Search results for: boundary integral equation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2041

Search results for: boundary integral equation

61 Laplace Transformation on Ordered Linear Space of Generalized Functions

Authors: K. V. Geetha, N. R. Mangalambal

Abstract:

Aim. We have introduced the notion of order to multinormed spaces and countable union spaces and their duals. The topology of bounded convergence is assigned to the dual spaces. The aim of this paper is to develop the theory of ordered topological linear spaces La,b, L(w, z), the dual spaces of ordered multinormed spaces La,b, ordered countable union spaces L(w, z), with the topology of bounded convergence assigned to the dual spaces. We apply Laplace transformation to the ordered linear space of Laplace transformable generalized functions. We ultimately aim at finding solutions to nonhomogeneous nth order linear differential equations with constant coefficients in terms of generalized functions and comparing different solutions evolved out of different initial conditions. Method. The above aim is achieved by • Defining the spaces La,b, L(w, z). • Assigning an order relation on these spaces by identifying a positive cone on them and studying the properties of the cone. • Defining an order relation on the dual spaces La,b, L(w, z) of La,b, L(w, z) and assigning a topology to these dual spaces which makes the order dual and the topological dual the same. • Defining the adjoint of a continuous map on these spaces and studying its behaviour when the topology of bounded convergence is assigned to the dual spaces. • Applying the two-sided Laplace Transformation on the ordered linear space of generalized functions W and studying some properties of the transformation which are used in solving differential equations. Result. The above techniques are applied to solve non-homogeneous n-th order linear differential equations with constant coefficients in terms of generalized functions and to compare different solutions of the differential equation.

Keywords: Laplace transformable generalized function, positive cone, topology of bounded convergence

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60 Modeling of Pulsatile Blood Flow in a Weak Magnetic Field

Authors: Chee Teck Phua, Gaëlle Lissorgues

Abstract:

Blood pulse is an important human physiological signal commonly used for the understanding of the individual physical health. Current methods of non-invasive blood pulse sensing require direct contact or access to the human skin. As such, the performances of these devices tend to vary with time and are subjective to human body fluids (e.g. blood, perspiration and skin-oil) and environmental contaminants (e.g. mud, water, etc). This paper proposes a simulation model for the novel method of non-invasive acquisition of blood pulse using the disturbance created by blood flowing through a localized magnetic field. The simulation model geometry represents a blood vessel, a permanent magnet, a magnetic sensor, surrounding tissues and air in 2-dimensional. In this model, the velocity and pressure fields in the blood stream are described based on Navier-Stroke equations and the walls of the blood vessel are assumed to have no-slip condition. The blood assumes a parabolic profile considering a laminar flow for blood in major artery near the skin. And the inlet velocity follows a sinusoidal equation. This will allow the computational software to compute the interactions between the magnetic vector potential generated by the permanent magnet and the magnetic nanoparticles in the blood. These interactions are simulated based on Maxwell equations at the location where the magnetic sensor is placed. The simulated magnetic field at the sensor location is found to assume similar sinusoidal waveform characteristics as the inlet velocity of the blood. The amplitude of the simulated waveforms at the sensor location are compared with physical measurements on human subjects and found to be highly correlated.

Keywords: Blood pulse, magnetic sensing, non-invasive measurement, magnetic disturbance.

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59 Thermal Performance of an Air Heating Storing System

Authors: Mohammed A. Elhaj, Jamal S. Yassin

Abstract:

Owing to the lack of synchronization between the solar energy availability and the heat demands in a specific application, the energy storing sub-system is necessary to maintain the continuity of thermal process. The present work is dealing with an active solar heating storing system in which an air solar collector is connected to storing unit where this energy is distributed and provided to the heated space in a controlled manner. The solar collector is a box type absorber where the air flows between a number of vanes attached between the collector absorber and the bottom plate. This design can improve the efficiency due to increasing the heat transfer area exposed to the flowing air, as well as the heat conduction through the metal vanes from the top absorbing surface. The storing unit is a packed bed type where the air is coming from the air collector and circulated through the bed in order to add/remove the energy through the charging / discharging processes, respectively. The major advantage of the packed bed storage is its high degree of thermal stratification. Numerical solution of the packed bed energy storage is considered through dividing the bed into a number of equal segments for the bed particles and solved the energy equation for each segment depending on the neighbor ones. The studied design and performance parameters in the developed simulation model including, particle size, void fraction, etc. The final results showed that the collector efficiency was fluctuated between 55%-61% in winter season (January) under the climatic conditions of Misurata in Libya. Maximum temperature of 52ºC is attained at the top of the bed while the lower one is 25ºC at the end of the charging process of hot air into the bed. This distribution can satisfy the required load for the most house heating in Libya.

Keywords: Solar energy, thermal process, performance, collector, packed bed, numerical analysis, simulation.

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58 Experimental Investigation of Heat Transfer and Flow of Nano Fluids in Horizontal Circular Tube

Authors: Abdulhassan Abd. K, Sattar Al-Jabair, Khalid Sultan

Abstract:

We have measured the pressure drop and convective heat transfer coefficient of water – based AL(25nm),AL2O3(30nm) and CuO(50nm) Nanofluids flowing through a uniform heated circular tube in the fully developed laminar flow regime. The experimental results show that the data for Nanofluids friction factor show a good agreement with analytical prediction from the Darcy's equation for single-phase flow. After reducing the experimental results to the form of Reynolds, Rayleigh and Nusselt numbers. The results show the local Nusselt number and temperature have distribution with the non-dimensional axial distance from the tube entry. Study decided that thenNanofluid as Newtonian fluids through the design of the linear relationship between shear stress and the rate of stress has been the study of three chains of the Nanofluid with different concentrations and where the AL, AL2O3 and CuO – water ranging from (0.25 - 2.5 vol %). In addition to measuring the four properties of the Nanofluid in practice so as to ensure the validity of equations of properties developed by the researchers in this area and these properties is viscosity, specific heat, and density and found that the difference does not exceed 3.5% for the experimental equations between them and the practical. The study also demonstrated that the amount of the increase in heat transfer coefficient for three types of Nano fluid is AL, AL2O3, and CuO – Water and these ratios are respectively (45%, 32%, 25%) with insulation and without insulation (36%, 23%, 19%), and the statement of any of the cases the best increase in heat transfer has been proven that using insulation is better than not using it. I have been using three types of Nano particles and one metallic Nanoparticle and two oxide Nanoparticle and a statement, whichever gives the best increase in heat transfer.

Keywords: Newtonian, NUR factor, Brownian motion

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57 Theoretical and Analytical Approaches for Investigating the Relations between Sediment Transport and Channel Shape

Authors: Nidal Hadadin

Abstract:

This study investigated the effect of cross sectional geometry on sediment transport rate. The processes of sediment transport are generally associated to environmental management, such as pollution caused by the forming of suspended sediment in the channel network of a watershed and preserving physical habitats and native vegetations, and engineering applications, such as the influence of sediment transport on hydraulic structures and flood control design. Many equations have been proposed for computing the sediment transport, the influence of many variables on sediment transport has been understood; however, the effect of other variables still requires further research. For open channel flow, sediment transport capacity is recognized to be a function of friction slope, flow velocity, grain size, grain roughness and form roughness, the hydraulic radius of the bed section and the type and quantity of vegetation cover. The effect of cross sectional geometry of the channel on sediment transport is one of the variables that need additional investigation. The width-depth ratio (W/d) is a comparative indicator of the channel shape. The width is the total distance across the channel and the depth is the mean depth of the channel. The mean depth is best calculated as total cross-sectional area divided by the top width. Channels with high W/d ratios tend to be shallow and wide, while channels with low (W/d) ratios tend to be narrow and deep. In this study, the effects of the width-depth ratio on sediment transport was demonstrated theoretically by inserting the shape factor in sediment continuity equation and analytically by utilizing the field data sets for Yalobusha River. It was found by utilizing the two approaches as a width-depth ratio increases the sediment transport decreases.

Keywords: Sediment transport, shape factor, hydraulicgeometry, flow discharge, width depth ratio.

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56 The Influencing Factors and the Approach to Enhance the Standard of E-Commerce for Small and Medium Enterprises in Bangkok

Authors: Wanida Suwunniponth

Abstract:

The objectives of this research paper were to study the influencing factors that contributed to the success of electronic commerce (e-commerce) and to study the approach to enhance the standard of e-commerce for small and medium enterprises (SME). The research paper focused the study on only sole proprietorship SMEs in Bangkok, Thailand. The factors contributed to the success of SME included business management, learning in the organization, business collaboration, and the quality of website. A quantitative and qualitative mixed research methodology was used. In terms of quantitative method, a questionnaire was used to collect data from 251 sole proprietorships. The System Equation Model (SEM) was utilized as the tool for data analysis. In terms of qualitative method, an in-depth interview, a dialogue with experts in the field of ecommerce for SMEs, and content analysis were used. By using the adjusted causal relationship structure model, it was revealed that the factors affecting the success of e-commerce for SMEs were found to be congruent with the empirical data. The hypothesis testing indicated that business management influenced the learning in the organization, the learning in the organization influenced business collaboration and the quality of the website, and these factors, in turn, influenced the success of SMEs. Moreover, the approach to enhance the standard of SMEs revealed that the majority of respondents wanted to enhance the standard of SMEs to a high level in the category of safety of e-commerce system, basic structure of e-commerce, development of staff potentials, assistance of budget and tax reduction, and law improvement regarding the e-commerce respectively.

Keywords: Electronic Commerce, Influencing Factors, Small and Medium Enterprises.

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55 Historical Development of Bagh-e Dasht in Herat, Afghanistan: A Comprehensive Field Survey of Physical and Social Aspects

Authors: Khojesta Kawish, Tetsuya Ando, Sayed Abdul Basir Samimi

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Bagh-e Dasht area is situated in the northern part of Herat, an old city in western Afghanistan located on the Silk Road which has received a strong influence from Persian culture. Initially, the Bagh-e Dasht area was developed for gardens and palaces near Joy-e Injil canal during the Timurid Empire in the 15th century. It is assumed Bagh-e Dasht became a settlement in the 16th century during the Safavid Empire. The oldest area is the southern part around the canal bank which is characterized by Dalans, sun-dried brick arcades above which houses are often constructed. Traditional houses in this area are built with domical vault roofs constructed with sun-dried bricks. Bagh-e Dasht is one of the best-preserved settlements of traditional houses in Herat. This study examines the transformation of the Bagh-e Dasht area with a focus on Dalans, where traditional houses with domical vault roofs have been well-preserved until today. The aim of the study is to examine the extent of physical changes to the area as well as changes to houses and the community. This research paper contains original results which have previously not been published in architectural history. The roof types of houses in the area are investigated through examining high resolution satellite images. The boundary of each building and space is determined by both a field survey and aerial photographs of the study area. A comprehensive field survey was then conducted to examine each space and building in the area. In addition, a questionnaire was distributed to the residents of the Dalan houses and interviews were conducted with the Wakil (Chief) of the area, a local historian, residents and traditional builders. The study finds that the oldest part of Bagh-e Dasht area, the south, contains both Dalans and domical vault roof houses. The next oldest part, which is the north, only has domical vault roof houses. The rest of the area only has houses with modernized flat roofs. This observation provides an insight into the process of historical development in the Bagh-e Dasht area.

Keywords: Afghanistan, Bagh-e Dasht, Dalan, Domical vault, Herat, over path house, traditional house.

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54 Forecasting Foreign Direct Investment with Modified Diffusion Model

Authors: Bi-Huei Tsai

Abstract:

Prior research has not effectively investigated how the profitability of Chinese branches affect FDIs in China [1, 2], so this study for the first time incorporates realistic earnings information to systematically investigate effects of innovation, imitation, and profit factors of FDI diffusions from Taiwan to China. Our nonlinear least square (NLS) model, which incorporates earnings factors, forms a nonlinear ordinary differential equation (ODE) in numerical simulation programs. The model parameters are obtained through a genetic algorithms (GA) technique and then optimized with the collected data for the best accuracy. Particularly, Taiwanese regulatory FDI restrictions are also considered in our modified model to meet the realistic conditions. To validate the model-s effectiveness, this investigation compares the prediction accuracy of modified model with the conventional diffusion model, which does not take account of the profitability factors. The results clearly demonstrate the internal influence to be positive, as early FDI adopters- consistent praises of FDI attract potential firms to make the same move. The former erects a behavior model for the latter to imitate their foreign investment decision. Particularly, the results of modified diffusion models show that the earnings from Chinese branches are positively related to the internal influence. In general, the imitating tendency of potential consumers is substantially hindered by the losses in the Chinese branches, and these firms would invest less into China. The FDI inflow extension depends on earnings of Chinese branches, and companies will adjust their FDI strategies based on the returns. Since this research has proved that earning is an influential factor on FDI dynamics, our revised model explicitly performs superior in prediction ability than conventional diffusion model.

Keywords: diffusion model, genetic algorithms, nonlinear leastsquares (NLS) model, prediction error.

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53 Exploring Additional Intention Predictors within Dietary Behavior among Type 2 Diabetes

Authors: D. O. Omondi, M. K. Walingo, G. M. Mbagaya

Abstract:

Objective: This study explored the possibility of integrating Health Belief Concepts as additional predictors of intention to adopt a recommended diet-category within the Theory of Planned Behavior (TPB). Methods: The study adopted a Sequential Exploratory Mixed Methods approach. Qualitative data were generated on attitude, subjective norm, perceived behavioral control and perceptions on predetermined diet-categories including perceived susceptibility, perceived benefits, perceived severity and cues to action. Synthesis of qualitative data was done using constant comparative approach during phase 1. A survey tool developed from qualitative results was used to collect information on the same concepts across 237 legible Type 2 diabetics. Data analysis included use of Structural Equation Modeling in Analysis of Moment Structures to explore the possibility of including perceived susceptibility, perceived benefits, perceived severity and cues to action as additional intention predictors in a single nested model. Results: Two models-one nested based on the traditional TPB model {χ2=223.3, df = 77, p = .02, χ2/df = 2.9; TLI = .93; CFI =.91; RMSEA (90CI) = .090(.039, .146)} and the newly proposed Planned Behavior Health Belief Model (PBHB) {χ2 = 743.47, df = 301, p = .019; TLI = .90; CFI=.91; RMSEA (90CI) = .079(.031, .14)} passed the goodness of fit tests based on common fit indicators used. Conclusion: The newly developed PBHB Model ranked higher than the traditional TPB model with reference made to chi-square ratios (PBHB: χ2/df = 2.47; p=0.19 against TPB: χ2/df = 2.9, p=0.02). The integrated model can be used to motivate Type 2 diabetics towards healthy eating.

Keywords: Theory, intention, predictors, mixed methods design.

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52 Nonlinear Finite Element Modeling of Deep Beam Resting on Linear and Nonlinear Random Soil

Authors: M. Seguini, D. Nedjar

Abstract:

An accuracy nonlinear analysis of a deep beam resting on elastic perfectly plastic soil is carried out in this study. In fact, a nonlinear finite element modeling for large deflection and moderate rotation of Euler-Bernoulli beam resting on linear and nonlinear random soil is investigated. The geometric nonlinear analysis of the beam is based on the theory of von Kàrmàn, where the Newton-Raphson incremental iteration method is implemented in a Matlab code to solve the nonlinear equation of the soil-beam interaction system. However, two analyses (deterministic and probabilistic) are proposed to verify the accuracy and the efficiency of the proposed model where the theory of the local average based on the Monte Carlo approach is used to analyze the effect of the spatial variability of the soil properties on the nonlinear beam response. The effect of six main parameters are investigated: the external load, the length of a beam, the coefficient of subgrade reaction of the soil, the Young’s modulus of the beam, the coefficient of variation and the correlation length of the soil’s coefficient of subgrade reaction. A comparison between the beam resting on linear and nonlinear soil models is presented for different beam’s length and external load. Numerical results have been obtained for the combination of the geometric nonlinearity of beam and material nonlinearity of random soil. This comparison highlighted the need of including the material nonlinearity and spatial variability of the soil in the geometric nonlinear analysis, when the beam undergoes large deflections.

Keywords: Finite element method, geometric nonlinearity, material nonlinearity, soil-structure interaction, spatial variability.

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51 Structural Behavior of Precast Foamed Concrete Sandwich Panel Subjected to Vertical In-Plane Shear Loading

Authors: Y. H. Mugahed Amran, Raizal S. M. Rashid, Farzad Hejazi, Nor Azizi Safiee, A. A. Abang Ali

Abstract:

Experimental and analytical studies were accomplished to examine the structural behavior of precast foamed concrete sandwich panel (PFCSP) under vertical in-plane shear load. PFCSP full-scale specimens with total number of six were developed with varying heights to study an important parameter slenderness ratio (H/t). The production technique of PFCSP and the procedure of test setup were described. The results obtained from the experimental tests were analysed in the context of in-plane shear strength capacity, load-deflection profile, load-strain relationship, slenderness ratio, shear cracking patterns and mode of failure. Analytical study of finite element analysis was implemented and the theoretical calculations of the ultimate in-plane shear strengths using the adopted ACI318 equation for reinforced concrete wall were determined aimed at predicting the in-plane shear strength of PFCSP. The decrease in slenderness ratio from 24 to 14 showed an increase of 26.51% and 21.91% on the ultimate in-plane shear strength capacity as obtained experimentally and in FEA models, respectively. The experimental test results, FEA models data and theoretical calculation values were compared and provided a significant agreement with high degree of accuracy. Therefore, on the basis of the results obtained, PFCSP wall has the potential use as an alternative to the conventional load-bearing wall system.

Keywords: Deflection profiles, foamed concrete, load-strain relationships, precast foamed concrete sandwich panel, slenderness ratio, vertical in-plane shear strength capacity.

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50 Study of Equilibrium and Mass Transfer of Co- Extraction of Different Mineral Acids with Iron(III) from Aqueous Solution by Tri-n-Butyl Phosphate Using Liquid Membrane

Authors: Diptendu Das, Vikas Kumar Rahi, V. A. Juvekar, R. Bhattacharya

Abstract:

Extraction of Fe(III) from aqueous solution using Trin- butyl Phosphate (TBP) as carrier needs a highly acidic medium (>6N) as it favours formation of chelating complex FeCl3.TBP. Similarly, stripping of Iron(III) from loaded organic solvents requires neutral pH or alkaline medium to dissociate the same complex. It is observed that TBP co-extracts acids along with metal, which causes reversal of driving force of extraction and iron(III) is re-extracted back from the strip phase into the feed phase during Liquid Emulsion Membrane (LEM) pertraction. Therefore, rate of extraction of different mineral acids (HCl, HNO3, H2SO4) using TBP with and without presence of metal Fe(III) was examined. It is revealed that in presence of metal acid extraction is enhanced. Determination of mass transfer coefficient of both acid and metal extraction was performed by using Bulk Liquid Membrane (BLM). The average mass transfer coefficient was obtained by fitting the derived model equation with experimentally obtained data. The mass transfer coefficient of the mineral acid extraction is in the order of kHNO3 = 3.3x10-6m/s > kHCl = 6.05x10-7m/s > kH2SO4 = 1.85x10-7m/s. The distribution equilibria of the above mentioned acids between aqueous feed solution and a solution of tri-n-butyl-phosphate (TBP) in organic solvents have been investigated. The stoichiometry of acid extraction reveals the formation of TBP.2HCl, HNO3.2TBP, and TBP.H2SO4 complexes. Moreover, extraction of Iron(III) by TBP in HCl aqueous solution forms complex FeCl3.TBP.2HCl while in HNO3 medium forms complex 3FeCl3.TBP.2HNO3

Keywords: Bulk Liquid Membrane (BLM) Transport, Iron(III) extraction, Tri-n-butyl Phosphate, Mass Transfer coefficient.

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49 Validation of the Linear Trend Estimation Technique for Prediction of Average Water and Sewerage Charge Rate Prices in the Czech Republic

Authors: Aneta Oblouková, Eva Vítková

Abstract:

The article deals with the issue of water and sewerage charge rate prices in the Czech Republic. The research is specifically focused on the analysis of the development of the average prices of water and sewerage charge rate in the Czech Republic in 1994-2021 and on the validation of the chosen methodology relevant for the prediction of the development of the average prices of water and sewerage charge rate in the Czech Republic. The research is based on data collection. The data for this research were obtained from the Czech Statistical Office. The aim of the paper is to validate the relevance of the mathematical linear trend estimate technique for the calculation of the predicted average prices of water and sewerage charge rates. The real values of the average prices of water and sewerage charge rates in the Czech Republic in 1994-2018 were obtained from the Czech Statistical Office and were converted into a mathematical equation. The same type of real data was obtained from the Czech Statistical Office for 2019-2021. Prediction of the average prices of water and sewerage charge rates in the Czech Republic in 2019-2021 was also calculated using a chosen method – a linear trend estimation technique. The values obtained from the Czech Statistical Office and the values calculated using the chosen methodology were subsequently compared. The research result is a validation of the chosen mathematical technique to be a suitable technique for this research.

Keywords: Czech Republic, linear trend estimation, price prediction, water and sewerage charge rate.

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48 Waist Circumference-Related Performance of Tense Indices during Varying Pediatric Obesity States and Metabolic Syndrome

Authors: Mustafa M. Donma

Abstract:

Obesity increases the risk of elevated blood pressure, which is a metabolic syndrome (MetS) component. Waist circumference (WC) is accepted as an indispensable parameter for the evaluation of these health problems. The close relationship of height with blood pressure values revealed the necessity of including height in tense indices. The association of tense indices with WC has also become an increasingly important topic. The purpose of this study was to develop a tense index that could contribute to differential diagnosis of MetS more than the indices previously introduced. 194 children, aged 6-11 years, were considered to constitute four groups. The study was performed on normal weight (Group 1), overweight + obese (Group 2), morbid obese [without (Group 3) and with (Group 4) MetS findings] children. Children were included in the groups according to the recommendations of World Health Organization based on age- and gender-dependent body mass index percentiles. For MetS group, MetS components well-established before were considered. Anthropometric measurements as well as blood pressure values were taken. Statistical calculations were performed. 0.05 was accepted as the p value indicating statistical significance. There were no statistically significant differences between the groups for pulse pressure, systolic-to-diastolic pressure ratio and tense index. Increasing values were observed from Group 1 to Group 4 in terms of mean arterial blood pressure and ADTI, which was highly correlated with WC in all groups except Group 1. Both tense index and ADTI exhibited significant correlations with WC in Group 3. However, in Group 4, ADTI, which includes height parameter in the equation, was unique in establishing a strong correlation with WC. In conclusion, ADTI was suggested as a tense index while investigating children with MetS.

Keywords: Blood pressure, metabolic syndrome, waist circumference.

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47 Using Artificial Neural Network and Leudeking-Piret Model in the Kinetic Modeling of Microbial Production of Poly-β- Hydroxybutyrate

Authors: A.Qaderi, A. Heydarinasab, M. Ardjmand

Abstract:

Poly-β-hydroxybutyrate (PHB) is one of the most famous biopolymers that has various applications in production of biodegradable carriers. The most important strategy for enhancing efficiency in production process and reducing the price of PHB, is the accurate expression of kinetic model of products formation and parameters that are effective on it, such as Dry Cell Weight (DCW) and substrate consumption. Considering the high capabilities of artificial neural networks in modeling and simulation of non-linear systems such as biological and chemical industries that mainly are multivariable systems, kinetic modeling of microbial production of PHB that is a complex and non-linear biological process, the three layers perceptron neural network model was used in this study. Artificial neural network educates itself and finds the hidden laws behind the data with mapping based on experimental data, of dry cell weight, substrate concentration as input and PHB concentration as output. For training the network, a series of experimental data for PHB production from Hydrogenophaga Pseudoflava by glucose carbon source was used. After training the network, two other experimental data sets that have not intervened in the network education, including dry cell concentration and substrate concentration were applied as inputs to the network, and PHB concentration was predicted by the network. Comparison of predicted data by network and experimental data, indicated a high precision predicted for both fructose and whey carbon sources. Also in present study for better understanding of the ability of neural network in modeling of biological processes, microbial production kinetic of PHB by Leudeking-Piret experimental equation was modeled. The Observed result indicated an accurate prediction of PHB concentration by artificial neural network higher than Leudeking- Piret model.

Keywords: Kinetic Modeling, Poly-β-Hydroxybutyrate (PHB), Hydrogenophaga Pseudoflava, Artificial Neural Network, Leudeking-Piret

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46 Numerical Buckling of Composite Cylindrical Shells under Axial Compression Using Asymmetric Meshing Technique (AMT)

Authors: Zia R. Tahir, P. Mandal

Abstract:

This paper presents the details of a numerical study of buckling and post buckling behaviour of laminated carbon fiber reinforced plastic (CFRP) thin-walled cylindrical shell under axial compression using asymmetric meshing technique (AMT) by ABAQUS. AMT is considered to be a new perturbation method to introduce disturbance without changing geometry, boundary conditions or loading conditions. Asymmetric meshing affects both predicted buckling load and buckling mode shapes. Cylindrical shell having lay-up orientation [0^o/+45^o/-45^o/0^o] with radius to thickness ratio (R/t) equal to 265 and length to radius ratio (L/R) equal to 1.5 is analysed numerically. A series of numerical simulations (experiments) are carried out with symmetric and asymmetric meshing to study the effect of asymmetric meshing on predicted buckling behaviour. Asymmetric meshing technique is employed in both axial direction and circumferential direction separately using two different methods, first by changing the shell element size and varying the total number elements, and second by varying the shell element size and keeping total number of elements constant. The results of linear analysis (Eigenvalue analysis) and non-linear analysis (Riks analysis) using symmetric meshing agree well with analytical results. The results of numerical analysis are presented in form of non-dimensional load factor, which is the ratio of buckling load using asymmetric meshing technique to buckling load using symmetric meshing technique. Using AMT, load factor has about 2% variation for linear eigenvalue analysis and about 2% variation for non-linear Riks analysis. The behaviour of load end-shortening curve for pre-buckling is same for both symmetric and asymmetric meshing but for asymmetric meshing curve behaviour in post-buckling becomes extraordinarily complex. The major conclusions are: different methods of AMT have small influence on predicted buckling load and significant influence on load displacement curve behaviour in post buckling; AMT in axial direction and AMT in circumferential direction have different influence on buckling load and load displacement curve in post-buckling.

Keywords: CFRP Composite Cylindrical Shell, Asymmetric Meshing Technique, Primary Buckling, Secondary Buckling, Linear Eigenvalue Analysis, Non-linear Riks Analysis.

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45 Surface Thermodynamics Approach to Mycobacterium tuberculosis (M-TB) – Human Sputum Interactions

Authors: J. L. Chukwuneke, C. H. Achebe, S. N. Omenyi

Abstract:

This research work presents the surface thermodynamics approach to M-TB/HIV-Human sputum interactions. This involved the use of the Hamaker coefficient concept as a surface energetics tool in determining the interaction processes, with the surface interfacial energies explained using van der Waals concept of particle interactions. The Lifshitz derivation for van der Waals forces was applied as an alternative to the contact angle approach which has been widely used in other biological systems. The methodology involved taking sputum samples from twenty infected persons and from twenty uninfected persons for absorbance measurement using a digital Ultraviolet visible Spectrophotometer. The variables required for the computations with the Lifshitz formula were derived from the absorbance data. The Matlab software tools were used in the mathematical analysis of the data produced from the experiments (absorbance values). The Hamaker constants and the combined Hamaker coefficients were obtained using the values of the dielectric constant together with the Lifshitz Equation. The absolute combined Hamaker coefficients A132abs and A131abs on both infected and uninfected sputum samples gave the values of A132abs = 0.21631x10-21Joule for M-TB infected sputum and Ã132abs = 0.18825x10-21Joule for M-TB/HIV infected sputum. The significance of this result is the positive value of the absolute combined Hamaker coefficient which suggests the existence of net positive van der waals forces demonstrating an attraction between the bacteria and the macrophage. This however, implies that infection can occur. It was also shown that in the presence of HIV, the interaction energy is reduced by 13% conforming adverse effects observed in HIV patients suffering from tuberculosis.

Keywords: Absorbance, dielectric constant, Hamaker coefficient, Lifshitz formula, macrophage, Mycobacterium tuberculosis, Van der Waals forces.

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44 The Performance Analysis of Valveless Micropump with Contoured Nozzle/Diffuser

Authors: Cheng-Chung Yang, Jr-Ming Miao, Fuh-Lin Lih, Tsung-Lung Liu, Ming-Hui Ho

Abstract:

The operation performance of a valveless micro-pump is strongly dependent on the shape of connected nozzle/diffuser and Reynolds number. The aims of present work are to compare the performance curves of micropump with the original straight nozzle/diffuser and contoured nozzle/diffuser under different back pressure conditions. The tested valveless micropumps are assembled of five pieces of patterned PMMA plates with hot-embracing technique. The structures of central chamber, the inlet/outlet reservoirs and the connected nozzle/diffuser are fabricated with laser cutting machine. The micropump is actuated with circular-type PZT film embraced on the bottom of central chamber. The deformation of PZT membrane with various input voltages is measured with a displacement laser probe. A simple testing facility is also constructed to evaluate the performance curves for comparison. In order to observe the evaluation of low Reynolds number multiple vortex flow patterns within the micropump during suction and pumping modes, the unsteady, incompressible laminar three-dimensional Reynolds-averaged Navier-Stokes equations are solved. The working fluid is DI water with constant thermo-physical properties. The oscillating behavior of PZT film is modeled with the moving boundary wall in way of UDF program. With the dynamic mesh method, the instants pressure and velocity fields are obtained and discussed.Results indicated that the volume flow rate is not monotony increased with the oscillating frequency of PZT film, regardless of the shapes of nozzle/diffuser. The present micropump can generate the maximum volume flow rate of 13.53 ml/min when the operation frequency is 64Hz and the input voltage is 140 volts. The micropump with contoured nozzle/diffuser can provide 7ml/min flow rate even when the back pressure is up to 400 mm-H2O. CFD results revealed that the flow central chamber was occupied with multiple pairs of counter-rotating vortices during suction and pumping modes. The net volume flow rate over a complete oscillating periodic of PZT

Keywords: valveless micropump、PZT diagraph、contoured nozzle/diffuser、vortex flow.

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43 Enhancing Critical Reflective Practice in Fieldwork Education: An Exploratory Study of the Role of Social Work Agencies in the Welfare Context of Hong Kong

Authors: Yee-May Chan

Abstract:

In recent decades, it is observed that social work agencies have participated actively, and thus, have gradually been more influential in social work education in Hong Kong. The neo-liberal welfare ideologies and changing funding mode have transformed the landscape in social work practice and have also had a major influence on the fieldwork environment in Hong Kong. The aim of this research is to explore the educational role of social work agencies and examine in particular whether they are able to enhance or hinder critical reflective learning in fieldwork. In-depth interviews with 15 frontline social workers and managers in different social work agencies were conducted to collect their views and experience in helping social work students in fieldwork. The overall findings revealed that under the current social welfare context most social workers consider that the most important role of social work agencies in fieldwork is to help students prepare to fit-in the practice requirements and work within agencies’ boundary. The fit-for-purpose and down-to-earth view of fieldwork practice is seen as prevalent among most social workers. This narrow perception of agency’s role seems to be more favourable to competence-based approaches. In contrast, though critical reflection has been seen as important in addressing the changing needs of service users, the role of enhancing critical reflective learning has not been clearly expected or understood by most agency workers. The notion of critical reflection, if considered, has been narrowly perceived in fieldwork learning. The findings suggest that the importance of critical reflection is found to be subordinate to that of practice competence. The lack of critical reflection in the field is somehow embedded in the competence-based social work practice. In general, social work students’ critical reflection has not been adequately supported or enhanced in fieldwork agencies, nor critical reflective practice has been encouraged in fieldwork process. To address this situation, the role of social work agencies in fieldwork should be re-examined. To maximise critical reflective learning in the field, critical reflection as an avowed objective in fieldwork learning should be clearly stated. Concrete suggestions are made to help fieldwork agencies become more prepared to critical reflective learning. It is expected that the research can help social work communities to reflect upon the current realities of fieldwork context and to identify ways to strengthen agencies’ capacities to enhance critical reflective learning and practice of social work students.

Keywords: Competence-based social work, fieldwork, neo-liberal welfare, critical reflective learning.

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42 Validation on 3D Surface Roughness Algorithm for Measuring Roughness of Psoriasis Lesion

Authors: M.H. Ahmad Fadzil, Esa Prakasa, Hurriyatul Fitriyah, Hermawan Nugroho, Azura Mohd Affandi, S.H. Hussein

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Psoriasis is a widespread skin disease affecting up to 2% population with plaque psoriasis accounting to about 80%. It can be identified as a red lesion and for the higher severity the lesion is usually covered with rough scale. Psoriasis Area Severity Index (PASI) scoring is the gold standard method for measuring psoriasis severity. Scaliness is one of PASI parameter that needs to be quantified in PASI scoring. Surface roughness of lesion can be used as a scaliness feature, since existing scale on lesion surface makes the lesion rougher. The dermatologist usually assesses the severity through their tactile sense, therefore direct contact between doctor and patient is required. The problem is the doctor may not assess the lesion objectively. In this paper, a digital image analysis technique is developed to objectively determine the scaliness of the psoriasis lesion and provide the PASI scaliness score. Psoriasis lesion is modelled by a rough surface. The rough surface is created by superimposing a smooth average (curve) surface with a triangular waveform. For roughness determination, a polynomial surface fitting is used to estimate average surface followed by a subtraction between rough and average surface to give elevation surface (surface deviations). Roughness index is calculated by using average roughness equation to the height map matrix. The roughness algorithm has been tested to 444 lesion models. From roughness validation result, only 6 models can not be accepted (percentage error is greater than 10%). These errors occur due the scanned image quality. Roughness algorithm is validated for roughness measurement on abrasive papers at flat surface. The Pearson-s correlation coefficient of grade value (G) of abrasive paper and Ra is -0.9488, its shows there is a strong relation between G and Ra. The algorithm needs to be improved by surface filtering, especially to overcome a problem with noisy data.

Keywords: psoriasis, roughness algorithm, polynomial surfacefitting.

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41 Exploring the Relationships between Job Satisfaction, Work Engagement and Loyalty of Academic Staff

Authors: I. Ludviga, A. Kalvina

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This paper aims to link together the concepts of job satisfaction, work engagement, trust, job meaningfulness and loyalty to the organisation focusing on specific type of employment – academic jobs. The research investigates the relationships between job satisfaction, work engagement and loyalty as well as the impact of trust and job meaningfulness on the work engagement and loyalty. The survey was conducted in one of the largest Latvian higher education institutions and the sample was drawn from academic staff (n=326). Structured questionnaire with 44 reflective type questions was developed to measure the constructs. Data was analysed using SPSS and Smart-PLS software. Variance based structural equation modelling (PLS-SEM) technique was used to test the model and to predict the most important factors relevant to employee engagement and loyalty. The first order model included two endogenous constructs (loyalty and intention to stay and recommend to work in this organisation, and employee engagement), as well as six exogenous constructs (feeling of fair treatment and trust in management; career growth opportunities; compensation, pay and benefits; management; colleagues and teamwork; and finally job meaningfulness). Job satisfaction was developed as second order construct and both: first and second order models were designed for data analysis. It was found that academics are more engaged than satisfied with their work and main reason for that was found to be job meaningfulness, which is significant predictor for work engagement, but not for job satisfaction. Compensation is not significantly related to work engagement, but only to job satisfaction. Trust was not significantly related neither to engagement, nor to satisfaction, however, it appeared to be significant predictor of loyalty and intentions to stay with the University. Paper revealed academic jobs as specific kind of employment where employees can be more engaged than satisfied and highlighted the specific role of job meaningfulness in the University settings.

Keywords: Job satisfaction, job meaningfulness, higher education, work engagement.

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40 Data Centers’ Temperature Profile Simulation Optimized by Finite Elements and Discretization Methods

Authors: José Alberto García Fernández, Zhimin Du, Xinqiao Jin

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Nowadays, data center industry faces strong challenges for increasing the speed and data processing capacities while at the same time is trying to keep their devices a suitable working temperature without penalizing that capacity. Consequently, the cooling systems of this kind of facilities use a large amount of energy to dissipate the heat generated inside the servers, and developing new cooling techniques or perfecting those already existing would be a great advance in this type of industry. The installation of a temperature sensor matrix distributed in the structure of each server would provide the necessary information for collecting the required data for obtaining a temperature profile instantly inside them. However, the number of temperature probes required to obtain the temperature profiles with sufficient accuracy is very high and expensive. Therefore, other less intrusive techniques are employed where each point that characterizes the server temperature profile is obtained by solving differential equations through simulation methods, simplifying data collection techniques but increasing the time to obtain results. In order to reduce these calculation times, complicated and slow computational fluid dynamics simulations are replaced by simpler and faster finite element method simulations which solve the Burgers‘ equations by backward, forward and central discretization techniques after simplifying the energy and enthalpy conservation differential equations. The discretization methods employed for solving the first and second order derivatives of the obtained Burgers‘ equation after these simplifications are the key for obtaining results with greater or lesser accuracy regardless of the characteristic truncation error.

Keywords: Burgers’ equations, CFD simulation, data center, discretization methods, FEM simulation, temperature profile.

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39 Turbine Follower Control Strategy Design Based on Developed FFPP Model

Authors: Ali Ghaffari, Mansour Nikkhah Bahrami, Hesam Parsa

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In this paper a comprehensive model of a fossil fueled power plant (FFPP) is developed in order to evaluate the performance of a newly designed turbine follower controller. Considering the drawbacks of previous works, an overall model is developed to minimize the error between each subsystem model output and the experimental data obtained at the actual power plant. The developed model is organized in two main subsystems namely; Boiler and Turbine. Considering each FFPP subsystem characteristics, different modeling approaches are developed. For economizer, evaporator, superheater and reheater, first order models are determined based on principles of mass and energy conservation. Simulations verify the accuracy of the developed models. Due to the nonlinear characteristics of attemperator, a new model, based on a genetic-fuzzy systems utilizing Pittsburgh approach is developed showing a promising performance vis-à-vis those derived with other methods like ANFIS. The optimization constraints are handled utilizing penalty functions. The effect of increasing the number of rules and membership functions on the performance of the proposed model is also studied and evaluated. The turbine model is developed based on the equation of adiabatic expansion. Parameters of all evaluated models are tuned by means of evolutionary algorithms. Based on the developed model a fuzzy PI controller is developed. It is then successfully implemented in the turbine follower control strategy of the plant. In this control strategy instead of keeping control parameters constant, they are adjusted on-line with regard to the error and the error rate. It is shown that the response of the system improves significantly. It is also shown that fuel consumption decreases considerably.

Keywords: Attemperator, Evolutionary algorithms, Fossil fuelled power plant (FFPP), Fuzzy set theory, Gain scheduling

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38 Expert Solutions to Affordable Housing Finance Challenges in Developing Economies

Authors: Timothy Akinwande, Eddie C. M. Hui

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Housing the urban poor has remained a challenge for many years across the world, especially in developing economies, despite the apparent research attention and policy interventions. It is apt to investigate the prevalent affordable housing (AH) provision challenges using unconventional approaches. It is pragmatic to thoroughly examine housing experts to provide supply-side solutions to AH challenges and investigate informal settlers to deduce solutions from AH demand viewpoints. This study, being the supply-side investigation of an ongoing research, interrogated housing experts to determine significant expert solutions. Focus group discussions and in-depth interviews were conducted with housing experts in Nigeria. Through descriptive, content, and systematic thematic analyses of data, major findings are that deliberate finance models designed for the urban poor are the most significant housing finance solution in developing economies. Other findings are that adequately implemented rent control policies, deliberate Public-Private Partnership (PPP) approaches like inclusionary housing and land-value capture, and urban renewal programs to enlighten and tutor the urban poor on how to earn more, spend wisely, and invest in their own better housing will effectively solve AH finance challenges. Study findings are informative for the best approaches to achieve effective, AH finance for the urban poor in Nigeria, which is indispensable for the achievement of sustainable development goals. This research’s originality lies in the exploration of experts’ opinions in relation to AH finance to produce an equation model of critical solutions to AH finance challenges. Study data are useful resources for future pro-poor housing studies. This study makes housing policy-oriented recommendations toward effective, AH for the urban poor in developing countries.

Keywords: Affordable housing, effective affordable housing, housing policy, housing research, sustainable development, urban poor.

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37 Digital Twins: Towards an Overarching Framework for the Built Environment

Authors: Astrid Bagireanu, Julio Bros-Williamson, Mila Duncheva, John Currie

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Digital Twins (DTs) have entered the built environment from more established industries like aviation and manufacturing, although there has never been a common goal for utilising DTs at scale. Their assimilation into the built environment lacked its very own handover documentation: how should DTs be implemented into a project and what responsibilities should each project stakeholder hold in the realisation of a DT vision. What is needed is an approach to translate these requirements into actionable DT dimensions. This paper presents a foundation for an overarching framework specific to the built environment. For the purposes of this research, the project timeline is established by referencing the Royal Institute of British Architects (RIBA) Plan of Work from 2020, providing a foundation for delineating project stages. The RIBA Plan of Work consists of eight stages designed to inform on the definition, briefing, design, coordination, construction, handover, and use of a built asset. Similar project stages are utilised in other countries; therefore, the recommendations from the interviews presented in this paper are applicable internationally. Simultaneously, there is not a single mainstream software resource that leverages DT abilities. This ambiguity meets an unparalleled ambition from governments and industries worldwide to achieve a national grid of interconnected DTs. For the construction industry to access these benefits, it necessitates a defined starting point. This research aims to provide a comprehensive understanding of the potential applications and ramifications of DT in the context of the built environment. This paper is an integral part of a larger research aimed at developing a conceptual framework for the Architecture, Engineering, and Construction (AEC) sector following a conventional project timeline. Therefore, this paper plays a pivotal role in providing practical insights and a tangible foundation for developing a stage-by-stage approach to assimilate the potential of DT within the built environment. First, the research focuses on a review of relevant literature, albeit acknowledging the inherent constraint of limited sources available. Secondly, a qualitative study compiling the views of 14 DT experts is presented, concluding with an inductive analysis of the interview findings - ultimately highlighting the barriers and strengths of DT in the context of framework development. As parallel developments aim to progress net-zero-centred design and improve project efficiencies across the built environment, the limited resources available to support DTs should be leveraged to propel the industry to reach its digitalisation era, in which AEC stakeholders have a fundamental role in understanding this, from the earliest stages of a project.

Keywords: Digital twins, decision making, design, net-zero, built environment.

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36 Influence of Organic Modifier Loading on Particle Dispersion of Biodegradable Polycaprolactone/Montmorillonite Nanocomposites

Authors: O. I. H. Dimitry, N. A. Mansour, A. L. G. Saad

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Natural sodium montmorillonite (NaMMT), Cloisite Na+ and two organophilic montmorillonites (OMMTs), Cloisites 20A and 15A were used. Polycaprolactone (PCL)/MMT composites containing 1, 3, 5, and 10 wt% of Cloisite Na+ and PCL/OMMT nanocomposites containing 5 and 10 wt% of Cloisites 20A and 15A were prepared via solution intercalation technique to study the influence of organic modifier loading on particle dispersion of PCL/ NaMMT composites. Thermal stabilities of the obtained composites were characterized by thermal analysis using the thermogravimetric analyzer (TGA) which showed that in the presence of nitrogen flow the incorporation of 5 and 10 wt% of filler brings some decrease in PCL thermal stability in the sequence: Cloisite Na+>Cloisite 15A > Cloisite 20A, while in the presence of air flow these fillers scarcely influenced the thermoxidative stability of PCL by slightly accelerating the process. The interaction between PCL and silicate layers was studied by Fourier transform infrared (FTIR) spectroscopy which confirmed moderate interactions between nanometric silicate layers and PCL segments. The electrical conductivity (σ) which describes the ionic mobility of the systems was studied as a function of temperature and showed that σ of PCL was enhanced on increasing the modifier loading at filler content of 5 wt%, especially at higher temperatures in the sequence: Cloisite Na+<Cloisite 20A<Cloisite 15A, and was then decreased to some extent with a further increase to 10 wt%. The activation energy Eσ obtained from the dependency of σ on temperature using Arrhenius equation was found to be lowest for the nanocomposite containing 5 wt% of Cloisite 15A. The dispersed behavior of clay in PCL matrix was evaluated by X-ray diffraction (XRD) and scanning electron microscopy (SEM) analyses which revealed partial intercalated structures in PCL/NaMMT composites and semi-intercalated/semi-exfoliated structures in PCL/OMMT nanocomposites containing 5 wt% of Cloisite 20A or Cloisite 15A.

Keywords: Polycaprolactone, organoclay, nanocomposite, montmorillonite, electrical conductivity, activation energy, exfoliation, intercalation.

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35 Value Index, a Novel Decision Making Approach for Waste Load Allocation

Authors: E. Feizi Ashtiani, S. Jamshidi, M.H Niksokhan, A. Feizi Ashtiani

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Waste load allocation (WLA) policies may use multiobjective optimization methods to find the most appropriate and sustainable solutions. These usually intend to simultaneously minimize two criteria, total abatement costs (TC) and environmental violations (EV). If other criteria, such as inequity, need for minimization as well, it requires introducing more binary optimizations through different scenarios. In order to reduce the calculation steps, this study presents value index as an innovative decision making approach. Since the value index contains both the environmental violation and treatment costs, it can be maximized simultaneously with the equity index. It implies that the definition of different scenarios for environmental violations is no longer required. Furthermore, the solution is not necessarily the point with minimized total costs or environmental violations. This idea is testified for Haraz River, in north of Iran. Here, the dissolved oxygen (DO) level of river is simulated by Streeter-Phelps equation in MATLAB software. The WLA is determined for fish farms using multi-objective particle swarm optimization (MOPSO) in two scenarios. At first, the trade-off curves of TC-EV and TC-Inequity are plotted separately as the conventional approach. In the second, the Value-Equity curve is derived. The comparative results show that the solutions are in a similar range of inequity with lower total costs. This is due to the freedom of environmental violation attained in value index. As a result, the conventional approach can well be replaced by the value index particularly for problems optimizing these objectives. This reduces the process to achieve the best solutions and may find better classification for scenario definition. It is also concluded that decision makers are better to focus on value index and weighting its contents to find the most sustainable alternatives based on their requirements.

Keywords: Waste load allocation (WLA), Value index, Multi objective particle swarm optimization (MOPSO), Haraz River, Equity.

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34 Fuzzy Power Controller Design for Purdue University Research Reactor-1

Authors: Oktavian Muhammad Rizki, Appiah Rita, Lastres Oscar, Miller True, Chapman Alec, Tsoukalas Lefteri H.

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The Purdue University Research Reactor-1 (PUR-1) is a 10 kWth pool-type research reactor located at Purdue University’s West Lafayette campus. The reactor was recently upgraded to use entirely digital instrumentation and control systems. However, currently, there is no automated control system to regulate the power in the reactor. We propose a fuzzy logic controller as a form of digital twin to complement the existing digital instrumentation system to monitor and stabilize power control using existing experimental data. This work assesses the feasibility of a power controller based on a Fuzzy Rule-Based System (FRBS) by modelling and simulation with a MATLAB algorithm. The controller uses power error and reactor period as inputs and generates reactivity insertion as output. The reactivity insertion is then converted to control rod height using a logistic function based on information from the recorded experimental reactor control rod data. To test the capability of the proposed fuzzy controller, a point-kinetic reactor model is utilized based on the actual PUR-1 operation conditions and a Monte Carlo N-Particle simulation result of the core to numerically compute the neutronics parameters of reactor behavior. The Point Kinetic Equation (PKE) was employed to model dynamic characteristics of the research reactor since it explains the interactions between the spatial and time varying input and output variables efficiently. The controller is demonstrated computationally using various cases: startup, power maneuver, and shutdown. From the test results, it can be proved that the implemented fuzzy controller can satisfactorily regulate the reactor power to follow demand power without compromising nuclear safety measures.

Keywords: Fuzzy logic controller, power controller, reactivity, research reactor.

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33 Reconsidering the Palaeo-Environmental Reconstruction of the Wet Zone of Sri Lanka: A Zooarchaeological Perspective

Authors: Kalangi Rodrigo, Kelum Manamendra-Arachchi

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Bones, teeth, and shells have been acknowledged over the last two centuries as evidence of chronology, Palaeo-environment, and human activity. Faunal traces are valid evidence of past situations because they have properties that have not changed over long periods. Sri Lanka has been known as an Island, which has a diverse variety of prehistoric occupation among ecological zones. Defining the Paleoecology of the past societies has been an archaeological thought developed in the 1960s. It is mainly concerned with the reconstruction from available geological and biological evidence of past biota, populations, communities, landscapes, environments, and ecosystems. This early and persistent human fossil, technical, and cultural florescence, as well as a collection of well-preserved tropical-forest rock shelters with associated 'on-site ' Palaeoenvironmental records, makes Sri Lanka a central and unusual case study to determine the extent and strength of early human tropical forest encounters. Excavations carried out in prehistoric caves in the low country wet zone has shown that in the last 50,000 years, the temperature in the lowland rainforests has not exceeded 5 degrees. Based on Semnopithecus Priam (Gray Langur) remains unearthed from wet zone prehistoric caves, it has been argued periods of momentous climate changes during the Last Glacial Maximum (LGM) and Terminal Pleistocene/Early Holocene boundary, with a recognizable preference for semi-open ‘Intermediate’ rainforest or edges. Continuous genus Acavus and Oligospira occupation along with uninterrupted horizontal pervasive of Canarium sp. (‘kekuna’ nut) have proven that temperatures in the lowland rain forests have not changed by at least 5 °C over the last 50,000 years. Site catchment or territorial analysis cannot be any longer defensible, due to time-distance based factors as well as optimal foraging theory failed as a consequence of prehistoric people were aware of the decrease in cost-benefit ratio and located sites, and generally played out a settlement strategy that minimized the ratio of energy expended to energy produced.

Keywords: Palaeo-environment, palaeo-ecology, palaeo-climate, prehistory, zooarchaeology.

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32 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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