Search results for: Eigen Face

Authors: Farzaneh Noori

Abstract:

Entrepreneurs face different sort of difficulties especially with customers, organizations and employees. Emotional intelligence which is the ability to understand and control the emotions is an important factor to help entrepreneurs end up challenges to the result they prefer. So it is assumed that entrepreneurs especially those who have passed the first challenging years of starting a new business, have high emotional intelligence. In this study the Iranian established entrepreneurs have been surveyed. According to Iran Gem 2014 report the percentage of established entrepreneur in Iran is 10.92%. So by using Cochran sample formula (1%) 96 Iranian established entrepreneurs have been selected and Emotional intelligence appraisal questionnaire distributed to them. The SPSS19 result shows high emotional intelligence in Iranian established entrepreneurs.

Keywords: Emotional intelligence, Emotional intelligence appraisal questionnaire, Entrepreneurs, Iran.

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Authors: Daniel Chen, George Mamic, Clinton Fookes, Sridha Sridharan

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An automatic method for the extraction of feature points for face based applications is proposed. The system is based upon volumetric feature descriptors, which in this paper has been extended to incorporate scale space. The method is robust to noise and has the ability to extract local and holistic features simultaneously from faces stored in a database. Extracted features are stable over a range of faces, with results indicating that in terms of intra-ID variability, the technique has the ability to outperform manual landmarking.

Keywords: Scale space volume descriptor, feature extraction, 3D facial landmarking

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Authors: Osamah A. Alsayegh

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Kuwait-s electric power system is vertically integrated organization owned and operated by the government. For more than five decades, the government of Kuwait has provided relatively reliable electric services to consumers with subsidized electric service fees. Given the country-s rapid socio-economical development and consequently the increase of electricity demand, a question that inflicts itself: Is it necessary to reform the power system to face the fast growing demand? This paper recommends that the government should consider the private sector as a partner in operating the power system. Therefore, power system restructuring is needed to allow such partnership. There are challenges that prevent such restructuring. Abstract recommendations toward resolving these challenges are proposed.

Keywords: Deregulation, electricity market, ISO, private sector.

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Authors: Chizoba Chinweze, Gwen Abiola-Oloke, Chike Jideani

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There is an urgent need to conserve the biological diversity of the Nigerian Environment for the future and present generation in the face of current energy resources development. This paper gives an in-depth analysis of the impact of oil and gas activities on the biological diversity of the Nigerian Niger Delta area and its consequences on the sustainable development of the host communities as it relates to their social, economic and environmental issues, particularly on the womenfolk who are the key managers of environmental resources. Also reviewed is the frustration of these communities that is reflected in unending conflicts.

Keywords: Biodiversity, energy resources, sustainable development, and women issues.

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Authors: Dhongkyu Yoon

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Environmental statistics reveals that the pollution of acid rain in South Korea is a serious issue. Yet the awareness of people is low. Even after a gradual decrease of pollutant emission in Korea, the acidity has not been reduced. There no boundaries in the atmosphere are set and the influence of the neighboring countries such as China is apparent. Governmental efforts among China, Japan and Korea have been made on this issue. However, not much progress has been observed. Along with the governmental activities, therefore, an active monitoring of the pollution among the countries and the promotion of environmental awareness at the civil level including especially the middle and high schools are highly recommended. It will be this young generation who will face damaged country as inheritance not the current generation.

Keywords: acid rain, international collaboration, pollution, South Korea

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Authors: M. Sharanreddy, P. K. Kulkarni

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Brain tumor is inherently serious and life-threatening disease. Brain tumor builds the intracranial pressure in the brain, by shifting the brain or pushing against the skull, and also damaging nerves and healthy brain tissues. This intracranial pressure affects and interferes with normal brain functionality, which results in generation of abnormal electrical activities from brain. With recent development in the medical engineering and instruments, EEG instruments are able to record the brain electric activities with high accuracy, which establishes EEG as a primary tool for diagnosing the brain abnormalities. Research scholars and general physicians, often face difficulty in understanding EEG patterns. This paper presents the EEG patterns associated with brain tumor by combing medicine theory and neurologist experience. Paper also explains the pros-cons of the EEG based brain tumor identification.

Keywords: Brain tumor, Electroencephalogram (EEG).

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Authors: F. Hadjaj, A. Belghachi, A. Halmaoui, M. Belhadj, H. Mazouz

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A laser is essentially an optical oscillator consisting of a resonant cavity, an amplifying medium and a pumping source. In semiconductor diode lasers, the cavity is created by the boundary between the cleaved face of the semiconductor crystal and air, and has reflective properties as a result of the differing refractive indices of the two media. For a GaAs-air interface a reflectance of 0.3 is typical and therefore the length of the semiconductor junction forms the resonant cavity. To prevent light being emitted in unwanted directions from the junction, sides perpendicular to the required direction are roughened. The objective of this work is to simulate the optical resonator Fabry-Perot and explore its main characteristics, such as FSR, finesse, linewidth, transmission and so on, that describe the performance of resonator.

Keywords: Fabry-Perot Resonator, laser diode.

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Authors: Yucel Ugurlu

Abstract:

This paper explains a novel approach to human interactive e-learning systems using head posture images. Students- face and hair information are used to identify a human presence and estimate the gaze direction. We then define the human-computer interaction level and test the definition using ten students and seventy different posture images. The experimental results show that head posture images provide adequate information for increasing human-computer interaction in e-learning systems.

Keywords: E-learning, image segmentation, human-presence, gaze-direction, human-computer interaction, LabVIEW

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Authors: Hassan A. Sharafuddin, Chekra A. Allani

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Academicians at the Arab Open University have always voiced their concern about the efficacy of the blended learning process. Based on 75% independent study and 25% face-toface tutorial, it poses the challenge of the predisposition to adjustment. Being used to the psychology of traditional educational systems, AOU students cannot be easily weaned from being spoonfed. Hence they lack the motivation to plunge into self-study. For better involvement of AOU students into the learning practices, it is imperative to diagnose the factors that impede or increase their motivation. This is conducted through an empirical study grounded upon observations and tested hypothesis and aimed at monitoring and optimizing the students’ learning outcome. Recommendations of the research will follow the findings.

Keywords: Academic performance, blended learning, educational psychology, independent study, pedagogy.

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Authors: Christina Van Wingerden

Abstract:

This paper focuses on a sense of belonging, isolation, and the use of a learning management system as a “third space” for connection and community. Given student use of learning management systems (LMS) for courses on campuses, moderate to high use of social media and hand-held devices, the author explores the possibilities of LMS as a third space. The COVID-19 pandemic has exacerbated student experiences of isolation, and research indicates that students who experience a sense of belonging have a greater likelihood for academic retention and success. The impacts on students of an LMS designed for student employee orientation and training were examined through a mixed methods approach, including a survey, individual interviews, and focus groups. The sample involved 250-450 undergraduate student employees at a US northwestern university. The goal of the study was to find out the efficiency and effectiveness of the orientation information for a wide range of student employees from multiple student affairs departments. And unexpected finding emerged within the study in 2015 and was noted again as a finding in the 2017 study. Students reported feeling like they individually connected to the department, and further to the university because of the LMS orientation. They stated they could see themselves as part of the university community and like they belonged. The orientation, through the LMS, was designed for and occurred online (asynchronous), prior to students traveling and beginning university life for the academic year. The students indicated connection and belonging resulting from some of the design features. With the onset of COVID-19 and prolonged sheltering in place in North America, as well as other parts of the world, students have been precluded from physically gathering to educate and learn. COVID-19 essentially paused face-to-face education in 2020. Media, governments, and higher education outlets have been reporting on widespread college student stress, isolation, loneliness, and sadness. In this context, the author conducted a current mixed methods study (online survey, online interviews) of students in advanced degree programs, like Ph.D. and Ed.D. specifically investigating isolation and sense of belonging. As a part of the study a prototype of a Canvas site was experienced by student interviewees for their reaction of this Canvas site prototype as a “third” space. Some preliminary findings of this study are presented. Doctoral students in the study affirmed the potential of LMS as a third space for community and social academic connection.

Keywords: COVID-19, learning management systems, sense of belonging, third space.

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Authors: G. Sakar, F. Ç. Bolat

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In this study free vibration analysis of aluminum honeycomb sandwich structures were carried out experimentally and numerically. The natural frequencies and mode shapes of sandwich structures fabricated with different configurations for clamped-free boundary condition were determined. The effects of lower and upper face sheet thickness, the core material thickness, cell diameter, cell angle and foil thickness on the vibration characteristics were examined. The numerical studies were performed with ANSYS package. While the sandwich structures were modeled in ANSYS the continuum model was used. Later, the numerical results were compared with the experimental findings.

Keywords: Sandwich structure, free vibration, numeric analysis, 3D model, continuum model.

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Authors: Huang, Wei-Hsiu Chang, Pei-Chann, Wang, Lien-Chun

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The problems with high complexity had been the challenge in combinatorial problems. Due to the none-determined and polynomial characteristics, these problems usually face to unreasonable searching budget. Hence combinatorial optimizations attracted numerous researchers to develop better algorithms. In recent academic researches, most focus on developing to enhance the conventional evolutional algorithms and facilitate the local heuristics, such as VNS, 2-opt and 3-opt. Despite the performances of the introduction of the local strategies are significant, however, these improvement cannot improve the performance for solving the different problems. Therefore, this research proposes a meta-heuristic evolutional algorithm which can be applied to solve several types of problems. The performance validates BBEA has the ability to solve the problems even without the design of local strategies.

Keywords: Combinatorial problems, Artificial Chromosomes, Blocks Mining, Block Recombination

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Authors: Nada Azhar

Abstract:

This paper is drawn from a wider study of the management of gender, age and disability diversity in the banking sector in the Kingdom of Saudi Arabia (KSA), which aims to develop a framework for diversity management (DM) in this sector. The paper focuses on the management of disability diversity. The purpose of the paper is to assist in understanding disability DM in the banking sector in KSA and to make suggestions for its enhancement. Hence, it contributes to filling a research gap, as there is a dearth of literature on disability DM, in KSA in general, and in the banking sector specifically. Discrimination against people with disabilities is a social issue that has not been entirely overcome in any society. However, in KSA, Islam informs almost every aspect of daily life including work, and Islam is against discrimination. Hence, in KSA, there are regulations to accommodate people with disabilities; however, employers are still free not to hire job applicants with disabilities specifically because of their condition. Indeed, disabled people are almost entirely absent from the labour market. There are 12 Saudi-owned or part-Saudi-owned banks in KSA and two managers from each of these were interviewed, making a total of 24. The interviews aimed to investigate empirically the understanding of managers in the banking sector in KSA of diversity management, including disability DM, in the banking sector. The interview data were analysed using thematic analysis. Two interviewees stated that banks used the employment of people with disabilities to enhance their corporate image, while five expressed the opinion that disabled employees could contribute to the bank provided they did not have to deal with customers face-to-face. Nine of the interviewees perceived that disabled employees could be of value to the bank for their own sake, not only in ‘behind the scenes’ roles. Another two interviewees mentioned that employing disabled people could be part of the bank’s community service programme and one thought it would be part of the bank’s Saudisation efforts. The remaining five interviewees did not know how disabled people could contribute to the bank. The findings show that disability DM in the banking sector in KSA is a relatively new concept, and is not yet well understood. In the light of the findings, in order to achieve the purpose of the paper, the following suggestions were made for the enhancement of disability DM in the banking sector in KSA. A change in attitudes towards disabled people is necessary. Such a change in the workplace can only be achieved if a top-down approach is taken to the integration of disabled people. Hence, it is suggested that management and employees follow a course in disability awareness. Further, a diversity officer in the HR department could enhance the integration of disabled people into the banking workforce. It is also suggested that greater government support is required through closely monitored and enforced anti-discrimination legislation. Moreover, flexible working arrangements such as part-time work would facilitate the employment of disabled people and benefit other groups of employees.

Keywords: Banking, disability, diversity management, Kingdom of Saudi Arabia.

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Authors: Mohammad Javad Mollakazemi, Farhad Asadi

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In this paper a real-time obstacle avoidance approach for both autonomous and non-autonomous dynamical systems (DS) is presented. In this approach the original dynamics of the controller which allow us to determine safety margin can be modulated. Different common types of DS increase the robot’s reactiveness in the face of uncertainty in the localization of the obstacle especially when robot moves very fast in changeable complex environments. The method is validated by simulation and influence of different autonomous and non-autonomous DS such as important characteristics of limit cycles and unstable DS. Furthermore, the position of different obstacles in complex environment is explained. Finally, the verification of avoidance trajectories is described through different parameters such as safety factor.

Keywords: Limit cycles, Nonlinear dynamical system, Real time obstacle avoidance.

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Authors: Al-Amin Bhuiyan, Chang Hong Liu

Abstract:

This paper addresses the development of an intelligent vision system for human-robot interaction. The two novel contributions of this paper are 1) Detection of human faces and 2) Localizing the eye. The method is based on visual attributes of human skin colors and geometrical analysis of face skeleton. This paper introduces a spatial domain filtering method named ?Fuzzily skewed filter' which incorporates Fuzzy rules for deciding the gray level of pixels in the image in their neighborhoods and takes advantages of both the median and averaging filters. The effectiveness of the method has been justified over implementing the eye tracking commands to an entertainment robot, named ''AIBO''.

Keywords: Fuzzily skewed filter, human-robot interface, rmscontrast, skin color segmentation.

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Authors: Malte Brettel, Niklas Friederichsen, Michael Keller, Marius Rosenberg

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The German manufacturing industry has to withstand an increasing global competition on product quality and production costs. As labor costs are high, several industries have suffered severely under the relocation of production facilities towards aspiring countries, which have managed to close the productivity and quality gap substantially. Established manufacturing companies have recognized that customers are not willing to pay large price premiums for incremental quality improvements. As a consequence, many companies from the German manufacturing industry adjust their production focusing on customized products and fast time to market. Leveraging the advantages of novel production strategies such as Agile Manufacturing and Mass Customization, manufacturing companies transform into integrated networks, in which companies unite their core competencies. Hereby, virtualization of the process- and supply-chain ensures smooth inter-company operations providing real-time access to relevant product and production information for all participating entities. Boundaries of companies deteriorate, as autonomous systems exchange data, gained by embedded systems throughout the entire value chain. By including Cyber-Physical-Systems, advanced communication between machines is tantamount to their dialogue with humans. The increasing utilization of information and communication technology allows digital engineering of products and production processes alike. Modular simulation and modeling techniques allow decentralized units to flexibly alter products and thereby enable rapid product innovation. The present article describes the developments of Industry 4.0 within the literature and reviews the associated research streams. Hereby, we analyze eight scientific journals with regards to the following research fields: Individualized production, end-to-end engineering in a virtual process chain and production networks. We employ cluster analysis to assign sub-topics into the respective research field. To assess the practical implications, we conducted face-to-face interviews with managers from the industry as well as from the consulting business using a structured interview guideline. The results reveal reasons for the adaption and refusal of Industry 4.0 practices from a managerial point of view. Our findings contribute to the upcoming research stream of Industry 4.0 and support decision-makers to assess their need for transformation towards Industry 4.0 practices. 

Keywords: Industry 4.0., Mass Customization, Production networks, Virtual Process-Chain.

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Authors: T. Taufik, R. Prasetyo, D. Dolan, D. Garinto

Abstract:

Today-s Voltage Regulator Modules (VRMs) face increasing design challenges as the number of transistors in microprocessors increases per Moore-s Law. These challenges have recently become even more demanding as microprocessors operate at sub voltage range at significantly high current. This paper presents a new multiphase topology with cell configuration for improved performance in low voltage and high current applications. A lab scale hardware prototype of the new topology was design and constructed. Laboratory tests were performed on the proposed converter and compared with a commercially available VRM. Results from the proposed topology exhibit improved performance compared to the commercially available counterpart.

Keywords: Voltage Regulator Modules, dc-dc converters, powerelectronics.

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Authors: H. O. Barbosa, A. C. R. da Silva, C. M. de Almeida, E. M. dos Santos, F. O. de Sousa, F. B. da S. Souza, F. B. da S. Souza, F. de O. Lima, L. H. Albuquerque, R. F. do Valle Cunha

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Software development is intrinsic human-based knowledge-intensive. Due to globalization, software development has become a complex challenge and we usually face barriers related to knowledge management, team building, costly testing processes, especially in distributed settings. In this paper, we present the use of experimental studies to improve our knowledge management process using the Wiki system. According to the results, it was possible to identify learning preferences from our software projects leader team, organize and improve the learning experience of our Wiki, and facilitate collaboration by newcomers to improve Wiki with new contents available in the Wiki.

Keywords: Mobile products, knowledge management process, Wiki system, Global Software Development.

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Authors: F. Di Pillo, G. Capece, L. Cricelli, N. Levialdi

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The liberalization and privatization processes have forced public utility companies to face new competitive challenges, implementing strategies to gain market share and, at the same time, keep the old customers. To this end, many companies have carried out mergers, acquisitions and conglomerations in order to diversify their business. This paper focuses on companies operating in the free energy market in Italy. In the last decade, this sector has undergone profound changes that have radically changed the competitive scenario and have led companies to implement diversification strategies of the business. Our work aims to evaluate the economic and financial performances obtained by energy companies, following the beginning of the liberalization process, verifying the possible relationship with the implemented diversification strategies.

Keywords: Business diversification strategies, M&A, the Italian energy market liberalization, economic and financial performances.

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Authors: Norihiro Nishio, Yuki Deguchi, Takahiro Sugiyama, Yoichi Takebayashi

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We developed a multi-camera control system that a (one) cameraman can operate several cameras at a compact studio. we analyzed a workflow of a cameraman of some program shootings with two cameras and clarified their heavy tasks. The system based on a dynamic workflow which adapts a program progressing and recommends of cameraman. we perform the automation of multicamera controls by modeling of studio environment and perform automatic camera adjustment for suitable angle of view with face detection. Our experiment at a real program shooting showed that one cameraman can carry out the task of shooting sufficiently.

Keywords: Camera work, compact studio, dynamic workflow, shooting support.

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Authors: Sophie Sturup

Abstract:

Mega urban transport projects (MUTPs) are increasingly being used in urban environments to ameliorate the problem of congestion. However, a number of problems with regard to mega projects have been identified. In particular the seemingly institutionalised over estimation of economic benefits and persistent cost over runs, could mean that the wrong projects are selected, and that the projects that are selected cost more than they should. Studies to date have produced a number of solutions to these problems, perhaps most notably, the various methods for the inclusion of the private sector in project provision. However the problems have shown significant intractability in the face of these solutions. This paper provides a detailed examination of some of the problems facing mega projects and then examines Foucault-s theory of 'governmentality' as a possible frame of analysis which might shed light on the intractability of the problems that have been identified, through an identification of the art of government in which MUTPs occur.

Keywords: Michel Foucault, Governmentality, Mega projects, Transport.

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Authors: Selar Othman Ali

Abstract:

Implementing quality assurance in higher education establishments is the main focus of the reform process currently undertaken by the Ministry of Higher Education and Scientific Research in the Kurdistan Region of Iraq. The reform agenda has involved attempts to improve academic quality and management processes in universities, technical institutions and colleges. The central challenge for the reform process is to produce change in higher education in a region where administration is described as centralized and bureaucratic. To make these changes, there should be a well-designed plans and follow up processes in order to monitor progress and develop responses to obstacles. Lack of skills, resources, political dilemmas, poor motivation, and readiness to face the consequences of change are factors which will determine the success of the reform process.

Keywords: Higher Education, Kurdistan-Iraq, Quality Assurance

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Authors: E. Cesarini, M. Lorenzini, R. Cardarelli, S. Chao, E. Coccia, V. Fafone, Y. Minenkow, I. Nardecchia, I. M. Pinto, A. Rocchi, V. Sequino, C. Taranto

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Structural relaxation processes in optical coatings represent a fundamental limit to the sensitivity of gravitational waves detectors, MEMS, optical metrology and entangled state experiments. To face this problem, many research lines are now active, in particular the characterization of new materials and novel solutions to be employed as coatings in future gravitational wave detectors. Nano-layered coating deposition is among the most promising techniques. We report on the measurement of acoustic loss of nm-layered composites (Ti₂O/SiO₂), performed with the GeNS nodal suspension, compared with sputtered λ/4 thin films nowadays employed.

Keywords: Mechanical measurement, nanomaterials, optical coating, thermal noise.

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Authors: Stefania Arguelles Reyes, Octavio José Salcedo Parra, Alberto Acosta López

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This paper presents a web application for the improvement of images through recognition. The web application is based on the analysis of picture-based recognition methods that allow an improvement on the physical appearance of people posting in social networks. The basis relies on the study of tools that can correct or improve some features of the face, with the help of a wide collection of user images taken as reference to build a facial profile. Automatic facial profiling can be achieved with a deeper study of the Object Detection Library. It was possible to improve the initial images with the help of MATLAB and its filtering functions. The user can have a direct interaction with the program and manually adjust his preferences.

Keywords: Application, MATLAB, make up, model, recognition.

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Authors: Pattaranut Eakwaropas, Khemjira Jarmkom, Warachate Khobjai, Surachai Techaoei

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The aim of this study is to improve Pang-Rum (PR) hardness by adding natural binders. PR is one of Thai tradition aroma products. In the past, it was used for aesthetic propose on face and body with good odor. Nowadays, PR is not popular and going to be disappeared. Five natural materials, i.e. agar, rice flour, glutinous flour, corn starch, and tapioca starch were selected to use as binders. Binders were dissolved with boiled water into concentration 5% and 10% w/w except agar that was prepared 0.5% and 1% w/w. PR with and without binder were formulated. Physical properties, i.e. weight, shape, color, and hardness were evaluated. PR with 10% of corn starch solution had suitable hardness (14.2±0.9 kg) and the best appearance. In the future, it would be planned to study about odor and physical stability for decorated product development.

Keywords: Aromatic water, hardness, natural binder, pang-rum.

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Authors: Marcelo Dias Carvalho, Leticia Ishikawa

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Supply Chain Risk Management refers to a set of strategies used by companies to avoid supply chain disruption caused by damage at production facilities, natural disasters, capacity issues, inventory problems, incorrect forecasts, and delays. Many companies use the techniques of the Toyota Production System, which in a way goes against a better management of supply chain risks. This paper studies key events in some multinationals to analyze the trade-off between the best supply chain risk management techniques and management policies designed to create lean enterprises. The result of a good balance of these actions is the reduction of losses, increased customer trust in the company and better preparedness to face the general risks of a supply chain.

Keywords: Supply chain disruptions, supply chain management, supply chain resilience, just-in-time production, lean manufacturing.

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Authors: So-Jeong Youn, Kyung-Whan Oh

Abstract:

The human friendly interaction is the key function of a human-centered system. Over the years, it has received much attention to develop the convenient interaction through intention recognition. Intention recognition processes multimodal inputs including speech, face images, and body gestures. In this paper, we suggest a novel approach of intention recognition using a graph representation called Intention Graph. A concept of valid intention is proposed, as a target of intention recognition. Our approach has two phases: goal recognition phase and intention recognition phase. In the goal recognition phase, we generate an action graph based on the observed actions, and then the candidate goals and their plans are recognized. In the intention recognition phase, the intention is recognized with relevant goals and user profile. We show that the algorithm has polynomial time complexity. The intention graph is applied to a simple briefcase domain to test our model.

Keywords: Intention recognition, intention, graph, HCI.

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Authors: Steffen Schieweck, Johannes Dregger, Sascha Kaczmarek, Michael ten Hompel

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Logistics distributors face the issue of having to provide increasing service levels while being forced to reduce costs at the same time. Same-day delivery, quick order processing and rapidly growing ranges of articles are only some of the prevailing challenges. One key aspect of the performance of an intra-logistics system is how often and in which amplitude congestions and dysfunctions affect the processing operations. By gaining knowledge of the so called ‘performance availability’ of such a system during the planning stage, oversizing and wasting can be reduced whereas planning transparency is increased. State of the art for the determination of this KPI is simulation studies. However, their structure and therefore their results may vary unforeseeably. This article proposes a concept for the establishment of ‘certified’ and hence reliable and comparable simulation models.

Keywords: Intra-logistics, performance availability, simulation, warehousing.

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Authors: M.B.S. Alferjani, A.A. Abdul Samad, N. Mohamad, M. Hilton, N. Ali

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This paper presents the Literature Review of carbon fiber reinforced polymer (CFRP) strips to reinforced concrete (RC) as a strengthening solution for T-beams. Although a great deal of research has been carried out on Rectangular beams strengthened with Fibre-Reinforced Polymer composites (FRP), Fiber reinforced polymer (FRP) composites have been increasingly studied for their application in the flexural or shear strengthening of reinforced concrete (RC) members. A detailed discussion of the shearstrengthening repair with FRP is undertaken. This paper will be limited to research of CFRP material externally bonded to the tensile face of concrete beams. In particular, research studying the effect of externally applied CFRP materials on the shear performance of reinforced concrete beams will be reported.

Keywords: CFRP, Concrete, Flexural, FRP, Shear, Strengthening.

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Authors: R. O. Ocaya, J. J. Terblans

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The laws of Newtonian mechanics allow ab-initio molecular dynamics to model and simulate particle trajectories in material science by defining a differentiable potential function. This paper discusses some considerations for the coding of ab-initio programs for simulation on a standalone computer and illustrates the approach by C language codes in the context of embedded metallic atoms in the face-centred cubic structure. The algorithms use velocity-time integration to determine particle parameter evolution for up to several thousands of particles in a thermodynamical ensemble. Such functions are reusable and can be placed in a redistributable header library file. While there are both commercial and free packages available, their heuristic nature prevents dissection. In addition, developing own codes has the obvious advantage of teaching techniques applicable to new problems.

Keywords: C-language, molecular dynamics, simulation, embedded atom method.

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