Search results for: kinetic modeling

Authors: Hooman Dabirmanesh, Mahmoud Ghazavi, Kazem Barkhordari

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A finite element modeling for determination of the bearing capacity of caissons subjected to inclined loads is presented in this paper. The model investigates the uplift capacity of the caisson with varying cross sectional area. To this aim, the behavior of the soil is assumed to be elasto-plastic, and its failure is controlled by Modified Cam-Clay failure criterion. The simulation takes into account the couple analysis. The approach is verified using available data from other research work especially centrifuge data. Parametric studies are subsequently performed to investigate the effect of contributing parameters such as aspect ratio of the caisson, the loading rate, the loading direction angle, and points where the external load is applied. In addition, the influence of the caisson geometry is taken into account. The results show the bearing capacity of the caisson increases with increasing the taper angle. Hence, the pullout capacity will increase using the same material. In addition, the bearing capacity of caissons strongly depends on the suction that is generated at tip and in sealed surface on top of caisson. Other results concerning the influencing factors will be presented.

Keywords: aspect ratio, finite element method, inclined load, modified Cam clay, taper angle, undrained condition

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Authors: Azreen Jihan Che Mohd Hashim, Rosidah Musa

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Although 'Spiritual Intelligence' (SI) is hard to measure, it is impossible without a noble value that may affect the attitude in purchasing behavior process, so this paper aims to report on a pilot study analysis results in order to evaluate the degree of SI towards consumers’ attitude in purchasing halal cosmetics and, in turn, to reaffirm intention to purchase by using Theory Planned Behaviour (TPB). It is a descriptive cross-sectional study among the Muslim women as the subjects, working and staying in Klang valley area in Malaysia. The purpose of the study is to develop a new measurement scale to unravel and decompose the underlying dimensions of SI from the perspective of the Muslim deemed imperative. About 200 respondents of users and non-users of halal cosmetics are selected. The structure equation modeling (SEM) was conducted to examine the relationships among god, society and self, which are the dimensions of SI. A finding indicates that, in influencing attitude, those who obligate high spiritual intelligence have a good relationship with god, society and self which may influence them to purchase halal cosmetic product. This study offers important findings and implications for future research as it presents a framework on the importance of SI.

Keywords: spiritual intelligence, god, society, self, young adult Muslim female

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Authors: Mehry Daraei

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The goal of this study was to survey the components and affective factors on organizational commitment of Islamic Azad university Khoramabad Baranch’s faculty members. The research method was correlation by causal modeling and data were gathered by questionnaire. Statistical society consisted of 147 faculty members in Islamic Azad University Khoramabad Branch and sample size was determined as 106 persons by Morgan’s sample table that were selected by class sampling. Correlation test, T-single group test and path analysis test were used for analysis of data. Data were analyzed by Lisrel software. The results showed that organizational corporate was the most effective element on organizational commitment and organizational corporate, experience work and organizational justice were only in direct relation with organizational commitment. Also, job security had direct and indirect effect on OC. Job security had effect on OC by gender. Gender variable had direct and indirect effect on OC. Gender had effect on OC by organizational corporate. Job opportunities out of university also had direct and indirect effect on OC, which means job opportunities had indirect effect on OC by organizational corporate.

Keywords: organization, commitment, job security, Islamic Azad University

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Authors: Hamidreza Ghazvinian, Khosro Ghazvinian, Touba Khodaiean

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The importance of evaporation estimation in water resources and agricultural studies is undeniable. Pan evaporation are used as an indicator to determine the evaporation of lakes and reservoirs around the world due to the ease of interpreting its data. In this research, intelligent models were investigated in estimating pan evaporation on a daily basis. Shahroud and Mayamey were considered as the studied cities. These two cities are located in Semnan province in Iran. The mentioned cities have dry weather conditions that are susceptible to high evaporation potential. Meteorological data of 11 years of synoptic stations of Shahrood and Mayamey cities were used. The intelligent models used in this study are Artificial Neural Network (ANN), Least Squares Support Vector Machine (LSSVM), and M5 tree models. Meteorological parameters of minimum and maximum air temperature (Tmax, Tmin), wind speed (WS), sunshine hours (SH), air pressure (PA), relative humidity (RH) as selected input data and evaporation data from pan (EP) to The output data was considered. 70% of data is used at the education level, and 30 % of the data is used at the test level. Models used with explanation coefficient evaluation (R2) Root of Mean Squares Error (RMSE) and Mean Absolute Error (MAE). The results for the two Shahroud and Mayamey stations showed that the above three models' operations are rather appropriate.

Keywords: pan evaporation, intelligent methods, shahroud, mayamey

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Authors: Valentina A. Mikhailova, Serguei V. Feskov, Anatoly I. Ivanov

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In the last decade the nonequilibrium charge transfer have attracted considerable interest from the scientific community. Examples of such processes are the charge recombination in excited donor-acceptor complexes and the intramolecular electron transfer from the second excited electronic state. In these reactions the charge transfer proceeds predominantly in the nonequilibrium mode. In the excited donor-acceptor complexes the nuclear nonequilibrium is created by the pump pulse. The intramolecular electron transfer from the second excited electronic state is an example where the nuclear nonequilibrium is created by the forward electron transfer. The kinetics of these nonequilibrium reactions demonstrate a number of peculiar properties. Most important from them are: (i) the absence of the Marcus normal region in the free energy gap law for the charge recombination in excited donor-acceptor complexes, (ii) extremely low quantum yield of thermalized charge separated state in the ultrafast charge transfer from the second excited state, (iii) the nonexponential charge recombination dynamics in excited donor-acceptor complexes, (iv) the dependence of the charge transfer rate constant on the excitation pulse frequency. This report shows that most of these kinetic features can be well reproduced in the framework of stochastic point-transition multichannel model. The model involves an explicit description of the nonequilibrium excited state formation by the pump pulse and accounts for the reorganization of intramolecular high-frequency vibrational modes, for their relaxation as well as for the solvent relaxation. The model is able to quantitatively reproduce complex nonequilibrium charge transfer kinetics observed in modern experiments. The interpretation of the nonequilibrium effects from a unified point of view in the terms of the multichannel point transition stochastic model allows to see similarities and differences of electron transfer mechanism in various molecular donor-acceptor systems and formulates general regularities inherent in these phenomena. The nonequilibrium effects in photoinduced ultrafast charge transfer which have been studied for the last 10 years are analyzed. The methods of suppression of the ultrafast charge recombination, similarities and dissimilarities of electron transfer mechanism in different molecular donor-acceptor systems are discussed. The extremely low quantum yield of the thermalized charge separated state observed in the ultrafast charge transfer from the second excited state in the complex consisting of 1,2,4-trimethoxybenzene and tetracyanoethylene in acetonitrile solution directly demonstrates that its effectiveness can be close to unity. This experimental finding supports the idea that the nonequilibrium charge recombination in the excited donor-acceptor complexes can be also very effective so that the part of thermalized complexes is negligible. It is discussed the regularities inherent to the equilibrium and nonequilibrium reactions. Their fundamental differences are analyzed. Namely the opposite dependencies of the charge transfer rates on the dynamical properties of the solvent. The increase of the solvent viscosity results in decreasing the thermal rate and vice versa increasing the nonequilibrium rate. The dependencies of the rates on the solvent reorganization energy and the free energy gap also can considerably differ. This work was supported by the Russian Science Foundation (Grant No. 16-13-10122).

Keywords: Charge recombination, higher excited states, free energy gap law, nonequilibrium

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Authors: Seyyed Mohammad Hasheminia, Heoung Jae Chun, Jong Chan Park, Hong Suk Chang

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Composite joints have been getting attention recently due to their high specific mechanical strength to weight ratio that is crucial for structures such as aircrafts and automobiles. In this study on hybrid joints, quasi-static experiments and finite element analysis were performed to investigate the failure mechanism of hybrid composite joint with respect to the joint properties such as the adhesive material, clamping force, and joint geometry. The outcomes demonstrated that the stiffness of the adhesive is the most imperative design parameter. In this investigation, two adhesives with various stiffness values were utilized. Regarding the joints utilizing the adhesive with the lower stiffness modulus, it was observed that the load was exchanged promptly through the adhesive since it was shared more proficiently between the bolt and adhesive. This phenomenon permitted the hybrid joints with low-modulus adhesive to support more prominent loads before failure when contrasted with the joints that utilize the stiffer adhesive. In the next step, the stress share between the bond and bolt as a function of various design parameters was studied using a finite element model in which it was understood that the geometrical parameters such as joint overlap and width have a significant influence on the load sharing between the bolt and the adhesive.

Keywords: composite joints, composite materials, hybrid joints, single-lap joint

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Authors: Sara Mahesar, Saleem M. Chandio, Hira Soomro

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Nonlinear system of equations in two variables is a system which contains variables of degree greater or equal to two or that comprises of the transcendental functions. Mathematical modeling of numerous physical problems occurs as a system of nonlinear equations. In applied and pure mathematics it is the main dispute to solve a system of nonlinear equations. Numerical techniques mainly used for finding the solution to problems where analytical methods are failed, which leads to the inexact solutions. To find the exact roots or solutions in case of the system of non-linear equations there does not exist any analytical technique. Various methods have been proposed to solve such systems with an improved rate of convergence and accuracy. In this paper, a new scheme is developed for solving system of non-linear equation in two variables. The iterative scheme proposed here is modified form of the conventional Newton’s Method (CN) whose order of convergence is two whereas the order of convergence of the devised technique is three. Furthermore, the detailed error and convergence analysis of the proposed method is also examined. Additionally, various numerical test problems are compared with the results of its counterpart conventional Newton’s Method (CN) which confirms the theoretic consequences of the proposed method.

Keywords: conventional Newton’s method, modified Newton’s method, order of convergence, system of nonlinear equations

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Authors: Awol Seid Ebrie

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HIV results as an incurable disease, AIDS. After a person is infected with virus, the virus gradually destroys all the infection fighting cells called CD4 cells and makes the individual susceptible to opportunistic infections which cause severe or fatal health problems. Several studies show that the CD4 cells count is the most determinant indicator of the effectiveness of the treatment or progression of the disease. The objective of this paper is to investigate the progression of the disease over time among patient under HAART treatment. Two main approaches of the generalized multilevel ordinal models; namely the proportional odds model and the nonproportional odds model have been applied to the HAART data. Also, the multilevel part of both models includes random intercepts and random coefficients. In general, four models are explored in the analysis and then the models are compared using the deviance information criteria. Of these models, the random coefficients nonproportional odds model is selected as the best model for the HAART data used as it has the smallest DIC value. The selected model shows that the progression of the disease increases as the time under the treatment increases. In addition, it reveals that gender, baseline clinical stage and functional status of the patient have a significant association with the progression of the disease.

Keywords: nonproportional odds model, proportional odds model, random coefficients model, random intercepts model

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Authors: Pawel Martynowicz

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Vibrations are a crucial problem for slender structures such as towers, masts, chimneys, wind turbines, bridges, high buildings, etc., that is why most of them are equipped with vibration attenuation or fatigue reduction solutions. In this work, a slender structure (i.e., wind turbine tower-nacelle model) equipped with nonlinear, semiactive tuned vibration absorber(s) is analyzed. For this study purposes, magnetorheological (MR) dampers are used as semiactive actuators. Several optimal-based approaches to structural vibration attenuation are investigated against the standard ‘ground-hook’ law and passive tuned vibration absorber(s) implementations. The common approach to optimal control of nonlinear systems is offline computation of the optimal solution, however, so determined open loop control suffers from lack of robustness to uncertainties (e.g., unmodelled dynamics, perturbations of external forces or initial conditions), and thus perturbation control techniques are often used. However, proper linearization may be an issue for highly nonlinear systems with implicit relations between state, co-state, and control. The main contribution of the author is the development as well as numerical and experimental verification of the Pontriagin maximum-principle-based vibration control concepts that produce directly actuator control input (not the demanded force), thus force tracking algorithm that results in control inaccuracy is entirely omitted. These concepts, including one-step optimal control, quasi-optimal control, and optimal-based modified ‘ground-hook’ law, can be directly implemented in online and real-time feedback control for periodic (or semi-periodic) disturbances with invariant or time-varying parameters, as well as for non-periodic, transient or random disturbances, what is a limitation for some other known solutions. No offline calculation, excitations/disturbances assumption or vibration frequency determination is necessary, moreover, all of the nonlinear actuator (MR damper) force constraints, i.e., no active forces, lower and upper saturation limits, hysteresis-type dynamics, etc., are embedded in the control technique, thus the solution is optimal or suboptimal for the assumed actuator, respecting its limitations. Depending on the selected method variant, a moderate or decisive reduction in the computational load is possible compared to other methods of nonlinear optimal control, while assuring the quality and robustness of the vibration reduction system, as well as considering multi-pronged operational aspects, such as possible minimization of the amplitude of the deflection and acceleration of the vibrating structure, its potential and/or kinetic energy, required actuator force, control input (e.g. electric current in the MR damper coil) and/or stroke amplitude. The developed solutions are characterized by high vibration reduction efficiency – the obtained maximum values of the dynamic amplification factor are close to 2.0, while for the best of the passive systems, these values exceed 3.5.

Keywords: magnetorheological damper, nonlinear tuned vibration absorber, optimal control, real-time structural vibration attenuation, wind turbines

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Authors: Melodi Mbuyi Mata, Blessing Olamide Taiwo, Afolabi Ayodele David

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The purpose of this research is to create empirical models for assessing the profitability of granite aggregate production in Akure, Ondo state aggregate quarries. In addition, an artificial neural network (ANN) model and multivariate predicting models for granite profitability were developed in the study. A formal survey questionnaire was used to collect data for the study. The data extracted from the case study mine for this study includes granite marketing operations, royalty, production costs, and mine production information. The following methods were used to achieve the goal of this study: descriptive statistics, MATLAB 2017, and SPSS16.0 software in analyzing and modeling the data collected from granite traders in the study areas. The ANN and Multi Variant Regression models' prediction accuracy was compared using a coefficient of determination (R²), Root mean square error (RMSE), and mean square error (MSE). Due to the high prediction error, the model evaluation indices revealed that the ANN model was suitable for predicting generated profit in a typical quarry. More quarries in Nigeria's southwest region and other geopolitical zones should be considered to improve ANN prediction accuracy.

Keywords: national development, granite, profitability assessment, ANN models

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Authors: Abdelmalk Brahma

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Drying is a phenomenon that accompanies the hardening of hydraulic materials. It can, if it is not prevented, lead to significant spontaneous dimensional variations, which the cracking is one of events. In this context, cracking promotes the transport of aggressive agents in the material, which can affect the durability of concrete structures. Drying shrinkage develops over a long period almost 30 years although most occurred during the first three years. Drying shrinkage stabilizes when the material is water balance with the external environment. The drying shrinkage of cementitious materials is due to the formation of capillary tensions in the pores of the material, which has the consequences of bringing the solid walls of each other. Knowledge of the shrinkage characteristics of concrete is a necessary starting point in the design of structures for crack control. Such knowledge will enable the designer to estimate the probable shrinkage movement in reinforced or prestressed concrete and the appropriate steps can be taken in design to accommodate this movement. This study is concerned the modelling of drying shrinkage of the hydraulic materials and the prediction of the rate of spontaneous deformations of hydraulic materials during hardening. The model developed takes in consideration the main factors affecting drying shrinkage. There was agreement between drying shrinkage predicted by the developed model and experimental results. In last we show that developed model describe the evolution of the drying shrinkage of high performances concretes correctly.

Keywords: drying, hydraulic concretes, shrinkage, modeling, prediction

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Authors: Jacob A. Braun

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This paper uses mathematical modeling to show the spread of Herpes Simplex type-2 with and without the usage of condoms in a college population. The model uses four differential equations to calculate the data for the simulation. The dt increment used is one week. It also runs based on a fixated period. The period chosen was five years to represent time spent in college. The average age of the individual is 21, once again to represent the age of someone in college. In the total population, there are almost two times as many women who have Herpes Simplex Type-2 as men. Additionally, Herpes Simplex Type-2 does not have a known cure. The goal of the model is to show how condom usage affects women’s chances of receiving the virus in the hope of being able to reduce the number of women infected. In the end, the model demonstrates that condoms offer significant protection to women from the virus. Since fewer women are infected with the virus when condoms are used, in turn, fewer males are infected. Since Herpes Simplex Type-2 affects the carrier for their whole life, a small decrease of infections could lead to large ramifications over time. Specifically, a small decrease of infections at a young age, such as college, could have a very big effect on the long-term number of people infected with the virus.

Keywords: college, condom, Herpes, mathematical modelling

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Authors: Adilla Anggraeni

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The purpose of the paper is to investigate the effects of religiosity and subjective knowledge towards initial trust that a consumer has towards a product manufacturer. Since globalization enters the point of no return, it should be acknowledged that further exploration of country of origin image, its influences and possible limiting factors is imperative. This model aims to broaden COO-related research, especially related to different product categories based on the perception of consumers in emerging markets. The study employs quantitative method, aiming to involve 200 Indonesian respondents to evaluate different product categories (food/apparel). Relationships between variables are evaluated using structural equation modeling. It is expected that subjective knowledge will have significant influence towards initial trust that an individual possesses towards food products. A major contribution of this study will be the inclusion of religiosity and subjective knowledge in the country of origin study’s body of knowledge. Companies are also expected to benefit from the study as the acceleration of globalization may again repose the question of whether companies should market their product using similar strategies across different countries or different ones. Religiosity dimension is expected to add values to international marketing literature concerning emerging economies in particular, as many companies view the emerging economies as promising markets.

Keywords: country of origin, subjective knowledge, initial trust, emerging economy, Indonesia

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Authors: Carlos Cuenca, Diego Sarzosa

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Ductile fracture occurs by the mechanism of void nucleation, void growth and coalescence. Potential sites for initiation are second phase particles or non-metallic inclusions. Modelling of ductile damage at the microscopic level is very difficult and complex task for engineers. Therefore, conservative predictions of ductile failure using simple models are necessary during the design and optimization of critical structures like pressure vessels and pipelines. Nowadays, it is well known that the initiation phase is strongly influenced by the stress triaxiality and plastic deformation at the microscopic level. Thus, a simple model used to study the ductile failure under multiaxial stress condition is the Stress Modified Critical Strain (SMCS) approach. Ductile rupture has been study for a structural steel under different stress triaxiality conditions using the SMCS method. Experimental tests are carried out to characterize the relation between stress triaxiality and equivalent plastic strain by notched round bars. After calibration of the plasticity and damage properties, predictions are made for low constraint bending specimens with and without side grooves. Stress/strain fields evolution are compared between the different geometries. Advantages and disadvantages of the SMCS methodology are discussed.

Keywords: damage, SMSC, SEB, steel, failure

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Authors: Hassan Barau Singhry

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Purpose: Leadership or the absence of it is an important behaviour affecting employees’ job satisfaction. Although, there are many models of leadership, one that stands out in a period of change is the transformational behaviour. The aim of this study is to investigate the role of an organizational justice on the relationship between transformational leadership and employee job satisfaction. The study is based on the assumption that change begins with leaders and leaders should be fair and just. Methodology: A cross-sectional survey through structured questionnaire was employed to collect the data of this study. The population is selected the three tiers of government such as the local, state, and federal governments in Nigeria. The sampling method used in this research is stratified random sampling. 418 middle managers of public organizations respondents to the questionnaire. Multiple regression aided by structural equation modeling was employed to test 4 hypothesized relationships. Finding: The regression results support for the mediating role of organizational justice such as distributive, procedural, interpersonal and informational justice in the link between transformational leadership and job satisfaction. Originality/value: This study adds to the literature of human resource management by empirically validating and integrating transformational leadership behaviour with the four dimensions of organizational justice theory. The study is expected to be beneficial to the top and middle-level administrators as well as theory building and testing.

Keywords: distributive justice, job satisfaction, organizational justice, procedural justice, transformational leadership

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Authors: Ceren Vardar Acar, Mine Caglar

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In finance, the price of a volatile asset can be modeled using fractional Brownian motion (fBm) with Hurst parameter H>1/2. The Black-Scholes model for the values of returns of an asset using fBm is given as, 〖Y_t=Y_0 e^((r+μ)t+σB)〗_t^H, 0≤t≤T where Y_0 is the initial value, r is constant interest rate, μ is constant drift and σ is constant diffusion coefficient of fBm, which is denoted by B_t^H where t≥0. Black-Scholes model can be constructed with some Markov processes such as Brownian motion. The advantage of modeling with fBm to Markov processes is its capability of exposing the dependence between returns. The real life data for a volatile asset display long-range dependence property. For this reason, using fBm is a more realistic model compared to Markov processes. Investors would be interested in any kind of information on the risk in order to manage it or hedge it. The maximum possible loss is one way to measure highest possible risk. Therefore, it is an important variable for investors. In our study, we give some theoretical bounds on the distribution of maximum possible loss of fBm. We provide both asymptotical and strong estimates for the tail probability of maximum loss of standard fBm and fBm with drift and diffusion coefficients. In the investment point of view, these results explain, how large values of possible loss behave and its bounds.

Keywords: maximum drawdown, maximum loss, fractional brownian motion, large deviation, Gaussian process

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Authors: Sun Shi, Sun Cheng

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The pedestrian corridor is the most crowded area in the public space. The crowded severity has been focused on the field of evacuation strategies of the entrance in large public spaces. The aim of this paper is to analyze the walking efficiency in different spaces of pedestrian corridor with the variation of spatial parameters. The congestion condition caused by the variation of walking efficiency is modeled as well. This study established the space model of the walking corridor by setting the width, slope, turning form and turning angle of the pedestrian corridor. The pedestrian preference of walking mode varied with the difference of the crowded severity, walking speed, field of vision, sight direction and the expected destination, which is influenced by the characters of physical space form. Swarm software is applied to build Agent model. According to the output of the Agent model, the relationship between the pedestrian corridor width, ground slope, turning forms, turning angle and the walking efficiency, crowded severity is acquired. The results of the simulation can be applied to pedestrian corridor design in order to reduce the crowded severity and the potential safety risks caused by crowded people.

Keywords: crowded severity, multi-agent, pedestrian preference, urban space design

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Authors: Yasser Gaber, Mohamed Ismail, Serena Bisagni, Mohamad Takwa, Rajni Hatti-Kaul

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Enzymes are safe and selective catalysts. They skillfully catalyze chemical reactions; however, the native form is not usually suitable for industrial applications. Enzymes are therefore engineered by several techniques to meet the required catalytic task. Clopidogrel is recorded among the five best selling pharmaceutical in 2010 under the brand name Plavix. The commonly used route for production of the drug on an industrial scale is the synthesis of the racemic mixture followed by diastereomeric resolution to obtain the pure S isomer. The process consumes a lot of solvents and chemicals. We have evaluated a biocatalytic cleaner approach for asymmetric hydrolysis of racemic clopidogrel. Initial screening of a selected number of hydrolases showed only one enzyme EST to exhibit activity and selectivity towards the desired stereoisomer. As the crude EST is a mixture of several isoenzymes, a homology model of EST-1 was used in molecular dynamic simulations to study the interaction of the enzyme with R and S isomers of clopidogrel. Analysis of the geometric hindrances of the tetrahedral intermediates revealed a potential site for mutagenesis in order to improve the activity and the selectivity. Single point mutation showed dramatic increase in activity and inversion of the enantioselectivity (400 fold change in E value).

Keywords: biocatalysis, biotechnology, enzyme, protein engineering, molecular modeling

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Authors: Abdulrahman Aljabri, Essam R. I. Mahmoud, Hamad Almohamedi, Zhengyi Jiang

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Cold rolled thin strip has received intensive attention through technological and theoretical progress in the rolling process, as well as researchers have focused on its control during rolling as an essential parameter for producing thinner strip with good shape and profile. An advanced approach has been proposed to analysis the thin strip profile in cold rolling of pair roll crossing and shifting mill using Finite Element Analysis (FEA) with an ALE technique. The ALE (Arbitrary Lagrangian-Eulerian) techniques to enable more flexibility of the ALE technique in the adjustment of the finite element mesh, which provides a significant tool for simulating the thin strip under realistic rolling process constraint and provide accurate model results. The FEA can provide theoretical basis for the 3D model of controlling the strip shape and profile in thin strip rolling, and deliver an optimal rolling process parameter, and suggest corrective changes during cold rolling of thin strip.

Keywords: pair roll crossing, work roll shifting, strip shape and profile, finite element modeling

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Authors: Madhusudan Purohit, Stephen Philip, Bharathkumar Inturi

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In this paper we report the quantitative structure activity relationship of novel bis-triazole derivatives for predicting the activity profile. The full model encompassed a dataset of 46 Bis- triazoles. Tripos Sybyl X 2.0 program was used to conduct CoMSIA QSAR modeling. The Partial Least-Squares (PLS) analysis method was used to conduct statistical analysis and to derive a QSAR model based on the field values of CoMSIA descriptor. The compounds were divided into test and training set. The compounds were evaluated by various CoMSIA parameters to predict the best QSAR model. An optimum numbers of components were first determined separately by cross-validation regression for CoMSIA model, which were then applied in the final analysis. A series of parameters were used for the study and the best fit model was obtained using donor, partition coefficient and steric parameters. The CoMSIA models demonstrated good statistical results with regression coefficient (r2) and the cross-validated coefficient (q2) of 0.575 and 0.830 respectively. The standard error for the predicted model was 0.16322. In the CoMSIA model, the steric descriptors make a marginally larger contribution than the electrostatic descriptors. The finding that the steric descriptor is the largest contributor for the CoMSIA QSAR models is consistent with the observation that more than half of the binding site area is occupied by steric regions.

Keywords: 3D QSAR, CoMSIA, triazoles, novel heterocycles

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Authors: Eduardo Martínez González, Mousumi Dey, Pekka Peljo

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Transitioning to a renewable energy model is inevitable owing to the effects of climate change. These energies are aimed at sustainability and a positive impact on the environment, but they are intermittent energies; their connection to the electrical grid depends on creating long-term, efficient, and low-cost energy storage devices. Redox flow batteries are attractive technologies to address this problem, as they store energy in solution through external tanks known as posolyte (solution to storage positive charge) and negolyte (solution to storage negative charge). During the charging process of the device, the posolyte and negolyte solutions are pumped into an electrochemical cell (which has the anode and cathode separated by an ionic membrane), where they undergo oxidation and reduction reactions at electrodes, respectively. The electrogenerated species should be stable and diffuse into the bulk solution. It has been possible to connect gigantic redox flow batteries to the electrical grid. However, the devices created do not fit with the sustainability criteria since their electroactive material consists of vanadium (material scarce and expensive) solutions dissolved in an acidic medium (e.g., 9 mol L-1 of H₂SO₄) that is highly corrosive; so, work is being done on the design of organic-electroactive electrolytes (posolytes and nogolytes) for their operation at different pH values, including neutral medium. As a main characteristic, negolyte species should have low reduction potential values, while the reverse is true for the oxidation process of posolytes. A wide variety of negolytes that store 1 and up to 2 electrons per molecule (in aqueous medium) have been publised. Gallocyanine compound was recently introduced as an electroactive material for developing alkaline flow battery negolytes. The system can storage two electrons per molecule, but its unexpectedly low water solubility was improved with an amino sulphonic acid additive. The cycling stability of and improved gallocyanine electrolyte was demonstrated by operating a flow battery cell (pairing the system to a posolyte composed of ferri/ferrocyanide solution) outside a glovebox. We also discovered that the additive improves the solubility of gallocyanine, but there is a kinetic price to pay for this advantage. Therefore, in this work, the effect of different amino sulphonic acid derivatives on the kinetics and solubility of gallocyanine compound was studied at alkaline solutions. The additive providing a faster electron transfer rate and high solubility was tested in a flow battery cell. An aqueous organic flow battery electrolyte working outside a glovebox with 15 mAhL-1 will be discussed. Acknowledgments: To Bi3BoostFlowBat Project (2021-2025), funded by the European Research Concil. For support with infrastructure, reagents, and a postdoctoral fellowship to Dr. Martínez-González.

Keywords: alkaline flow battery, gallocyanine electroactive material, amine-sulphonic acid additives, improved solubility

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Authors: Allouache Nadia

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Solid adsorption cooling machines have been extensively studied recently. They constitute very attractive solutions recover important amount of industrial waste heat medium temperature and to use renewable energy sources such as solar energy. The development of the technology of these machines can be carried out by experimental studies and by mathematical modelisation. This last method allows saving time and money because it is suppler to use to simulate the variation of different parameters. The adsorption cooling machines consist essentially of an evaporator, a condenser and a reactor (object of this work) containing a porous medium, which is in our case the activated carbon reacting by adsorption with ammoniac. The principle can be described as follows: When the adsorbent (at temperature T) is in exclusive contact with vapour of adsorbate (at pressure P), an amount of adsorbate is trapped inside the micro-pores in an almost liquid state. This adsorbed mass m, is a function of T and P according to a divariant equilibrium m=f (T,P). Moreover, at constant pressure, m decreases as T increases, and at constant adsorbed mass P increases with T. This makes it possible to imagine an ideal refrigerating cycle consisting of a period of heating/desorption/condensation followed by a period of cooling/adsorption/evaporation. Effect of key parameters on the machine performances are analysed and discussed.

Keywords: activated carbon-ammoniac pair, effect of key parameters, numerical modeling, solar cooling machine

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Authors: Fatemehsadat Mortazavizadeh, Amin Dehghani, Majid Mirzaei, Nurulhuda Binti Mohammad Ramli, Adnan Dehghani

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Flood is Malaysia's most common and serious natural disaster. Kelantan River Basin is a tropical basin that experiences a rainy season during North-East Monsoon from November to March. It is also one of the hardest hit areas in Peninsular Malaysia during the heavy monsoon rainfall. Considering the consequences of the flood events, it is essential to develop the flood inundation map as part of the mitigation approach. In this study, the delineation of flood inundation zone in the area of Kelantan River basin using a hydrodynamic model is done by HEC-RAS, QGIS and ArcMap. The streamflow data has been generated with the weather generator based on the observation data. Then, the data is statistically analyzed with the Extreme Value (EV1) method for 2-, 5-, 25-, 50- and 100-year return periods. The minimum depth, maximum depth, mean depth, and the standard deviation of all the scenarios, including the OBS, are observed and analyzed. Based on the results, generally, the value of the data increases with the return period for all the scenarios. However, there are certain scenarios that have different results, which not all the data obtained are increasing with the return period. Besides, OBS data resulted in the middle range within Scenario 1 to Scenario 40.

Keywords: flood inundation, kelantan river basin, hydrodynamic model, extreme value analysis

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Authors: Daidai Shen, Jean Claude Thill, Wenjia Zhang

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This study explores the dynamics of synergy and complementarity within city networks, specifically focusing on the headquarters-subsidiary relations of firms. We begin by defining these two types of networks and establishing their pivotal roles in shaping city network structures. Utilizing the mesoscale analytic approach of weighted stochastic block modeling, we discern relational patterns between city pairs and determine connection strengths through statistical inference. Furthermore, we introduce a community detection approach to uncover the underlying structure of these networks using advanced statistical methods. Our analysis, based on comprehensive network data up to 2017, reveals the coexistence of both complementarity and synergy networks within China’s technology-intensive manufacturing cities. Notably, firms in technology hardware and office & computing machinery predominantly contribute to the complementarity city networks. In contrast, a distinct synergy city network, underpinned by the cities of Suzhou and Dongguan, emerges amidst the expansive complementarity structures in technology hardware and equipment. These findings provide new insights into the relational dynamics and structural configurations of city networks in the context of technology-intensive manufacturing, highlighting the nuanced interplay between synergy and complementarity.

Keywords: city system, complementarity, synergy network, higher-order network

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Authors: Kathie Records, R. Jeanne Ruiz, Kimberly Ayers, Rebecca Pasillas

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Background: Preterm births of less than 37 weeks gestation occur disproportionately to Hispanics living along the U.S.-Mexico border. Prematurity has devastating and costly effects on children, families and the health care system. Few preventive interventions have been tested for this vulnerable group. Objectives: To present the modeling and pilot testing of the theory-based Mastery Lifestyle Intervention (MLI), designed to reduce and prevent PTB among Mexican American women (the terms Hispanics or Latinas will also be used to represent this group) living in the United States. Design and Methods: The conceptualization of the problem of preterm births and the available literature underpinning the mastery lifestyle intervention will be reviewed. The lifestyle intervention includes foundational components of problem solving therapy and acceptance and commitment therapy. Findings from implementation of a one-group pilot test and focus group evaluated the feasibility and acceptability of the MLI. Summary: Participants found the MLI to be feasible and acceptable, and reported perceiving improved health status and familial relationships. Suggestions were provided for modifications prior to efficacy testing. The MLI appears to be a theoretically and empirically grounded intervention that holds promise for preventing preterm births among Latinas.

Keywords: birth, Hispanic, intervention, stress

Procedia PDF Downloads 369

Authors: Minho Kwon, Jeonghee Lim, Yeongseok Jeong, Donghoon Shin, Kiyoung Kim

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Recently, global warming phenomenon has led to natural disasters caused by global environmental changes, and due to abnormal weather events, the frequency and intensity of heavy rain storm typhoons are increasing. Therefore, it is imperative to prepare for future heavy rain storms and typhoons. This study selects arbitrary target bridges and performs numerical analysis to evaluate the safety of bridge piers in the event that the water level changes. The numerical model is based on two-dimensional surface elements. Actual reinforced concrete was simulated by modeling concrete to include reinforcements, and a contact boundary model was applied between the ground and the concrete. The water level applied to the piers was considered at 18 levels between 7.5 m and 16.1 m. The elastic modulus, compressive strength, tensile strength, and yield strength of the reinforced concrete were calculated using 250 random combinations and numerical analysis was carried out for each water level. In the results of analysis, the bridge exceeded the stated limit at 15.0 m. At the maximum water level of 16.1m, the concrete’s failure rate was 35.2%, but the probability that the reinforcement would fail was 61.2%.

Keywords: Monte-Carlo method, pier, water level change, limit state

Procedia PDF Downloads 286

Authors: Aphiradee Wongsiri

Abstract:

The purpose of this study is to investigate the role of social capital in the relationships between community influences consisting of community attachment and community support on civic engagement among the household-header and non-household header volunteers. The data were collected from 216 household header volunteers and 204 non-household header volunteers across rural communities in seven sub-districts in Nong Khai Province, Thailand. A good fit structural equation modeling (SEM) was tested for both groups. The findings indicate that the SEM model for the group of household header volunteers, social capital had a direct effect on civic engagement, while community support had an indirect effect on civic engagement through social capital. On the other hand, the SEM model for the group of non-household header volunteers shows that social capital had a direct effect on civic engagement. Also, community attachment and community support had indirect effects on civic engagement through social capital. Therefore, social capital in this study played an important role as a mediator in the relationships between community influences and civic engagement in both groups.

Keywords: social capital, civic engagement, volunteer, rural development

Procedia PDF Downloads 126

Authors: M. H. Mehrabi, S. S. Ghodsi, Zainah Ibrahim, Meldi Suhatril

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Standard routes for upgrading existing buildings to improve their seismic response can be expensive in terms of both time and cost due to the modifications required to the foundations. As a result, interest has grown in the installation of viscoelastic dampers (VEDs) in mid and high-rise buildings. Details of a low-cost viscoelastic passive control device, the rotary rubber braced damper (RRBD), are presented in this paper. This design has the added benefits of being lightweight and simple to install. Experimental methods and finite element modeling were used to assess the performance of the proposed VED design and its effect on building response during earthquakes. The analyses took into account the behaviors of non-linear materials and large deformations. The results indicate that the proposed RRBD provides high levels of energy absorption, ensuring the stable cyclical response of buildings in all scenarios considered. In addition, time history analysis was employed in this study to evaluate the RRBD’s ability to control the displacements and accelerations experienced by steel frame structures. It was demonstrated that the device responds well even at low displacements, highlighting its suitability for use in seismic events of varying severity.

Keywords: dynamic response, passive control, performance test, seismic protection

Procedia PDF Downloads 170

Authors: Jaleh Shoshtarian Malak, Niloofar Mohamadzadeh

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Managing pre-hospital emergency patients requires real-time practices and efficient resource utilization. Since we are facing a distributed Network of healthcare providers, services and applications choosing the right resources and treatment protocol considering patient situation is a critical task. Delivering care to emergency patients at right time and with the suitable treatment settings can save ones live and prevent further complication. In recent years Multi Agent Systems (MAS) introduced great solutions to deal with real-time, distributed and complicated problems. In this paper we propose a multi agent based pre-hospital emergency management architecture in order to manage coordination, collaboration, treatment protocol and healthcare provider selection between different parties in pre-hospital emergency in a self-organizing manner. We used AnyLogic Agent Based Modeling (ABM) tool in order to simulate our proposed architecture. We have analyzed and described the functionality of EMS center, Ambulance, Consultation Center, EHR Repository and Quality of Care Monitoring as main collaborating agents. Future work includes implementation of the proposed architecture and evaluation of its impact on patient quality of care improvement.

Keywords: multi agent systems, pre-hospital emergency, simulation, software architecture

Procedia PDF Downloads 427

Authors: Sheena Christabel Pravin, M. Palanivelan

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Speech disfluencies are common in spontaneous speech. The primary purpose of this study was to distinguish linguistic disfluencies from stuttering disfluencies in bilingual Tamil–English (TE) speaking children. The secondary purpose was to determine whether their disfluencies are mediated by native language dominance and/or on an early onset of developmental stuttering at childhood. A detailed study was carried out to identify the prosodic and acoustic features that uniquely represent the disfluent regions of speech. This paper focuses on statistical modeling of repetitions, prolongations, pauses and interjections in the speech corpus encompassing bilingual spontaneous utterances from school going children – English and Tamil. Two classifiers including Hidden Markov Models (HMM) and the Multilayer Perceptron (MLP), which is a class of feed-forward artificial neural network, were compared in the classification of disfluencies. The results of the classifiers document the patterns of disfluency in spontaneous speech samples of school-aged children to distinguish between Children Who Stutter (CWS) and Children with Language Impairment CLI). The ability of the models in classifying the disfluencies was measured in terms of F-measure, Recall, and Precision.

Keywords: bi-lingual, children who stutter, children with language impairment, hidden markov models, multi-layer perceptron, linguistic disfluencies, stuttering disfluencies

Procedia PDF Downloads 217