors in risk governance, but there are rare studies discussing the role of risk culture in the adoption of risk governance from a leadership style perspective. This study explores the adoption of risk governance in two contrasting industries, such as the Insurance and energy business, to understand whether risk governance is influenced by internal/external factors or whether risk culture is influenced by leaders. We draw empirical evidence by comparing the cases of an Indian insurance company and a renewable energy-based firm in India. We interviewed more than 20 senior executives of companies and collected annual reports, risk management policies, and more than 10 PPTs and other reports from 2017 to 2024. We visited the company for follow-up questions several times. The findings of my research revealed that both companies have used risk governance for strategic renewal of the company. Insurance companies use a transactional leadership style based on performance and reward for improving risk, while energy companies use rather symbolic management to make debt restructuring meaningful for stakeholders. Overall, both companies turned from loss-making to profitable ones in a few years. This comparative study highlights the role of different leadership styles in the adoption of risk governance. The study is also distinct as previous research rarely studied risk governance in two contrasting industries in reference to leadership styles.

Keywords: leadership style, corporate governance, risk management, risk culture, strategic renewal

Procedia PDF Downloads 41

Authors: S. V. Boroznin, I. V. Zaporotskova, N. P. Polikarpova

Abstract:

Studing of nanotubes sorption properties is very important for researching. These processes for carbon and boron nanotubes described in the high number of papers. But the sorption properties of boron containing nanotubes, susch as BC3-nanotubes haven’t been studied sufficiently yet. In this paper we present the results of theoretical research into the mechanism of atomic surface adsorption on the two types of boron-carbon nanotubes (BCNTs) within the framework of an ionic-built covalent-cyclic cluster model and an appropriately modified MNDO quantum chemical scheme and DFT method using B3LYP functional with 6-31G basis. These methods are well-known and the results, obtained using them, were in good agreement with the experiment. Also we studied three position of atom location above the nanotube surface. These facts suggest us to use them for our research and quantum-chemical calculations. We studied the mechanism of sorption of Cl, O and F atoms on the external surface of single-walled BC3 arm-chair nanotubes. We defined the optimal geometry of the sorption complexes and obtained the values of the sorption energies. Analysis of the band structure suggests that the band gap is insensitive to adsorption process. The electron density is located near atoms of the surface of the tube. Also we compared our results with others, which have been obtained earlier for pure carbon and boron nanotubes. The most stable adsorption complex has been between boron-carbon nanotube and oxygen atom. So, it suggests us to make a research of oxygen molecule adsorption on the BC3 nanotube surface. We modeled five variants of molecule orientation above the nanotube surface. The most stable sorption complex has been defined between the oxygen molecule and nanotube when the oxygen molecule is located above the nanotube surface perpendicular to the axis of the tube.

Keywords: Boron-carbon nanotubes, nanostructures, nanolayers, quantum-chemical calculations, nanoengineering

Procedia PDF Downloads 313

Authors: Abu Afree Andalib, M. Mezbah Uddin, M. Rafiur Rahman, M. Abir Hossain, Rajia Sultana Kamol

Abstract:

This paper deals with the analysis of flow past the marine turbine blade which is designed by using the blade element theory and momentum theory for the purpose of using in the field of renewable energy. The designed blade is analyzed for various parameters using FSI module of Ansys. Computational Fluid Dynamics is used for the study of fluid flow past the blade and other fluidic phenomena such as lift, drag, pressure differentials, energy dissipation in water. Finite Element Analysis (FEA) module of Ansys was used to analyze the structural parameter such as stress and stress density, localization point, deflection, force propagation. Fine mesh is considered in every case for more accuracy in the result according to computational machine power. The relevance of design, search and optimization with respect to complex fluid flow and structural modeling is considered and analyzed. The relevancy of design and optimization with respect to complex fluid for minimum drag force using Ansys Adjoint Solver module is analyzed as well. The graphical comparison of the above-mentioned parameter using CFD and FEA and subsequently FSI technique is illustrated and found the significant conformity between both the results.

Keywords: blade element theory, computational fluid dynamics, finite element analysis, fluid-structure interaction, momentum theory

Procedia PDF Downloads 299

Authors: Shiying Fan, Xinyong Li

Abstract:

The development of highly efficient multifunctional catalytic materials towards HER, ORR and Photo-fuel cell applications in terms of combined electrochemical and photo-electrochemical principles have currently confronted with dire challenges. In this study, novel palladium (Pd) and ruthenium (Ru) Bimetal Quantum Dots (BQDs) co-anchored on Titania nanotube (NTs) arrays electrodes have been successfully constructed by facial two-step electrochemical strategy. Double Schottky junctions with superior performance in electrocatalytic (EC) hydrogen generations and solar fuel cell energy conversions (PE) have been found. Various physicochemical techniques including UV-vis spectroscopy, TEM/EDX/HRTEM, SPV/TRV and electro-chemical strategy including EIS, C-V, I-V, and I-T, etc. were chronically utilized to systematically characterize the crystal-, electronic and micro-interfacial structures of the composites with double Schottky junction, respectively. The characterizations have implied that the marvelous enhancement of separation efficiency of electron-hole pairs generations is mainly caused by the Schottky-barriers within the nanocomposites, which would greatly facilitate the interfacial charge transfer for H₂ generations and solar fuel cell energy conversions. Moreover, the DFT calculations clearly indicated that the oriented growth of Ru and Pd bimetal atoms at the anatase (101) surface is mainly driven by the interaction between Ru/Pd and surface atoms, and the most active site for bimetal Ru and Pd adatoms on the perfect TiO₂ (101) surface is the 2cO-6cTi-3cO bridge sites and the 2cO-bridge sites with the highest adsorption energy of 9.17 eV. Furthermore, the electronic calculations show that in the nanocomposites, the number of impurity (i.e., co-anchored Ru-Pd BQDs) energy levels near Fermi surface increased and some were overlapped with original energy level, promoting electron energy transition and reduces the band gap. Therefore, this work shall provide a deeper insight for the molecular design of Bimetal Quantum Dots (BQDs) assembled onto Tatiana NTs composites with superior performance for electrocatalytic hydrogen productions and solar fuel cell energy conversions (PE) simultaneously.

Keywords: eletrocatalytic, Ru-Pd bimetallic quantum dots, titania nanotube arrays, double Schottky junctions, hydrogen production

Procedia PDF Downloads 141

Authors: Felsy J. Sandi

Abstract:

There is a potential of growth in the spa industry due to the influx of domestic and international tourist coming to Sabah, Malaysia. It is a good opportunity to venture into this industry for the country’s economic future growth, and therefore, it is essential for this area to be researched. Being one of the fastest growing industries in the world, has led to enormous challenges, which need to be addressed. Malaysia is also riding with this phenomenon. The President of the Malaysian Association of Wellness and Spa stated that the misconception about the Spa industry’s image, especially amongst the elderly is the biggest challenge faced by the industry, as they perceived the spa industry is equivalent to a prostitution center. Therefore, the objective of this study is to explore the issue by analyzing whether image can be added in the theory of planned behavior to better understand the consumer’s intention to visit, in the spa context. The Theory of Planned Behavior by Ajzen, a theory or model in predicting intention, has three constructs; such as Attitude as the first construct, the second construct is Subjective Norm and the third construct is Perceived Behavioral Control. Qualitative research is used as this is an exploratory research. The site of study will be at Jari Jari Spa, located in Kota Kinabalu, the only spa in Sabah that was awarded as the Center of Excellence (CoE) by the Ministry of Tourism and Culture in Malaysia. The findings propose to provide useful information to the relevant stakeholders on ways to approach local customers to convince them to visit the spa and for spa marketers to help them develop and design effective marketing strategies. Future investigation should consider more on the perception and loyalty of the local customers.

Keywords: consumer's perception, image, local customer, spa, visit intention

Procedia PDF Downloads 265

Authors: Phalaunnaphat Siriwongs

Abstract:

The classroom of the 21st century is an ever-changing forum for new and innovative thoughts and ideas. With increasing technology and opportunity, students have rapid access to information that only decades ago would have taken weeks to obtain. Unfortunately, new techniques and technology are not a cure for the fundamental problems that have plagued the classroom ever since education was established. Class size has been an issue long debated in academia. While it is difficult to pinpoint an exact number, it is clear that in this case, more does not mean better. By looking into the success and pitfalls of classroom size, the true advantages of smaller classes becomes clear. Previously, one class was comprised of 50 students. Since they were seventeen- and eighteen-year-old students, it was sometimes quite difficult for them to stay focused. To help students understand and gain much knowledge, a researcher introduced “The Theory of Multiple Intelligence” and this, in fact, enabled students to learn according to their own learning preferences no matter how they were being taught. In this lesson, the researcher designed a cycle of learning activities involving all intelligences so that everyone had equal opportunities to learn.

Keywords: multiple intelligences, role play, performance assessment, formative assessment

Procedia PDF Downloads 279

Authors: Gabriella Dravecz, László Péter, Zsolt Kis

Abstract:

Abstract— The growth of optical LiNbO3 single crystal and its physical and chemical properties are well known on the macroscopic scale. Nowadays the rare-earth doped single crystals became important for coherent quantum optical experiments: electromagnetically induced transparency, slow down of light pulses, coherent quantum memory. The expansion of applications is increasingly requiring the production of nano scaled LiNbO3 particles. For example, rare-earth doped nanoscaled particles of lithium niobate can be act like single photon source which can be the bases of a coding system of the quantum computer providing complete inaccessibility to strangers. The polyol method is a chemical synthesis where oxide formation occurs instead of hydroxide because of the high temperature. Moreover the polyol medium limits the growth and agglomeration of the grains producing particles with the diameter of 30-200 nm. In this work nano scaled LiNbO3 was prepared by the polyol method. The starting materials (niobium oxalate and LiOH) were diluted in H2O2. Then it was suspended in ethylene glycol and heated up to about the boiling point of the mixture with intensive stirring. After the thermal equilibrium was reached, the mixture was kept in this temperature for 4 hours. The suspension was cooled overnight. The mixture was centrifuged and the particles were filtered. Dynamic Light Scattering (DLS) measurement was carried out and the size of the particles were found to be 80-100 nms. This was confirmed by Scanning Electron Microscope (SEM) investigations. The element analysis of SEM showed large amount of Nb in the sample. The production of LiNbO3 nano particles were succesful by the polyol method. The agglomeration of the particles were avoided and the size of 80-100nm could be reached.

Keywords: lithium-niobate, nanoparticles, polyol, SEM

Procedia PDF Downloads 130

Authors: K. E. Oyetade, S. D. Eyono Obono

Abstract:

One of the fundamental characteristics of Information and Communication Technology (ICT) has been the ever-changing nature of continuous release and models of ICTs with its impact on the academic, social, and psychological benefits of its introduction in schools. However, there seems to be a growing concern about its negative impact on students when introduced early in schools for teaching and learning. This study aims to design a model of child development factors affecting the early introduction of ICTs in schools in an attempt to improve the understanding of child development and introduction of ICTs in schools. The proposed model is based on a sound theoretical framework. It was designed following a literature review of child development theories and child development factors. The child development theoretical framework that fitted to the best of all child development factors was then chosen as the basis for the proposed model. This study hence found that the Jean Piaget cognitive developmental theory is the most adequate theoretical frameworks for modeling child development factors for ICT introduction in schools.

Keywords: child development factors, child development theories, ICTs, theory

Procedia PDF Downloads 408

Authors: Yusra Yahya

Abstract:

In this paper, a new spell-out mechanism is developed and defended. This mechanism builds on the role of phase heads as both the loci of spell-out features and the transfer triggers via either Phase Impenetrability Condition 1 (PIC1) and/or Phase Impenetrability Condition 2 (PIC2). The assumption here is that phase heads, mainly v*, can regulate the spell-out process by deciding both the type of spell-out applying and the timing of spell-out relevant. This paper also proposes a new form of the constraint Wrap call it Wrap-XP’ and it is assumed to apply to IP as a functional maximal projection. This extension is shown to fall as a natural result once we assume the new theory of phases and multiple spell-out. Moreover, it is proposed in this work that some forms of XP movement are not motivated by an EPP feature of a strong phase head mainly v*, but they are rather motivated by a last resort strategy to accomplish the spell-out instruction of this phase head.

Keywords: linguistics, syntax, phonology, phase theory, optimality theory

Procedia PDF Downloads 510

Authors: Mahalingam Palaniandi

Abstract:

Higher education plays vital role in the nation building process for a country and the rest of world. The higher education sector develops the change-agents for the various fields which will help the human-kind wheel to run further. Conventional and traditional class-room based learning and teaching was followed in many decades which is one-to-one and one-to-many. In a way, these are simplest form of learners to be assembled in a class room wherein the teacher used the blackboard to demonstrate the theory and laboratories used for practical. As the technology evolved tremendously for the last 40 years, the teaching and learning environment changed slowly, wherein, the learning community will be anywhere in the world and teacher deliver the content through internet based tools such as video conferencing, web based conferencing tools or E-learning platforms such as Blackboard or noodle. Present day, the mobile technologies plays an important tool to deliver the teaching content on-the-go. Both PC based and mobile based learning technology brought the learning and teaching community together in various aspects. However, as the learning technology also brought various hurdles for learning processes such as plagiarism and not using the reference books entirely as most of the students wants the information instantaneously using internet without actually going to the library to take the notes from the millions of the books which are not available online as e-books which result lack of fundamental knowledge of the concepts complex theories. However, technology is inseparable in human life, now-a-days and every part of it contains piece of information technology right from computers to home appliances. To make use of the IT based learning and teaching at most efficiency, we should have a proper framework and recommendations laid to the learning community in order to derive the maximum efficiency from the IT based teaching and leaning. This paper discusses various IT based tools available for the learning community, efficiency from its usage and recommendations for the suitable framework that needs to be implemented at higher education institutions which makes the learners stronger in both theory as well as real-time knowledge of their studies that is going to be used in their future for the better world.

Keywords: higher education, e-learning, teaching learning, eLearning tools

Procedia PDF Downloads 424

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G(d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G(d,p) method show good agreement with experimental X-ray data. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide, polarizability

Procedia PDF Downloads 323

Authors: Sylvia Tumelo Nthutang, Nehemiah Mavetera

Abstract:

Educational institutions are under pressure from their competitors. Regulators and community groups need educational institutions to adopt appropriate business and organizational practices. Globally, educational institutions are now using e-learning as the best teaching and learning approach. E-learning is becoming the center of attention to the learning institutions, educational systems and software inventors. North-West University (NWU) is currently using eFundi, a Learning Management System (LMS). LMS are all information systems and procedures that adds value to students learning and support the learning material in text or any multimedia files. With various e-learning tools, students would be able to access all the materials related to the course in electronic copies. The study was tasked with identifying the e-learning components at the NWU, Mafikeng campus. Quantitative research methodology was considered in data collection and descriptive statistics for data analysis. The Activity Theory (AT) was used as a theory to guide the study. AT outlines the limitations amongst e-learning at the macro-organizational level (plan, guiding principle, campus-wide solutions) and micro-organization (daily functioning practice, collaborative transformation, specific adaptation). On a technological environment, AT gives people an opportunity to change from concentrating on computers as an area of concern but also understand that technology is part of human activities. The findings have identified the university’s current IT tools and knowledge on e-learning elements. It was recommended that university should consider buying computer resources that consumes less power and practice e-learning effectively.

Keywords: e-learning, information and communication technology (ICT), teaching, virtual learning environment

Procedia PDF Downloads 276

Authors: Min Wei

Abstract:

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 129

Authors: Siriporn Poolsuwan

Abstract:

This research aims to explore the information needs, information usages, and problems of information usage of the older people club’s members in Dusit District, Bangkok. There are 12 clubs and 746 club’s members in this district. The research results use for older person service in this district. Data is gathered from 252 club’s members by using questionnaires. The quantitative approach uses in research by percentage, means and standard deviation. The results are as follows (1) The older people need Information for entertainment, occupation and academic in the field of short story, computer work, and religion and morality. (2) The participants use Information from various sources. (3) The Problem of information usage is their language skills because of the older people’s literacy problem.

Keywords: information behavior, older person, information seeking, knowledge discovery and data mining

Procedia PDF Downloads 267

Authors: Yohei Saika

Abstract:

On the basis of Bayesian inference using the maximizer of the posterior marginal estimate, we carry out phase unwrapping using multiple interferograms via generalized mean-field theory. Numerical calculations for a typical wave-front in remote sensing using the synthetic aperture radar interferometry, phase diagram in hyper-parameter space clarifies that the present method succeeds in phase unwrapping perfectly under the constraint of surface- consistency condition, if the interferograms are not corrupted by any noises. Also, we find that prior is useful for extending a phase in which phase unwrapping under the constraint of the surface-consistency condition. These results are quantitatively confirmed by the Monte Carlo simulation.

Keywords: Bayesian inference, generalized mean-field theory, phase unwrapping, multiple interferograms, statistical mechanics

Procedia PDF Downloads 477

Authors: Frederic Henry-Couannier

Abstract:

Dark Gravity is a natural extension of general relativity in presence of a flat non dynamical background. Matter and radiation fields from its dark sector, as soon as their gravity dominates over our side fields gravity, produce a constant acceleration law of the scale factor. After a brief reminder of the Dark Gravity theory foundations, the confrontation with the main cosmological probes is carried out. We show that, amazingly, the sudden transition between the usual matter dominated decelerated expansion law a(t) ∝ t²/³ and this accelerated expansion law a(t) ∝ t² predicted by the theory should be able to fit the main cosmological probes (SN, BAO, CMB and age of the oldest stars data) but also direct H₀ measurements with two free parameters only: H₀ and the transition redshift.

Keywords: anti-gravity, negative energies, time reversal, field discontinuities, dark energy theory

Procedia PDF Downloads 52

Authors: Gayathri Devi V, Aravamudan Kannan, Amit Sircar

Abstract:

In the inner fuel cycle system of a nuclear fusion reactor, the Hydrogen Isotopes Removal System (HIRS) plays a pivoted role. It enables the effective extraction of the hydrogen isotopes from the breeder purge gas which helps to maintain the tritium breeding ratio and sustain the fusion reaction. One of the components of HIRS, Cryogenic Molecular Sieve Bed (CMSB) columns with zeolites adsorbents are considered for the physisorption of hydrogen isotopes at 1 bar and 77 K. Even though zeolites have good thermal stability and reduced activation properties making them ideal for use in nuclear reactor applications, their modest capacity for hydrogen isotopes adsorption is a cause of concern. In order to enhance the adsorbent capacity in an informed manner, it is helpful to understand the adsorption phenomena at the quantum electronic structure level. Physicochemical modifications of the adsorbent material enhances the adsorption capacity through the incorporation of active sites. This may be accomplished through the incorporation of suitable metal ions in the zeolite framework. In this work, molecular hydrogen isotopes adsorption on the active sites of functionalized zeolites are investigated in detail using Density Functional Theory (DFT) study. This involves the utilization of hybrid Generalized Gradient Approximation (GGA) with dispersion correction to account for the exchange and correlation functional of DFT. The electronic energies, adsorption enthalpy, adsorption free energy, Highest Occupied Molecular Orbital (HOMO), Lowest Unoccupied Molecular Orbital (LUMO) energies are computed on the stable 8T zeolite clusters as well as the periodic structure functionalized with different active sites. The characteristics of the dihydrogen bond with the active metal sites and the isotopic effects are also studied in detail. Validation studies with DFT will also be presented for adsorption of hydrogen on metal ion functionalized zeolites. The ab-inito screening analysis gave insights regarding the mechanism of hydrogen interaction with the zeolites under study and also the effect of the metal ion on adsorption. This detailed study provides guidelines for selection of the appropriate metal ions that may be incorporated in the zeolites framework for effective adsorption of hydrogen isotopes in the HIRS.

Keywords: adsorption enthalpy, functionalized zeolites, hydrogen isotopes, nuclear fusion, physisorption

Procedia PDF Downloads 178

Authors: Durvi Yogesh Vagani

Abstract:

This research paper explores the effectiveness of Research-informed teaching and Case-based teaching in enhancing the retention and recall of memory during discussions among university students. Additionally, it investigates the impact of using Artificial Intelligence (AI) tools on the quality of research conducted by students and its correlation with better recollection. The study hypothesizes that Case-based teaching will lead to greater recall and storage of information. The research gap in the use of AI in educational settings, particularly with actual participants, is addressed by leveraging a multi-method approach. The hypothesis is that the use of AI, such as ChatGPT and Bard, would lead to better retention and recall of information. Before commencing the study, participants' attention levels and IQ were assessed using the Digit Span Test and the Wechsler Adult Intelligence Scale, respectively, to ensure comparability among participants. Subsequently, participants were divided into four conditions, each group receiving identical information presented in different formats based on their assigned condition. Following this, participants engaged in a group discussion on the given topic. Their responses were then evaluated against a checklist. Finally, participants completed a brief test to measure their recall ability after the discussion. Preliminary findings suggest that students who utilize AI tools for learning demonstrate improved grasping of information and are more likely to integrate relevant information into discussions compared to providing extraneous details. Furthermore, Case-based teaching fosters greater attention and recall during discussions, while Research-informed teaching leads to greater knowledge for application. By addressing the research gap in AI application in education, this study contributes to a deeper understanding of effective teaching methodologies and the role of technology in student learning outcomes. The implication of the present research is to tailor teaching methods based on the subject matter. Case-based teaching facilitates application-based teaching, and research-based teaching can be beneficial for theory-heavy topics. Integrating AI in education. Combining AI with research-based teaching may optimize instructional strategies and deepen learning experiences. This research suggests tailoring teaching methods in psychology based on subject matter. Case-based teaching suits practical subjects, facilitating application, while research-based teaching aids understanding of theory-heavy topics. Integrating AI in education could enhance learning outcomes, offering detailed information tailored to students' needs.

Keywords: artificial intelligence, attention, case-based teaching, memory recall, memory retention, research-informed teaching

Procedia PDF Downloads 18

Authors: Rafael Alexandre Dos Reis

Abstract:

Research has shown a substantial increase in the participation of Conventionally Fuelled Vehicles (CFVs) in the urban transport modal split. The reasons for this unsustainable reality are multiple, from economic interventions to individual behaviour. The development and delivery of positive incentives for the adoption of more environmental-friendly modes of transport is an emerging strategy to help in tackling the problem of excessive use of conventionally fuelled vehicles. The efficiency of this approach, like other information-based schemes, can benefit from the knowledge of their potential impacts in theoretical constructs of multiple behaviour change theories. The goal of this research is to critically analyse theories of behaviour that are relevant to transport research and the impacts of positive incentives on the theoretical determinants of behaviour, strengthening the current body of evidence about the benefits of this approach. The main method to investigate this will involve a literature review on two main topics: the current theories of behaviour that have empirical support in transport research and the past or ongoing positive incentives programs that had an impact on car use reduction. The reviewed programs of positive incentives were the following: The TravelSmart®; Spitsmijden®; Incentives for Singapore Commuters® (INSINC); COMMUTEGREENER®; MOVESMARTER®; STREETLIFE®; SUPERHUB®; SUNSET® and the EMPOWER® project. The theories analysed were the heory of Planned Behaviour (TPB); The Norm Activation Theory (NAM); Social Learning Theory (SLT); The Theory of Interpersonal Behaviour (TIB); The Goal-Setting Theory (GST) and The Value-Belief-Norm Theory (VBN). After the revisions of the theoretical constructs of each of the theories and their influence on car use, it can be concluded that positive incentives schemes impact on behaviour change in the following manners: -Changing individual’s attitudes through informational incentives; -Increasing feelings of moral obligations to reduce the use of CFVs; -Increase the perceived social pressure to engage in more sustainable mobility behaviours through the use of comparison mechanisms in social media, for example; -Increase the perceived control of behaviour through informational incentives and training incentives; -Increasing personal norms with reinforcing information; -Providing tools for self-monitoring and self-evaluation; -Providing real experiences in alternative modes to the car; -Making the observation of others’ car use reduction possible; -Informing about consequences of behaviour and emphasizing the individual’s responsibility with society and the environment; -Increasing the perception of the consequences of car use to an individual’s valued objects; -Increasing the perceived ability to reduce threats to environment; -Help establishing goals to reduce car use; - iving personalized feedback on the goal; -Increase feelings of commitment to the goal; -Reducing the perceived complexity of the use of alternatives to the car. It is notable that the emerging technique of delivering positive incentives are systematically connected to causal determinants of travel behaviour. The preliminary results of the reviewed programs evidence how positive incentives might strengthen these determinants and help in the process of behaviour change.

Keywords: positive incentives, private car use reduction, sustainable behaviour, voluntary travel behaviour change

Procedia PDF Downloads 336

Authors: Saurabh Basu, Sudin Ganguly

Abstract:

Conductance in graphene nanoribbons (GNR) in presence of magnetic (for example, Iron) and non-magnetic (for example, Gold) adatoms are explored theoretically within a Kane-Mele model for their possible spintronic applications and topologically non-trivial properties. In our work, we have considered the magnetic adatoms to induce a Rashba spin-orbit coupling (RSOC) and an exchange bias field, while the non-magnetic ones induce an RSOC and an intrinsic spin-orbit (SO) coupling. Even though RSOC is present in both, they, however, represent very different physical situations, where the magnetic adatoms do not preserve the time reversal symmetry, while the non-magnetic case does. This has important implications on the topological properties. For example, the non-magnetic adatoms, for moderately strong values of SO, the GNR denotes a quantum spin Hall insulator as evident from a 2e²/h plateau in the longitudinal conductance and presence of distinct conducting edge states with an insulating bulk. Since the edge states are protected by time reversal symmetry, the magnetic adatoms in GNR yield trivial insulators and do not possess any non-trivial topological property. However, they have greater utility than the non-magnetic adatoms from the point of view of spintronic applications. Owing to the broken spatial symmetry induced by the presence of adatoms of either type, all the x, y and z components of the spin-polarized conductance become non-zero (only the y-component survives in pristine Graphene owing to a mirror symmetry present there) and hence become suitable for spintronic applications. However, the values of the spin polarized conductances are at least two orders of magnitude larger in the case of magnetic adatoms than their non-magnetic counterpart, thereby ensuring more efficient spintronic applications. Further the applications are tunable by altering the adatom densities.

Keywords: magnetic and non-magnetic adatoms, quantum spin hall phase, spintronic applications, spin polarized conductance, time reversal symmetry

Procedia PDF Downloads 299

Authors: Qian Zaijian

Abstract:

E-government is one of the hot issues in the current academic research of public policy and management. As the organic integration of information and communication technology (ICT) and public administration, e-government is one of the most important areas in contemporary information society. Policy information system is a basic subsystem of public policy system, its operation affects the overall effect of the policy process or even exerts a direct impact on the operation of a public policy and its success or failure. The basic principle of its operation is information collection, processing, analysis and release for a specific purpose. The function of E-government for public policy information system lies in the promotion of public access to the policy information resources, information transmission through e-participation, e-consultation in the process of policy analysis and processing of information and electronic services in policy information stored, to promote the optimization of policy information systems. However, due to many factors, the function of e-government to promote policy information system optimization has its practical limits. In the building of E-government in our country, we should take such path as adhering to the principle of freedom of information, eliminating the information divide (gap), expanding e-consultation, breaking down information silos and other major path, so as to promote the optimization of public policy information systems.

Keywords: China, e-consultation, e-democracy, e-government, e-participation, ICTs, public policy information systems

Procedia PDF Downloads 859