Search results for: Coherent/Non-coherent Modulation Schemes.
Commenced in January 2007
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Edition: International
Paper Count: 771

Search results for: Coherent/Non-coherent Modulation Schemes.

51 Coupling Heat and Mass Transfer for Hydrogen-Assisted Self-Ignition Behaviors of Propane-Air Mixtures in Catalytic Micro-Channels

Authors: Junjie Chen, Deguang Xu

Abstract:

Transient simulation of the hydrogen-assisted self-ignition of propane-air mixtures were carried out in platinum-coated micro-channels from ambient cold-start conditions, using a two-dimensional model with reduced-order reaction schemes, heat conduction in the solid walls, convection and surface radiation heat transfer. The self-ignition behavior of hydrogen-propane mixed fuel is analyzed and compared with the heated feed case. Simulations indicate that hydrogen can successfully cause self-ignition of propane-air mixtures in catalytic micro-channels with a 0.2 mm gap size, eliminating the need for startup devices. The minimum hydrogen composition for propane self-ignition is found to be in the range of 0.8-2.8% (on a molar basis), and increases with increasing wall thermal conductivity, and decreasing inlet velocity or propane composition. Higher propane-air ratio results in earlier ignition. The ignition characteristics of hydrogen-assisted propane qualitatively resemble the selectively inlet feed preheating mode. Transient response of the mixed hydrogen- propane fuel reveals sequential ignition of propane followed by hydrogen. Front-end propane ignition is observed in all cases. Low wall thermal conductivities cause earlier ignition of the mixed hydrogen-propane fuel, subsequently resulting in low exit temperatures. The transient-state behavior of this micro-scale system is described, and the startup time and minimization of hydrogen usage are discussed.

Keywords: Micro-combustion, Self-ignition, Hydrogen addition, Heat transfer, Catalytic combustion, Transient simulation.

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50 Localizing and Recognizing Integral Pitches of Cheque Document Images

Authors: Bremananth R., Veerabadran C. S., Andy W. H. Khong

Abstract:

Automatic reading of handwritten cheque is a computationally complex process and it plays an important role in financial risk management. Machine vision and learning provide a viable solution to this problem. Research effort has mostly been focused on recognizing diverse pitches of cheques and demand drafts with an identical outline. However most of these methods employ templatematching to localize the pitches and such schemes could potentially fail when applied to different types of outline maintained by the bank. In this paper, the so-called outline problem is resolved by a cheque information tree (CIT), which generalizes the localizing method to extract active-region-of-entities. In addition, the weight based density plot (WBDP) is performed to isolate text entities and read complete pitches. Recognition is based on texture features using neural classifiers. Legal amount is subsequently recognized by both texture and perceptual features. A post-processing phase is invoked to detect the incorrect readings by Type-2 grammar using the Turing machine. The performance of the proposed system was evaluated using cheque and demand drafts of 22 different banks. The test data consists of a collection of 1540 leafs obtained from 10 different account holders from each bank. Results show that this approach can easily be deployed without significant design amendments.

Keywords: Cheque reading, Connectivity checking, Text localization, Texture analysis, Turing machine, Signature verification.

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49 Strong Adhesion and High Wettability at Polyetheretherketone-Resin/Titanium-Dioxide Interface Obtained with Crystal-Orientation Control

Authors: Tomio Iwasaki, Yosuke Kawahito

Abstract:

The adhesion strength and wettability at the interfaces between a polyetheretherketone (PEEK) resin and titanium dioxide (TiO2) have become more important because direct joining of PEEK resin and titanium (Ti), whose surface has usually the oxide (TiO2), is needed not only in vehicles such as airplanes, automobiles, and space vehicles, but also in medical devices such as implants. To realize strong joint between the PEEK resin and TiO2, the dependence of the adhesion strength and wettability on crystal orientations of rutile TiO2 were investigated by using molecular simulations. Molecular dynamics simulations were conducted by combining quantum-mechanics equation of electrons with Newton’s equation of motion of nuclear coordinates (atomic coordinates). By putting a PEEK-resin sphere on a rutile TiO2 surface and by heating the system to 650 K, the contact angles at the interfaces were calculated to evaluate the wettability. After the system is cooled to 300 K from 650 K, to evaluate the adhesin strength, the adhesive fracture energy is calculated as the difference between the energy of the PEEK-TiO2 attached state and that of the PEEK-TiO2 detached state. The results of the contact angles showed that PEEK resin on the TiO2(100) and that on the TiO2(001) surface has low wettability with large contact angles. On the other hand, PEEK resin on the TiO2(110) surface has high wettability with a small contact angle. The results of the adhesive fracture energies showed that the adhesion at the PEEK-resin/TiO2(100) and PEEK-resin/TiO2(001) interfaces are weak. On the other hand, the adhesion at the PEEK-resin/TiO2(110) interface is strong. To clarify the reason that the higher wettability and stronger adhesion are obtained at the PEEK/TiO2(110) interface than at the at the PEEK/TiO2(100) and PEEK/TiO2(001) interfaces, atomic configurations at the interfaces were visualized. The atomic configuration at the PEEK/TiO2(110) interface showed that the lattice-matched coherent interface is realized, and the atomic density is high. On the other hand, the atomic configuration at the PEEK/TiO2(001) interface showed the lattice-unmatched incoherent interface. The atomic configuration at the PEEK/TiO2(100) interface showed that the atomic density is very low although the lattice-matched interface is realized. Therefore, the lattice matching and the high atomic density at the PEEK/TiO2(001) interface are considered to be dominant factors in the high wettability and strong adhesion.

Keywords: Adhesion, direct joining, PEEK, TiO2, wettability.

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48 Development and Validation of an Instrument Measuring the Coping Strategies in Situations of Stress

Authors: Lucie Côté, Martin Lauzier, Guy Beauchamp, France Guertin

Abstract:

Stress causes deleterious effects to the physical, psychological and organizational levels, which highlight the need to use effective coping strategies to deal with it. Several coping models exist, but they don’t integrate the different strategies in a coherent way nor do they take into account the new research on the emotional coping and acceptance of the stressful situation. To fill these gaps, an integrative model incorporating the main coping strategies was developed. This model arises from the review of the scientific literature on coping and from a qualitative study carried out among workers with low or high levels of stress, as well as from an analysis of clinical cases. The model allows one to understand under what circumstances the strategies are effective or ineffective and to learn how one might use them more wisely. It includes Specific Strategies in controllable situations (the Modification of the Situation and the Resignation-Disempowerment), Specific Strategies in non-controllable situations (Acceptance and Stubborn Relentlessness) as well as so-called General Strategies (Wellbeing and Avoidance). This study is intended to undertake and present the process of development and validation of an instrument to measure coping strategies based on this model. An initial pool of items has been generated from the conceptual definitions and three expert judges have validated the content. Of these, 18 items have been selected for a short form questionnaire. A sample of 300 students and employees from a Quebec university was used for the validation of the questionnaire. Concerning the reliability of the instrument, the indices observed following the inter-rater agreement (Krippendorff’s alpha) and the calculation of the coefficients for internal consistency (Cronbach's alpha) are satisfactory. To evaluate the construct validity, a confirmatory factor analysis using MPlus supports the existence of a model with six factors. The results of this analysis suggest also that this configuration is superior to other alternative models. The correlations show that the factors are only loosely related to each other. Overall, the analyses carried out suggest that the instrument has good psychometric qualities and demonstrates the relevance of further work to establish predictive validity and reconfirm its structure. This instrument will help researchers and clinicians better understand and assess coping strategies to cope with stress and thus prevent mental health issues.

Keywords: Acceptance, coping strategies, measurement instrument, questionnaire, stress, validation process.

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47 Dual-Actuated Vibration Isolation Technology for a Rotary System’s Position Control on a Vibrating Frame: Disturbance Rejection and Active Damping

Authors: Kamand Bagherian, Nariman Niknejad

Abstract:

A vibration isolation technology for precise position control of a rotary system powered by two permanent magnet DC (PMDC) motors is proposed, where this system is mounted on an oscillatory frame. To achieve vibration isolation for this system, active damping and disturbance rejection (ADDR) technology is presented which introduces a cooperation of a main and an auxiliary PMDC, controlled by discrete-time sliding mode control (DTSMC) based schemes. The controller of the main actuator tracks a desired position and the auxiliary actuator simultaneously isolates the induced vibration, as its controller follows a torque trend. To determine this torque trend, a combination of two algorithms is introduced by the ADDR technology. The first torque-trend producing algorithm rejects the disturbance by counteracting the perturbation, estimated using a model-based observer. The second torque trend applies active variable damping to minimize the oscillation of the output shaft. In this practice, the presented technology is implemented on a rotary system with a pendulum attached, mounted on a linear actuator simulating an oscillation-transmitting structure. In addition, the obtained results illustrate the functionality of the proposed technology.

Keywords: Vibration isolation, position control, discrete-time nonlinear controller, active damping, disturbance tracking algorithm, oscillation transmitting support, stability robustness.

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46 Overloading Scheme for Cellular DS-CDMA using Quasi-Orthogonal Sequences and Iterative Interference Cancellation Receiver

Authors: Preetam Kumar, Saswat Chakrabarti

Abstract:

Overloading is a technique to accommodate more number of users than the spreading factor N. This is a bandwidth efficient scheme to increase the number users in a fixed bandwidth. One of the efficient schemes to overload a CDMA system is to use two sets of orthogonal signal waveforms (O/O). The first set is assigned to the N users and the second set is assigned to the additional M users. An iterative interference cancellation technique is used to cancel interference between the two sets of users. In this paper, the performance of an overloading scheme in which the first N users are assigned Walsh-Hadamard orthogonal codes and extra users are assigned the same WH codes but overlaid by a fixed (quasi) bent sequence [11] is evaluated. This particular scheme is called Quasi- Orthogonal Sequence (QOS) O/O scheme, which is a part of cdma2000 standard [12] to provide overloading in the downlink using single user detector. QOS scheme are balance O/O scheme, where the correlation between any set-1 and set-2 users are equalized. The allowable overload of this scheme is investigated in the uplink on an AWGN and Rayleigh fading channels, so that the uncoded performance with iterative multistage interference cancellation detector remains close to the single user bound. It is shown that this scheme provides 19% and 11% overloading with SDIC technique for N= 16 and 64 respectively, with an SNR degradation of less than 0.35 dB as compared to single user bound at a BER of 0.00001. But on a Rayleigh fading channel, the channel overloading is 45% (29 extra users) at a BER of 0.0005, with an SNR degradation of about 1 dB as compared to single user performance for N=64. This is a significant amount of channel overloading on a Rayleigh fading channel.

Keywords: DS-CDMA, Iterative Interference CancellationOrthogonal codes, Overloading.

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45 Rolling Element Bearing Diagnosis by Improved Envelope Spectrum: Optimal Frequency Band Selection

Authors: Juan David Arango, Alejandro Restrepo-Martinez

Abstract:

The Rolling Element Bearing (REB) vibration diagnosis is worth of special interest by the variety of REB and the wide necessity of those elements in industrial applications. The presence of a localized fault in a REB gives rise to a vibrational response, characterized by the modulation of a carrier signal. Frequency content of carrier signal (Spectral Frequency –f) is mainly related to resonance frequencies of the REB. This carrier signal is modulated by another signal, governed by the periodicity of the fault impact (Cyclic Frequency –α). In this sense, REB fault vibration response gives rise to a second-order cyclostationary signal. Second order cyclostationary signals could be represented in a bi-spectral map, where Spectral Coherence –SCoh are plotted against f and α. The Improved Envelope Spectrum –IES, is a useful approach to execute REB fault diagnosis. IES could be applied by the integration of SCoh over a predefined bandwidth on the f axis. Approaches to select f-bandwidth have been recently exposed by the definition of a metric which intends to evaluate the magnitude of the IES at the fault characteristics frequencies. This metric is represented in a 1/3-binary tree as a function of the frequency bandwidth and centre. Based on this binary tree the optimal frequency band is selected. However, some advantages have been seen if the metric is changed, which in fact tends to dictate different optimal f-bandwidth and so improve the IES representation. This paper evaluates the behaviour of the IES from a different metric optimization. This metric is based on the sample correlation coefficient, detecting high peaks in the selected frequencies while penalizing high peaks in the neighbours of the selected frequencies. Prior results indicate an improvement on the signal-noise ratio (SNR) on around 86% of samples analysed, which belong to IMS database.

Keywords: Sample Correlation IESFOgram, cyclostationary analysis, improved envelope spectrum, IES, rolling element bearing diagnosis, spectral coherence.

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44 Reducing Later Life Loneliness: A Systematic Literature Review of Loneliness Interventions

Authors: Dhruv Sharma, Lynne Blair, Stephen Clune

Abstract:

Later life loneliness is a social issue that is increasing alongside an upward global population trend. As a society, one way that we have responded to this social challenge is through developing non-pharmacological interventions such as befriending services, activity clubs, meet-ups, etc. Through a systematic literature review, this paper suggests that currently there is an underrepresentation of radical innovation, and underutilization of digital technologies in developing loneliness interventions for older adults. This paper examines intervention studies that were published in English language, within peer reviewed journals between January 2005 and December 2014 across 4 electronic databases. In addition to academic databases, interventions found in grey literature in the form of websites, blogs, and Twitter were also included in the overall review. This approach yielded 129 interventions that were included in the study. A systematic approach allowed the minimization of any bias dictating the selection of interventions to study. A coding strategy based on a pattern analysis approach was devised to be able to compare and contrast the loneliness interventions. Firstly, interventions were categorized on the basis of their objective to identify whether they were preventative, supportive, or remedial in nature. Secondly, depending on their scope, they were categorized as one-to-one, community-based, or group based. It was also ascertained whether interventions represented an improvement, an incremental innovation, a major advance or a radical departure, in comparison to the most basic form of a loneliness intervention. Finally, interventions were also assessed on the basis of the extent to which they utilized digital technologies. Individual visualizations representing the four levels of coding were created for each intervention, followed by an aggregated visual to facilitate analysis. To keep the inquiry within scope and to present a coherent view of the findings, the analysis was primarily concerned the level of innovation, and the use of digital technologies. This analysis highlights a weak but positive correlation between the level of innovation and the use of digital technologies in designing and deploying loneliness interventions, and also emphasizes how certain existing interventions could be tweaked to enable their migration from representing incremental innovation to radical innovation for example. This analysis also points out the value of including grey literature, especially from Twitter, in systematic literature reviews to get a contemporary view of latest work in the area under investigation.

Keywords: Loneliness, ageing, innovation, digital.

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43 Synthesis and Characterization of Plasma Polymerized Thin Films Deposited from Benzene and Hexamethyldisiloxane using (PECVD) Method

Authors: Hisham M. Abourayana, Nuri A. Zreiba, Abdulkader M. Elamin

Abstract:

Polymer-like organic thin films were deposited on both aluminum alloy type 6061 and glass substrates at room temperature by Plasma Enhanced Chemical Vapor Deposition (PECVD) methodusing benzene and hexamethyldisiloxane (HMDSO) as precursor materials. The surface and physical properties of plasma-polymerized organic thin films were investigated at different r.f. powers. The effects of benzene/argon ratio on the properties of plasma polymerized benzene films were also investigated. It is found that using benzene alone results in a non-coherent and non-adherent powdery deposited material. The chemical structure and surface properties of the asgrown plasma polymerized thin films were analyzed on glass substrates with FTIR and contact angle measurements. FTIR spectra of benzene deposited film indicated that the benzene rings are preserved when increasing benzene ratio and/or decreasing r.f. powers. FTIR spectra of HMDSO deposited films indicated an increase of the hydrogen concentration and a decrease of the oxygen concentration with the increase of r.f. power. The contact angle (θ) of the films prepared from benzene was found to increase by about 43% as benzene ratio increases from 10% to 20%. θ was then found to decrease to the original value (51°) when the benzene ratio increases to 100%. The contact angle, θ, for both benzene and HMDSO deposited films were found to increase with r.f. power. This signifies that the plasma polymerized organic films have substantially low surface energy as the r.f power increases. The corrosion resistance of aluminum alloy substrate both bare and covered with plasma polymerized thin films was carried out by potentiodynamic polarization measurements in standard 3.5 wt. % NaCl solution at room temperature. The results indicate that the benzene and HMDSO deposited films are suitable for protection of the aluminum substrate against corrosion. The changes in the processing parameters seem to have a strong influence on the film protective ability. Surface roughness of films deposited on aluminum alloy substrate was investigated using scanning electron microscopy (SEM). The SEM images indicate that the surface roughness of benzene deposited films increase with decreasing the benzene ratio. SEM images of benzene and HMDSO deposited films indicate that the surface roughness decreases with increasing r.f. power. Studying the above parameters indicate that the films produced are suitable for specific practical applications.

Keywords: Plasma polymerization, potentiodynamic test, Contact angle.

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42 Applications of AUSM+ Scheme on Subsonic, Supersonic and Hypersonic Flows Fields

Authors: Muhammad Yamin Younis, Muhammad Amjad Sohail, Tawfiqur Rahman, Zaka Muhammad, Saifur Rahman Bakaul

Abstract:

The performance of Advection Upstream Splitting Method AUSM schemes are evaluated against experimental flow fields at different Mach numbers and results are compared with experimental data of subsonic, supersonic and hypersonic flow fields. The turbulent model used here is SST model by Menter. The numerical predictions include lift coefficient, drag coefficient and pitching moment coefficient at different mach numbers and angle of attacks. This work describes a computational study undertaken to compute the Aerodynamic characteristics of different air vehicles configurations using a structured Navier-Stokes computational technique. The CFD code bases on the idea of upwind scheme for the convective (convective-moving) fluxes. CFD results for GLC305 airfoil and cone cylinder tail fined missile calculated on above mentioned turbulence model are compared with the available data. Wide ranges of Mach number from subsonic to hypersonic speeds are simulated and results are compared. When the computation is done by using viscous turbulence model the above mentioned coefficients have a very good agreement with the experimental values. AUSM scheme is very efficient in the regions of very high pressure gradients like shock waves and discontinuities. The AUSM versions simulate the all types of flows from lower subsonic to hypersonic flow without oscillations.

Keywords: Subsonic, supersonic, Hypersonic, AUSM+, Drag Coefficient, lift Coefficient, Pitching moment coefficient, pressure Coefficient, turbulent flow.

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41 Cellular Automata Based Robust Watermarking Architecture towards the VLSI Realization

Authors: V. H. Mankar, T. S. Das, S. K. Sarkar

Abstract:

In this paper, we have proposed a novel blind watermarking architecture towards its hardware implementation in VLSI. In order to facilitate this hardware realization, cellular automata (CA) concept is introduced. The CA has been already accepted as an attractive structure for VLSI implementation because of its modularity, parallelism, high performance and reliability. The hardware realizable multiresolution spread spectrum watermarking techniques are very few in numbers in spite of their best ever resiliency against signal impairments. This is because of the computational cost and complexity associated with their different filter banks and lifting techniques. The concept of cellular automata theory in order to form a new transform domain technique i.e. Cellular Automata Transform (CAT) have been incorporated. Since CA provides spreading sequences having very low cross-correlation properties, the CA based pseudorandom sequence generator is considered in the present work. Considering the watermarking technique as a digital communication process, an error control coding (ECC) must be incorporated in the data hiding schemes. Besides the hardware implementation of entire CA based data hiding technique, the individual blocks of the algorithm using CA provide the best result than that of some other methods irrespective of the hardware and software technique. The Cellular Automata Transform, CA based PN sequence generator, and CA ECC are the requisite blocks that are developed not only to meet the reliable hardware requirements but also for the basic spread spectrum watermarking features. The proposed algorithm shows statistical invisibility and resiliency against various common signal-processing operations. This algorithmic design utilizes the existing allocated bandwidth in the data transmission channel in a more efficient manner.

Keywords: Cellular automata, watermarking, error control coding, PN sequence, VLSI.

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40 Guidelines for Developing, Supervising, Assessing and Evaluating Capstone Design Project of BSc in Electrical and Electronic Engineering Program

Authors: Muhibul Haque Bhuyan

Abstract:

Inclusion of any design project in an undergraduate electrical and electronic engineering curriculum and producing creative ideas in the final year capstone design projects have received numerous comments at the Board of Accreditation for Engineering and Technical Education (BAETE) several times by the mentors and visiting program evaluator team members at different public and private universities in Bangladesh. To eradicate this deficiency which is needed for getting the program accreditation, a thorough change was required in the Department of Electrical and Electronic Engineering (EEE) for its BSc in EEE program at Southeast University, Dhaka, Bangladesh. We suggested making changes in the course curriculum titles and contents, emphasizing to include capstone design projects, question setting, examining students through other standard methods, selecting and retaining Outcome-Based Education (OBE)-oriented engineering faculty members, improving laboratories through purchasing new equipment and software as well as developing new experiments for each laboratory courses, and engaging the students to practical designs in various courses and final year projects. This paper reports on capstone design project course objectives, course outcomes, mapping with the program outcomes, cognitive domain of learning, assessment schemes, guidelines, suggestions and recommendations for supervision processes, assessment strategy, and rubric setting, etc. It is expected that this will substantially improve the capstone design projects offering, supervision, and assessment in the undergraduate EEE program to fulfill the arduous requirements of BAETE accreditation based on OBE.

Keywords: Course outcome, capstone design project, assessment and evaluation, electrical and electronic engineering.

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39 Evidence Theory Enabled Quickest Change Detection Using Big Time-Series Data from Internet of Things

Authors: Hossein Jafari, Xiangfang Li, Lijun Qian, Alexander Aved, Timothy Kroecker

Abstract:

Traditionally in sensor networks and recently in the Internet of Things, numerous heterogeneous sensors are deployed in distributed manner to monitor a phenomenon that often can be model by an underlying stochastic process. The big time-series data collected by the sensors must be analyzed to detect change in the stochastic process as quickly as possible with tolerable false alarm rate. However, sensors may have different accuracy and sensitivity range, and they decay along time. As a result, the big time-series data collected by the sensors will contain uncertainties and sometimes they are conflicting. In this study, we present a framework to take advantage of Evidence Theory (a.k.a. Dempster-Shafer and Dezert-Smarandache Theories) capabilities of representing and managing uncertainty and conflict to fast change detection and effectively deal with complementary hypotheses. Specifically, Kullback-Leibler divergence is used as the similarity metric to calculate the distances between the estimated current distribution with the pre- and post-change distributions. Then mass functions are calculated and related combination rules are applied to combine the mass values among all sensors. Furthermore, we applied the method to estimate the minimum number of sensors needed to combine, so computational efficiency could be improved. Cumulative sum test is then applied on the ratio of pignistic probability to detect and declare the change for decision making purpose. Simulation results using both synthetic data and real data from experimental setup demonstrate the effectiveness of the presented schemes.

Keywords: CUSUM, evidence theory, KL divergence, quickest change detection, time series data.

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38 Flood Modeling in Urban Area Using a Well-Balanced Discontinuous Galerkin Scheme on Unstructured Triangular Grids

Authors: Rabih Ghostine, Craig Kapfer, Viswanathan Kannan, Ibrahim Hoteit

Abstract:

Urban flooding resulting from a sudden release of water due to dam-break or excessive rainfall is a serious threatening environment hazard, which causes loss of human life and large economic losses. Anticipating floods before they occur could minimize human and economic losses through the implementation of appropriate protection, provision, and rescue plans. This work reports on the numerical modelling of flash flood propagation in urban areas after an excessive rainfall event or dam-break. A two-dimensional (2D) depth-averaged shallow water model is used with a refined unstructured grid of triangles for representing the urban area topography. The 2D shallow water equations are solved using a second-order well-balanced discontinuous Galerkin scheme. Theoretical test case and three flood events are described to demonstrate the potential benefits of the scheme: (i) wetting and drying in a parabolic basin (ii) flash flood over a physical model of the urbanized Toce River valley in Italy; (iii) wave propagation on the Reyran river valley in consequence of the Malpasset dam-break in 1959 (France); and (iv) dam-break flood in October 1982 at the town of Sumacarcel (Spain). The capability of the scheme is also verified against alternative models. Computational results compare well with recorded data and show that the scheme is at least as efficient as comparable second-order finite volume schemes, with notable efficiency speedup due to parallelization.

Keywords: Flood modeling, dam-break, shallow water equations, Discontinuous Galerkin scheme, MUSCL scheme.

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37 Carbon-Based Electrodes for Parabens Detection

Authors: Aniela Pop, Ianina Birsan, Corina Orha, Rodica Pode, Florica Manea

Abstract:

Carbon nanofiber-epoxy composite electrode has been investigated through voltammetric and amperometric techniques in order to detect parabens from aqueous solutions. The occurrence into environment as emerging pollutants of these preservative compounds has been extensively studied in the last decades, and consequently, a rapid and reliable method for their quantitative quantification is required. In this study, methylparaben (MP) and propylparaben (PP) were chosen as representatives for paraben class. The individual electrochemical detection of each paraben has been successfully performed. Their electrochemical oxidation occurred at the same potential value. Their simultaneous quantification should be assessed electrochemically only as general index of paraben class as a cumulative signal corresponding to both MP and PP from solution. The influence of pH on the electrochemical signal was studied. pH ranged between 1.3 and 9.0 allowed shifting the detection potential value to smaller value, which is very desired for the electroanalysis. Also, the signal is better-defined and higher sensitivity is achieved. Differential-pulsed voltammetry and square-wave voltammetry were exploited under the optimum pH conditions to improve the electroanalytical performance for the paraben detection. Also, the operation conditions were selected, i.e., the step potential, modulation amplitude and the frequency. Chronomaprometry application as the easiest electrochemical detection method led to worse sensitivity, probably due to a possible fouling effect of the electrode surface. The best electroanalytical performance was achieved by pulsed voltammetric technique but the selection of the electrochemical technique is related to the concrete practical application. A good reproducibility of the voltammetric-based method using carbon nanofiber-epoxy composite electrode was determined and no interference effect was found for the cation and anion species that are common in the water matrix. Besides these characteristics, the long life-time of the electrode give to carbon nanofiber-epoxy composite electrode a great potential for practical applications.

Keywords: Carbon nanofiber-epoxy composite electrode, electroanalysis, methylparaben, propylparaben.

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36 Index t-SNE: Tracking Dynamics of High-Dimensional Datasets with Coherent Embeddings

Authors: G. Candel, D. Naccache

Abstract:

t-SNE is an embedding method that the data science community has widely used. It helps two main tasks: to display results by coloring items according to the item class or feature value; and for forensic, giving a first overview of the dataset distribution. Two interesting characteristics of t-SNE are the structure preservation property and the answer to the crowding problem, where all neighbors in high dimensional space cannot be represented correctly in low dimensional space. t-SNE preserves the local neighborhood, and similar items are nicely spaced by adjusting to the local density. These two characteristics produce a meaningful representation, where the cluster area is proportional to its size in number, and relationships between clusters are materialized by closeness on the embedding. This algorithm is non-parametric. The transformation from a high to low dimensional space is described but not learned. Two initializations of the algorithm would lead to two different embedding. In a forensic approach, analysts would like to compare two or more datasets using their embedding. A naive approach would be to embed all datasets together. However, this process is costly as the complexity of t-SNE is quadratic, and would be infeasible for too many datasets. Another approach would be to learn a parametric model over an embedding built with a subset of data. While this approach is highly scalable, points could be mapped at the same exact position, making them indistinguishable. This type of model would be unable to adapt to new outliers nor concept drift. This paper presents a methodology to reuse an embedding to create a new one, where cluster positions are preserved. The optimization process minimizes two costs, one relative to the embedding shape and the second relative to the support embedding’ match. The embedding with the support process can be repeated more than once, with the newly obtained embedding. The successive embedding can be used to study the impact of one variable over the dataset distribution or monitor changes over time. This method has the same complexity as t-SNE per embedding, and memory requirements are only doubled. For a dataset of n elements sorted and split into k subsets, the total embedding complexity would be reduced from O(n2) to O(n2/k), and the memory requirement from n2 to 2(n/k)2 which enables computation on recent laptops. The method showed promising results on a real-world dataset, allowing to observe the birth, evolution and death of clusters. The proposed approach facilitates identifying significant trends and changes, which empowers the monitoring high dimensional datasets’ dynamics.

Keywords: Concept drift, data visualization, dimension reduction, embedding, monitoring, reusability, t-SNE, unsupervised learning.

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35 Productivity Effect of Urea Deep Placement Technology: An Empirical Analysis from Irrigation Rice Farmers in the Northern Region of Ghana

Authors: Shaibu Baanni Azumah, Ignatius Tindjina, Stella Obanyi, Tara N. Wood

Abstract:

This study examined the effect of Urea Deep Placement (UDP) technology on the output of irrigated rice farmers in the northern region of Ghana. Multi-stage sampling technique was used to select 142 rice farmers from the Golinga and Bontanga irrigation schemes, around Tamale. A treatment effect model was estimated at two stages; firstly, to determine the factors that influenced farmers’ decision to adopt the UDP technology and secondly, to determine the effect of the adoption of the UDP technology on the output of rice farmers. The significant variables that influenced rice farmers’ adoption of the UPD technology were sex of the farmer, land ownership, off-farm activity, extension service, farmer group participation and training. The results also revealed that farm size and the adoption of UDP technology significantly influenced the output of rice farmers in the northern region of Ghana. In addition to the potential of the technology to improve yields, it also presents an employment opportunity for women and youth, who are engaged in the deep placement of Urea Super Granules (USG), as well as in the transplantation of rice. It is recommended that the government of Ghana work closely with the IFDC to embed the UDP technology in the national agricultural programmes and policies. The study also recommends an effective collaboration between the government, through the Ministry of Food and Agriculture (MoFA) and the International Fertilizer Development Center (IFDC) to train agricultural extension agents on UDP technology in the rice producing areas of the country.

Keywords: Northern Ghana, output, irrigation rice farmers, treatment effect model, urea deep placement.

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34 A Hybrid Mesh Free Local RBF- Cartesian FD Scheme for Incompressible Flow around Solid Bodies

Authors: A. Javed, K. Djidjeli, J. T. Xing, S. J. Cox

Abstract:

A method for simulating flow around the solid bodies has been presented using hybrid meshfree and mesh-based schemes. The presented scheme optimizes the computational efficiency by combining the advantages of both meshfree and mesh-based methods. In this approach, a cloud of meshfree nodes has been used in the domain around the solid body. These meshfree nodes have the ability to efficiently adapt to complex geometrical shapes. In the rest of the domain, conventional Cartesian grid has been used beyond the meshfree cloud. Complex geometrical shapes can therefore be dealt efficiently by using meshfree nodal cloud and computational efficiency is maintained through the use of conventional mesh-based scheme on Cartesian grid in the larger part of the domain. Spatial discretization of meshfree nodes has been achieved through local radial basis functions in finite difference mode (RBF-FD). Conventional finite difference scheme has been used in the Cartesian ‘meshed’ domain. Accuracy tests of the hybrid scheme have been conducted to establish the order of accuracy. Numerical tests have been performed by simulating two dimensional steady and unsteady incompressible flows around cylindrical object. Steady flow cases have been run at Reynolds numbers of 10, 20 and 40 and unsteady flow problems have been studied at Reynolds numbers of 100 and 200. Flow Parameters including lift, drag, vortex shedding, and vorticity contours are calculated. Numerical results have been found to be in good agreement with computational and experimental results available in the literature.

Keywords: CFD, Meshfree particle methods, Hybrid grid, Incompressible Navier Strokes equations, RBF-FD.

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33 Review of Strategies for Hybrid Energy Storage Management System in Electric Vehicle Application

Authors: Kayode A. Olaniyi, Adeola A. Ogunleye, Tola M. Osifeko

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Electric Vehicles (EV) appear to be gaining increasing patronage as a feasible alternative to Internal Combustion Engine Vehicles (ICEVs) for having low emission and high operation efficiency. The EV energy storage systems are required to handle high energy and power density capacity constrained by limited space, operating temperature, weight and cost. The choice of strategies for energy storage evaluation, monitoring and control remains a challenging task. This paper presents review of various energy storage technologies and recent researches in battery evaluation techniques used in EV applications. It also underscores strategies for the hybrid energy storage management and control schemes for the improvement of EV stability and reliability. The study reveals that despite the advances recorded in battery technologies there is still no cell which possess both the optimum power and energy densities among other requirements, for EV application. However combination of two or more energy storages as hybrid and allowing the advantageous attributes from each device to be utilized is a promising solution. The review also reveals that State-of-Charge (SoC) is the most crucial method for battery estimation. The conventional method of SoC measurement is however questioned in the literature and adaptive algorithms that include all model of disturbances are being proposed. The review further suggests that heuristic-based approach is commonly adopted in the development of strategies for hybrid energy storage system management. The alternative approach which is optimization-based is found to be more accurate but is memory and computational intensive and as such not recommended in most real-time applications.

Keywords: Hybrid electric vehicle, hybrid energy storage, battery state estimation, ate of charge, state of health.

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32 Accurate And Efficient Global Approximation using Adaptive Polynomial RSM for Complex Mechanical and Vehicular Performance Models

Authors: Y. Z. Wu, Z. Dong, S. K. You

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Global approximation using metamodel for complex mathematical function or computer model over a large variable domain is often needed in sensibility analysis, computer simulation, optimal control, and global design optimization of complex, multiphysics systems. To overcome the limitations of the existing response surface (RS), surrogate or metamodel modeling methods for complex models over large variable domain, a new adaptive and regressive RS modeling method using quadratic functions and local area model improvement schemes is introduced. The method applies an iterative and Latin hypercube sampling based RS update process, divides the entire domain of design variables into multiple cells, identifies rougher cells with large modeling error, and further divides these cells along the roughest dimension direction. A small number of additional sampling points from the original, expensive model are added over the small and isolated rough cells to improve the RS model locally until the model accuracy criteria are satisfied. The method then combines local RS cells to regenerate the global RS model with satisfactory accuracy. An effective RS cells sorting algorithm is also introduced to improve the efficiency of model evaluation. Benchmark tests are presented and use of the new metamodeling method to replace complex hybrid electrical vehicle powertrain performance model in vehicle design optimization and optimal control are discussed.

Keywords: Global approximation, polynomial response surface, domain decomposition, domain combination, multiphysics modeling, hybrid powertrain optimization

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31 Food Security Model and the Role of Community Empowerment: The Case of a Marginalized Village in Mexico, Tatoxcac, Puebla

Authors: Marco Antonio Lara De la Calleja, María Catalina Ovando Chico, Eduardo Lopez Ruiz

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Community empowerment has been proved to be a key element in the solution of the food security problem. As a result of a conceptual analysis, it was found that agricultural production, economic development and governance, are the traditional basis of food security models. Although the literature points to social inclusion as an important factor for food security, no model has considered it as the basis of it. The aim of this research is to identify different dimensions that make an integral model for food security, with emphasis on community empowerment. A diagnosis was made in the study community (Tatoxcac, Zacapoaxtla, Puebla), to know the aspects that impact the level of food insecurity. With a statistical sample integrated by 200 families, the Latin American and Caribbean Food Security Scale (ELCSA) was applied, finding that: in households composed by adults and children, have moderated food insecurity, (ELCSA scale has three levels, low, moderated and high); that result is produced mainly by the economic income capacity and the diversity of the diet on its food. With that being said, a model was developed to promote food security through five dimensions: 1. Regional context of the community; 2. Structure and system of local food; 3. Health and nutrition; 4. Information and technology access; and 5. Self-awareness and empowerment. The specific actions on each axis of the model, allowed a systemic approach needed to attend food security in the community, through the empowerment of society. It is concluded that the self-awareness of local communities is an area of extreme importance, which must be taken into account for participatory schemes to improve food security. In the long term, the model requires the integrated participation of different actors, such as government, companies and universities, to solve something such vital as food security.

Keywords: Community empowerment, food security, model, systemic approach.

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30 An Estimation of Rice Output Supply Response in Sierra Leone: A Nerlovian Model Approach

Authors: Alhaji M. H. Conteh, Xiangbin Yan, Issa Fofana, Brima Gegbe, Tamba I. Isaac

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Rice grain is Sierra Leone’s staple food and the nation imports over 120,000 metric tons annually due to a shortfall in its cultivation. Thus, the insufficient level of the crop's cultivation in Sierra Leone is caused by many problems and this led to the endlessly widening supply and demand for the crop within the country. Consequently, this has instigated the government to spend huge money on the importation of this grain that would have been otherwise cultivated domestically at a cheaper cost. Hence, this research attempts to explore the response of rice supply with respect to its demand in Sierra Leone within the period 1980-2010. The Nerlovian adjustment model to the Sierra Leone rice data set within the period 1980-2010 was used. The estimated trend equations revealed that time had significant effect on output, productivity (yield) and area (acreage) of rice grain within the period 1980-2010 and this occurred generally at the 1% level of significance. The results showed that, almost the entire growth in output had the tendency to increase in the area cultivated to the crop. The time trend variable that was included for government policy intervention showed an insignificant effect on all the variables considered in this research. Therefore, both the short-run and long-run price response was inelastic since all their values were less than one. From the findings above, immediate actions that will lead to productivity growth in rice cultivation are required. To achieve the above, the responsible agencies should provide extension service schemes to farmers as well as motivating them on the adoption of modern rice varieties and technology in their rice cultivation ventures.

Keywords: Nerlovian adjustment model, price elasticities, Sierra Leone, Trend equations.

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29 Lightweight and Seamless Distributed Scheme for the Smart Home

Authors: Muhammad Mehran Arshad Khan, Chengliang Wang, Zou Minhui, Danyal Badar Soomro

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Security of the smart home in terms of behavior activity pattern recognition is a totally dissimilar and unique issue as compared to the security issues of other scenarios. Sensor devices (low capacity and high capacity) interact and negotiate each other by detecting the daily behavior activity of individuals to execute common tasks. Once a device (e.g., surveillance camera, smart phone and light detection sensor etc.) is compromised, an adversary can then get access to a specific device and can damage daily behavior activity by altering the data and commands. In this scenario, a group of common instruction processes may get involved to generate deadlock. Therefore, an effective suitable security solution is required for smart home architecture. This paper proposes seamless distributed Scheme which fortifies low computational wireless devices for secure communication. Proposed scheme is based on lightweight key-session process to upheld cryptic-link for trajectory by recognizing of individual’s behavior activities pattern. Every device and service provider unit (low capacity sensors (LCS) and high capacity sensors (HCS)) uses an authentication token and originates a secure trajectory connection in network. Analysis of experiments is revealed that proposed scheme strengthens the devices against device seizure attack by recognizing daily behavior activities, minimum utilization memory space of LCS and avoids network from deadlock. Additionally, the results of a comparison with other schemes indicate that scheme manages efficiency in term of computation and communication.

Keywords: Authentication, key-session, security, wireless sensors.

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28 Dimensionality Reduction in Modal Analysis for Structural Health Monitoring

Authors: Elia Favarelli, Enrico Testi, Andrea Giorgetti

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Autonomous structural health monitoring (SHM) of many structures and bridges became a topic of paramount importance for maintenance purposes and safety reasons. This paper proposes a set of machine learning (ML) tools to perform automatic feature selection and detection of anomalies in a bridge from vibrational data and compare different feature extraction schemes to increase the accuracy and reduce the amount of data collected. As a case study, the Z-24 bridge is considered because of the extensive database of accelerometric data in both standard and damaged conditions. The proposed framework starts from the first four fundamental frequencies extracted through operational modal analysis (OMA) and clustering, followed by time-domain filtering (tracking). The fundamental frequencies extracted are then fed to a dimensionality reduction block implemented through two different approaches: feature selection (intelligent multiplexer) that tries to estimate the most reliable frequencies based on the evaluation of some statistical features (i.e., entropy, variance, kurtosis), and feature extraction (auto-associative neural network (ANN)) that combine the fundamental frequencies to extract new damage sensitive features in a low dimensional feature space. Finally, one-class classification (OCC) algorithms perform anomaly detection, trained with standard condition points, and tested with normal and anomaly ones. In particular, principal component analysis (PCA), kernel principal component analysis (KPCA), and autoassociative neural network (ANN) are presented and their performance are compared. It is also shown that, by evaluating the correct features, the anomaly can be detected with accuracy and an F1 score greater than 95%.

Keywords: Anomaly detection, dimensionality reduction, frequencies selection, modal analysis, neural network, structural health monitoring, vibration measurement.

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27 Encouraging Collaboration and Innovation: The New Engineering Oriented Educational Reform in Urban Planning, Tianjin University, China

Authors: Tianjie Zhang, Bingqian Cheng, Peng Zeng

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Engineering science and technology progress and innovation have become an important engine to promote social development. The reform exploration of "new engineering" in China has drawn extensive attention around the world, with its connotation as "to cultivate future diversified, innovative and outstanding engineering talents by taking ‘fostering character and civic virtue’ as the guide, responding to changes and shaping the future as the construction concept, and inheritance and innovation, crossover and fusion, coordination and sharing as the principal approach". In this context, Tianjin University, as a traditional Chinese university with advantages in engineering, further launched the CCII (Coherent-Collaborative-Interdisciplinary-Innovation) program, raising the cultivation idea of integrating new liberal arts education, multidisciplinary engineering education and personalized professional education. As urban planning practice in China has undergone the evolution of "physical planning -- comprehensive strategic planning -- resource management-oriented planning", planning education has also experienced the transmutation process of "building foundation -- urban scientific foundation -- multi-disciplinary integration". As a characteristic and advantageous discipline of Tianjin University, the major of Urban and Rural Planning, in accordance with the "CCII Program of Tianjin University", aims to build China's top and world-class major, and implements the following educational reform measures: 1. Adding corresponding English courses, such as advanced course on GIS Analysis, courses on comparative studies in international planning involving ecological resources and the sociology of the humanities, etc. 2. Holding "Academician Forum", inviting international academicians to give lectures or seminars to track international frontier scientific research issues. 3. Organizing "International Joint Workshop" to provide students with international exchange and design practice platform. 4. Setting up a business practice base, so that students can find problems from practice and solve them in an innovative way. Through these measures, the Urban and Rural Planning major of Tianjin University has formed a talent training system with multi-disciplinary cross integration and orienting to the future science and technology.

Keywords: China, higher education reform, innovation, new engineering education, rural and urban planning, Tianjin University.

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26 Analysing the Renewable Energy Integration Paradigm in the Post-COVID-19 Era: An Examination of the Upcoming Energy Law of China

Authors: Lan Wu

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China’s declared transformation towards a ‘new electricity system dominated by renewable energy’ requires a cleaner electricity consumption mix with high shares of renewable energy sourced-electricity (RES-E). Unfortunately, integration of RES-E into Chinese electricity markets remains a problem pending more robust legal support, evidenced by the curtailment of wind and solar power due to integration constraints. The upcoming Energy Law of the PRC (Energy Law) is expected to provide such long-awaiting support and coordinate the existing diverse sector-specific laws to deal with the weak implementation that dampening the delivery of their desired regulatory effects. However, in the shadow of the COVID-19 crisis, it remains uncertain how this new Energy Law brings synergies to RES-E integration, mindful of the significant impacts of the pandemic. Through the theoretical lens of the interplay between China’s electricity market reform and legislative development, this paper investigates whether there is a paradigm shift in Energy Law regarding renewable energy integration compared with the existing sector-specific energy laws. It examines the 2020 Draft for Comments on the Energy Law and analyses its relationship with sector-specific energy laws focusing on RES-E integration. The comparison is drawn upon five critical aspects of the RES-E integration issue, including the status of renewables, marketisation, incentive schemes, consumption mechanisms, access to power grids and dispatching. The analysis shows that it is reasonable to expect a more open and well-organised electricity market, enabling the absorption of high shares of RES-E. The present paper concludes that a period of prosperous development of RES-E in the post-COVID-19 era can be anticipated with the legal support by the upcoming Energy Law. It contributes to understanding the signals China is sending regarding the transition towards a cleaner energy future.

Keywords: energy law, energy transition, electricity market reform, renewable energy integration

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25 Numerical Investigation of Multiphase Flow in Pipelines

Authors: Gozel Judakova, Markus Bause

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We present and analyze reliable numerical techniques for simulating complex flow and transport phenomena related to natural gas transportation in pipelines. Such kind of problems are of high interest in the field of petroleum and environmental engineering. Modeling and understanding natural gas flow and transformation processes during transportation is important for the sake of physical realism and the design and operation of pipeline systems. In our approach a two fluid flow model based on a system of coupled hyperbolic conservation laws is considered for describing natural gas flow undergoing hydratization. The accurate numerical approximation of two-phase gas flow remains subject of strong interest in the scientific community. Such hyperbolic problems are characterized by solutions with steep gradients or discontinuities, and their approximation by standard finite element techniques typically gives rise to spurious oscillations and numerical artefacts. Recently, stabilized and discontinuous Galerkin finite element techniques have attracted researchers’ interest. They are highly adapted to the hyperbolic nature of our two-phase flow model. In the presentation a streamline upwind Petrov-Galerkin approach and a discontinuous Galerkin finite element method for the numerical approximation of our flow model of two coupled systems of Euler equations are presented. Then the efficiency and reliability of stabilized continuous and discontinous finite element methods for the approximation is carefully analyzed and the potential of the either classes of numerical schemes is investigated. In particular, standard benchmark problems of two-phase flow like the shock tube problem are used for the comparative numerical study.

Keywords: Discontinuous Galerkin method, Euler system, inviscid two-fluid model, streamline upwind Petrov-Galerkin method, two-phase flow.

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24 Water Management Scheme: Panacea to Development Using Nigeria’s University of Ibadan Water Supply Scheme as a Case Study

Authors: Sunday Olufemi Adesogan

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The supply of potable water at least is a very important index in national development. Water tariffs depend on the treatment cost which carries the highest percentage of the total operation cost in any water supply scheme. In order to keep water tariffs as low as possible, treatment costs have to be minimized. The University of Ibadan, Nigeria, water supply scheme consists of a treatment plant with three distribution stations (Amina way, Kurumi and Lander) and two raw water supply sources (Awba dam and Eleyele dam). An operational study of the scheme was carried out to ascertain the efficiency of the supply of potable water on the campus to justify the need for water supply schemes in tertiary institutions. The study involved regular collection, processing and analysis of periodic operational data. Data collected include supply reading (water production on daily basis) and consumers metered reading for a period of 22 months (October 2013 - July 2015), and also collected, were the operating hours of both plants and human beings. Applying the required mathematical equations, total loss was determined for the distribution system, which was translated into monetary terms. Adequacies of the operational functions were also determined. The study revealed that water supply scheme is justified in tertiary institutions. It was also found that approximately 10.7 million Nigerian naira (N) is lost to leakages during the 22-month study period; the system’s storage capacity is no longer adequate, especially for peak water production. The capacity of the system as a whole is insufficient for the present university population and that the existing water supply system is not being operated in an optimal manner especially due to personnel, power and system ageing constraints.

Keywords: Operational, efficiency, production, supply, water treatment plant, water loss.

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23 Determinants of the Income of Household Level Coir Yarn Labourers in Sri Lanka

Authors: G. H. B. Dilhari, A. A. D. T. Saparamadu

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Sri Lanka is one of the prominent countries for the coir production. The coir is one of the by-products of the coconut and the coir industry is considered to be one of the traditional industries in Sri Lanka. Because of the inherent nature of the coir industry, labourers play a significant role in the coir production process. The study has analyzed the determinants of the income of the household level coir yarn labourers. The study was conducted in the Kumarakanda Grama Niladhari division. Simple random sampling was used to generate a sample of 100 household level coir yarn labourers and structured questionnaire, personal interviews, and discussion were performed to gather the required data. The obtained data were statistically analyzed by using Statistical Package for Social Science (SPSS) software. Mann-Whitney U and Kruskal-Wallis test were performed for mean comparison. The findings revealed that the household level coir yarn industry is dominated by the female workers and it was identified that fewer numbers of workers have engaged in this industry as the main occupation. In addition to that, elderly participation in the industry is higher than the younger participation and most of them have engaged in the industry as a source of extra income. Level of education, the methods of engagement, satisfaction, engagement in the industry by the next generation, support from the government, method of government support, working hours per day, employed as a main job, number of completed units per day, suffering from job related diseases and type of the diseases were related with income level of household level coir yarn laboures. The recommendations as to flourish in future includes, technological transformation for coir yarn production, strengthening the raw material base and regulating the raw material supply, introduction of new technologies, markets and training programmes, the establishment of the labourers’ association, the initiation of micro credit schemes and better consideration about the job oriented diseases.

Keywords: Coir, Income, Sri Lanka.

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22 Critical Assessment of Scoring Schemes for Protein-Protein Docking Predictions

Authors: Dhananjay C. Joshi, Jung-Hsin Lin

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Protein-protein interactions (PPI) play a crucial role in many biological processes such as cell signalling, transcription, translation, replication, signal transduction, and drug targeting, etc. Structural information about protein-protein interaction is essential for understanding the molecular mechanisms of these processes. Structures of protein-protein complexes are still difficult to obtain by biophysical methods such as NMR and X-ray crystallography, and therefore protein-protein docking computation is considered an important approach for understanding protein-protein interactions. However, reliable prediction of the protein-protein complexes is still under way. In the past decades, several grid-based docking algorithms based on the Katchalski-Katzir scoring scheme were developed, e.g., FTDock, ZDOCK, HADDOCK, RosettaDock, HEX, etc. However, the success rate of protein-protein docking prediction is still far from ideal. In this work, we first propose a more practical measure for evaluating the success of protein-protein docking predictions,the rate of first success (RFS), which is similar to the concept of mean first passage time (MFPT). Accordingly, we have assessed the ZDOCK bound and unbound benchmarks 2.0 and 3.0. We also createda new benchmark set for protein-protein docking predictions, in which the complexes have experimentally determined binding affinity data. We performed free energy calculation based on the solution of non-linear Poisson-Boltzmann equation (nlPBE) to improve the binding mode prediction. We used the well-studied thebarnase-barstarsystem to validate the parameters for free energy calculations. Besides,thenlPBE-based free energy calculations were conducted for the badly predicted cases by ZDOCK and ZRANK. We found that direct molecular mechanics energetics cannot be used to discriminate the native binding pose from the decoys.Our results indicate that nlPBE-based calculations appeared to be one of the promising approaches for improving the success rate of binding pose predictions.

Keywords: protein-protein docking, protein-protein interaction, molecular mechanics energetics, Poisson-Boltzmann calculations

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