Search results for: impact dynamics

Authors: M. Wendeker, K. Siadkowska, P. Magryta, Z. Czyz, K. Skiba

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In the paper environmental impact analysis the optimal Diesel engine for a light helicopter was performed. The paper consist an answer to the question of what the optimal Diesel engine for a light helicopter is, taking into consideration its expected performance and design capacity. The use of turbocharged engine with self-ignition and an electronic control system can substantially reduce the negative impact on the environment by decreasing toxic substance emission, fuel consumption and therefore carbon dioxide emission. In order to establish the environmental benefits of the diesel engine technologies, mathematical models were created, providing additional insight on the environmental impact and performance of a classic turboshaft and an advanced diesel engine light helicopter, incorporating technology developments.

Keywords: Diesel engine, helicopter, simulation, environmental impact.

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Authors: Lindsay Fink, Sarha Smith-Moyo, Leanne W. Charlesworth

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In recent years, the number of individuals experiencing homelessness has increased in the United States. This paper analyzes 2019 data from 16 different emergency shelters in Monroe County, located in Upstate New York. The data were collected through the County’s Homeless Management Information System (HMIS), and individuals were de-identified and de-duplicated for analysis. The purpose of this study is to explore the basic characteristics of the homeless population in Monroe County, and the dynamics of shelter use. The results of this study showed gender as a significant factor when analyzing the relationship between demographic variables and recorded reasons for shelter entry. Results also indicated that age and ethnicity did not significantly influence odds of re-entering a shelter, but did significantly influence reasons for shelter entry. Overall, the most common recorded cause of shelter entry in 2019 in the examined county was eviction by primary tenant. Recommendations to better address recurrent shelter entry and potential chronic homelessness include more consideration for the diversity existing within the homeless population, and the dynamics leading to shelter stays, including enhanced funding and training for shelter staff, as well as expanded access to permanent supportive housing programs.

Keywords: Chronic homelessness, homeless shelter stays, permanent supportive housing, shelter population dynamics.

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Authors: Christopher Deekia Nwimae, Nigel Simms, Liyun Lao

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Erosion in a pipe bends caused by particles is a major concern in the oil and gas fields and might cause breakdown to production equipment. This work investigates the effect of sand particle transport in an elbow using computational fluid dynamics (CFD) approach. Two-way coupled Euler-Lagrange and discrete phase model is employed to calculate the air/solid particle flow in the elbow. Generic erosion model in Ansys fluent and three particle rebound models are used to predict the erosion rate on the 90° elbows. The model result is compared with experimental data from the open literature validating the CFD-based predictions which reveals that due to the sand particles impinging on the wall of the elbow at high velocity, a point on the pipe elbow were observed to have started turning red due to velocity increase and the maximum erosion locations occur at 48°.

Keywords: Erosion, prediction, elbow, computational fluid dynamics, CFD.

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Authors: Dangjun Zhao, Yongji Wang, Lei Liu

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Based on general proportional integral (GPI) observers and sliding mode control technique, a robust control method is proposed for the master-slave synchronization of chaotic systems in the presence of parameter uncertainty and with partially measurable output signal. By using GPI observer, the master dynamics are reconstructed by the observations from a measurable output under the differential algebraic framework. Driven by the signals provided by GPI observer, a sliding mode control technique is used for the tracking control and synchronization of the master-slave dynamics. The convincing numerical results reveal the proposed method is effective, and successfully accommodate the system uncertainties, disturbances, and noisy corruptions.

Keywords: GPI observer, sliding mode control, master-slave synchronization, chaotic systems.

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Authors: Esam Jassim

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Supersonic nozzles are commonly used to purify natural gas in gas processing technology. As an innovated technology, it is employed to overcome the deficit of the traditional method, related to gas dynamics, thermodynamics and fluid dynamics theory. An indoor test rig is built to study the dehumidification process of moisture fluid. Humid air was chosen for the study. The working fluid was circulating in an open loop, which had provision for filtering, metering, and humidifying. A stainless steel supersonic separator is constructed together with the C-D nozzle system. The result shows that dehumidification enhances as NPR increases. This is due to the high intensity in the turbulence caused by the shock formation in the divergent section. Such disturbance strengthens the centrifugal force, pushing more particles toward the near-wall region. In return return, the pressure recovery factor, defined as the ratio of the outlet static pressure of the fluid to its inlet value, decreases with NPR.

Keywords: Supersonic nozzle, dehumidification, particle separation, geometry.

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Authors: Manop Aorpimai, Ponthep Navakitkanok

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In this paper, the development of the ephemeris generation module used for the Thaichote satellite operations is presented. It is a vital part of the flight dynamics system, which comprises, the orbit determination, orbit propagation, event prediction and station-keeping maneouvre modules. In the generation of the spacecraft ephemeris data, the estimated orbital state vector from the orbit determination module is used as an initial condition. The equations of motion are then integrated forward in time to predict the satellite states. The higher geopotential harmonics, as well as other disturbing forces, are taken into account to resemble the environment in low-earth orbit. Using a highly accurate numerical integrator based on the Burlish-Stoer algorithm the ephemeris data can be generated for long-term predictions, by using a relatively small computation burden and short calculation time. Some events occurring during the prediction course that are related to the mission operations, such as the satellite’s rise/set viewed from the ground station, Earth and Moon eclipses, the drift in groundtrack as well as the drift in the local solar time of the orbital plane are all detected and reported. When combined with other modules to form a flight dynamics system, this application is aimed to be applied for the Thaichote satellite and successive Thailand’s Earth-observation missions. 

Keywords: Flight Dynamics System, Orbit Propagation, Satellite Ephemeris, Thailand’s Earth Observation Satellite.

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Authors: T. M. Ismail, M. Abd El-Salam

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A mathematical model study was carried out to investigate gasification of biomass fuels using high temperature air and steam as a gasifying agent using high-temperature air up to 1000°C. In this study, a 2D computational fluid dynamics model was developed to study the gasification process in an updraft gasifier, considering drying, pyrolysis, combustion, and gasification reactions. The gas and solid phases were resolved using a Euler−Euler multiphase approach, with exchange terms for the momentum, mass, and energy. The standard k−ε turbulence model was used in the gas phase, and the particle phase was modeled using the kinetic theory of granular flow. The results show that the present model giving a promise way in its capability and sensitivity for the parameter affects that influence the gasification process.

Keywords: Computational fluid dynamics, gasification, biomass fuel, fixed bed gasifier

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Authors: Vladimir K. Mukhomorov

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Within the framework of a method of the information theory it is offered statistics and probabilistic model for definition of cause-and-effect relations in the coupled multicomponent subsystems. The quantitative parameter which is defined through conditional and unconditional entropy functions is introduced. The method is applied to the analysis of the experimental data on dynamics of change of the chemical elements composition of plants organs (roots, reproductive organs, leafs and stems). Experiment is directed on studying of temporal processes of primary soil formation and their connection with redistribution dynamics of chemical elements in plant organs. This statistics and probabilistic model allows also quantitatively and unambiguously to specify the directions of the information streams on plant organs.

Keywords: Chemical elements, entropy function, information, plants.

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Authors: S.Pancucci

Abstract:

The purpose of this paper is to describe the process of setting up a learning community within an elementary school in Ontario, Canada. The description is provided through reflection and examination of field notes taken during the yearlong training and implementation process. Specifically the impact of teachers- capacity on the creation of a learning community was of interest. This paper is intended to inform and add to the debate around the tensions that exist in implementing a bottom-up professional development model like the learning community in a top-down organizational structure. My reflections of the process illustrate that implementation of the learning community professional development model may be difficult and yet transformative in the professional lives of the teachers, students, and administration involved in the change process. I conclude by suggesting the need for a new model of professional development that requires a transformative shift in power dynamics and a shift in the view of what constitutes effective professional learning.

Keywords: Learning community model, professionaldevelopment, teacher capacity, teacher leadership.

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Authors: Iman Badr

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The concept of flexible manufacturing is highly appealing in gaining a competitive edge in the market by quickly adapting to the changing customer needs. Scheduling jobs on flexible manufacturing systems (FMSs) is a challenging task of managing the available flexibility on the shop floor to react to the dynamics of the environment in real-time. In this paper, an agent-oriented scheduling framework that can be integrated with a real or a simulated FMS is proposed. This framework works in stochastic environments with a dynamic model of job arrival. It supports a hierarchical cooperative scheduling that builds on the available flexibility of the shop floor. Testing the framework on a model of a real FMS showed the capability of the proposed approach to overcome the drawbacks of the conventional approaches and maintain a near optimal solution despite the dynamics of the operational environment.

Keywords: Autonomous agents, Flexible manufacturing systems(FMS), Manufacturing scheduling, Real-time systems.

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Authors: Cherdvong Saengsupavanich

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The impact of a proposed pier on tidal current alteration was evaluated. The proposed pier location was in Salad Bay on Koa Kood Island, Trat province, Thailand, and was designed to accommodate passenger ships with a draft of less than 2 m. The study began with collecting necessary data, including bathymetric, water elevation and tidal current characteristics. The impact was assessed using a software package (MIKE21). Although the results showed that the pier would affect the existing current pattern, the change was determined to be insignificant, as the design of the piles for the pier provided sufficient spacing to let the current flow as freely as possible. Consequences of the altered current, such as seabed erosion, water stagnation, sediment deposition and navigational risk were assessed. Environmental mitigation measures might be necessary if the impacts were considered unacceptable.

Keywords: Environmental impact assessment, pier, tidal currentchange, coastal engineering and management

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Authors: Daniele Contini, Antonio Donateo, Andrea Gambaro, Athanasios Argiriou, Dimitrios Melas, Daniela Cesari, Anastasia Poupkou, Athanasios Karagiannidis, Apostolos Tsakis, Eva Merico, Rita Cesari, Adelaide Dinoi

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Emissions of atmospheric pollutants from ships and harbour activities are a growing concern at international level given their potential impacts on air quality and climate. These close-to-land emissions have potential impact on local communities in terms of air quality and health. Recent studies show that the impact of maritime traffic to atmospheric particulate matter concentrations in several coastal urban areas is comparable with the impact of road traffic of a medium size town. However, several different approaches have been used for these estimates making difficult a direct comparison of results. In this work, an integrated approach based on emission inventories and dedicated measurement campaigns has been applied to give a comparable estimate of the impact of maritime traffic to PM2.5 and particle number concentrations in three major harbours of the Adriatic/Ionian Seas. The influences of local meteorology and of the logistic layout of the harbours are discussed.

Keywords: Ship emissions, PM2.5, particle number concentrations, impact of shipping to atmospheric aerosol.

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Authors: Anwar Kashgari

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COVID-19 has severe impacts on business all over the world. The great lockdown of many business owners requires a sage deal with this pandemic. This paper seeks to support business leaders with a standpoint about the COVID-19 situation and provides implications for the SMEs (Small and Medium Enterprises) and companies. The paper reflects the author's view about the impact of COVID-19 on business activities. We discussed the impact of COVID-19 upon three aspects, namely, startups, SMEs, and e-commerce. The KSA is taken as an example of the developing countries about which we present the current situation. Finally, recommendations to policy and decision-makers are given.

Keywords: COVID-19, business networking, globalization, Saudi Arabia.

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Authors: Pa Pa Lin

Abstract:

This research work is concerned with the eigenvalue problem for the integral operators which are obtained by linearization of a nonlocal evolution equation. The purpose of section II.A is to describe the nature of the problem and the objective of the project. The problem is related to the “stable solution" of the evolution equation which is the so-called “instanton" that describe the interface between two stable phases. The analysis of the instanton and its asymptotic behavior are described in section II.C by imposing the Green function and making use of a probability kernel. As a result , a classical Theorem which is important for an instanton is proved. Section III devoted to a study of the integral operators related to interface dynamics which concern the analysis of the Cauchy problem for the evolution equation with initial data close to different phases and different regions of space.

Keywords: Evolution, Green function, instanton, integral operators.

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Authors: E. Vári, K. Máriás

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The research focused on the effects of previous cropping and fertilizers on the LAI, rhythm of the dry matter, leaf disease intensity and amount of yield. Long term field experiments’ results proved that the previous crop fundamentally determines size, rate and dynamics of the dry matter formation in the spring time vegetation period. The LAI index and crop results of winter wheat can be influenced mainly by raising the fertilizer amount. N fertilization has an outstanding role in the changes in leaf area index (LAI), weight of dry matter and yield of winter wheat. According to our results, the interaction effect of leaf area index, weight of dry matter and fertilization resulted in the maximum yield in biculture and triculture.

Keywords: Crop rotation, Leaf Area Index, leaf disease of winter wheat.

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Authors: J. C. Moctezuma, V. Breña-Medina, Jose Luis Nunez-Yanez, Joseph P. McGeehan

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In this work we make a bifurcation analysis for a single compartment representation of Traub model, one of the most important conductance-based models. The analysis focus in two principal parameters: current and leakage conductance. Study of stable and unstable solutions are explored; also Hop-bifurcation and frequency interpretation when current varies is examined. This study allows having control of neuron dynamics and neuron response when these parameters change. Analysis like this is particularly important for several applications such as: tuning parameters in learning process, neuron excitability tests, measure bursting properties of the neuron, etc. Finally, a hardware implementation results were developed to corroborate these results.

Keywords: Traub model, Pinsky-Rinzel model, Hopf bifurcation, single-compartment models, Bifurcation analysis, neuron modeling.

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Authors: Nam-Seok Kim, Sang-Kyu Lee, Byung-Soo Shin, O-Hyun Keum

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The present paper represents a methodology for investigating flow characteristics near orifice plate by using a commercial computational fluid dynamics code. The flow characteristics near orifice plate which is located in the auxiliary feedwater system were modeled via three different levels of grid and four different types of Reynolds Averaged Navier-Stokes (RANS) equations with proper near-wall treatment. The results from CFD code were compared with experimental data in terms of differential pressure through the orifice plate. In this preliminary study, the Realizable k-ε and the Reynolds stress models with enhanced wall treatment were suitable to analyze flow characteristics near orifice plate, and the results had a good agreement with experimental data.

Keywords: Auxiliary Feedwater, Computational Fluid Dynamics, Orifice, Nuclear Power Plant

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Authors: Prakash Persad, Kelvin Loutan, Jr., Trichelle Seepersad

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The Finite Element Method is commonly used in the analysis of flexible manipulators to predict elastic displacements and develop joint control schemes for reducing positioning error. In order to preserve simplicity, regular geometries, ideal joints and connections are assumed. This paper presents the dynamic FE analysis of a 4- degrees of freedom open chain manipulator, intended for striking a curved 3D surface percussion musical instrument. This was done utilizing the new MultiBody Dynamics Module in COMSOL, capable of modeling the elastic behavior of a body undergoing rigid body type motion.

Keywords: Dynamic modeling, Entertainment robots, Finite element method, Flexible robot manipulators, Multibody dynamics, Musical robots.

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Authors: Sahba Sadir, M. R. A. Kadir, A. Öchsner, M. N. Harun

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Scaffolds play a key role in tissue engineering and can be produced in many different ways depending on the applications and the materials used. Most researchers used an experimental trialand- error approach into new biomaterials but computer simulation applied to tissue engineering can offer a more exhaustive approach to test and screen out biomaterials. This paper develops the model of scaffolds and Computational Fluid Dynamics that show the value of computer simulations in determining the influence of the geometrical scaffold parameter porosity, pore size and shape on the permeability of scaffolds, magnitude of velocity, drop pressure, shear stress distribution and level and the proper design of the geometry of the scaffold. This creates a need for more advanced studies that include aspects of dynamic conditions of a micro fluid passing through the scaffold were characterized for tissue engineering applications and differentiation of tissues within scaffolds.

Keywords: Scaffold engineering, Tissue engineering, Cellularstructure, Biomaterial, Computational fluid dynamics.

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Authors: Lanka Dinushke Weerasiri, Subrat Das, Daniel Fabijanic, William Yang

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Fluidization at vacuum pressure has been a topic that is of growing research interest. Several industrial applications (such as drying, extractive metallurgy, and chemical vapor deposition (CVD)) can potentially take advantage of vacuum pressure fluidization. Particularly, the fine chemical industry requires processing under safe conditions for thermolabile substances, and reduced pressure fluidized beds offer an alternative. Fluidized beds under vacuum conditions provide optimal conditions for treatment of granular materials where the reduced gas pressure maintains an operational environment outside of flammability conditions. The fluidization at low-pressure is markedly different from the usual gas flow patterns of atmospheric fluidization. The different flow regimes can be characterized by the dimensionless Knudsen number. Nevertheless, hydrodynamics of bubbling vacuum fluidized beds has not been investigated to author’s best knowledge. In this work, the two-fluid numerical method was used to determine the impact of reduced pressure on the fundamental properties of a fluidized bed. The slip flow model implemented by Ansys Fluent User Defined Functions (UDF) was used to determine the interphase momentum exchange coefficient. A wide range of operating pressures was investigated (1.01, 0.5, 0.25, 0.1 and 0.03 Bar). The gas was supplied by a uniform inlet at 1.5U_mf and 2U_mf. The predicted minimum fluidization velocity (U_mf) shows excellent agreement with the experimental data. The results show that the operating pressure has a notable impact on the bed properties and its hydrodynamics. Furthermore, it also shows that the existing Gorosko correlation that predicts bed expansion is not applicable under reduced pressure conditions.

Keywords: Computational fluid dynamics, fluidized bed, gas-solid flow, vacuum pressure, slip flow, minimum fluidization velocity.

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Authors: Wilaiwan Sornpoon, Sébastien Bonnet, Savitri Garivait

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Open burning of sugarcane fields is recognized to have a negative impact on soil by degrading its properties, especially soil organic carbon (SOC) content. Better understating the effect of open burning on soil carbon dynamics is crucial for documenting the carbon sequestration capacity of agricultural soils. In this study, experiments to investigate soil carbon stocks under burned and unburned sugarcane plantation systems in Thailand were conducted. The results showed that cultivation fields without open burning during 5 consecutive years enabled to increase the SOC content at a rate of 1.37 Mg ha^-1y^-1. Also it was found that sugarcane fields burning led to about 15% reduction of the total carbon stock in the 0-30 cm soil layer. The overall increase in SOC under unburned practice is mainly due to the large input of organic material through the use of sugarcane residues. 

Keywords: Soil organic carbon, Soil inorganic carbon, Carbon sequestration, Open burning, Sugarcane.

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Authors: Amrita Tripathi, Neeru Adlakha

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Calcium [Ca2+] dynamics is studied as a potential form of neuron excitability that can control many irregular processes like metabolism, secretion etc. Ca2+ ion enters presynaptic terminal and increases the synaptic strength and thus triggers the neurotransmitter release. The modeling and analysis of calcium dynamics in neuron cell becomes necessary for deeper understanding of the processes involved. A mathematical model has been developed for cylindrical shaped neuron cell by incorporating physiological parameters like buffer, diffusion coefficient, and association rate. Appropriate initial and boundary conditions have been framed. The closed form solution has been developed in terms of modified Bessel function. A computer program has been developed in MATLAB 7.11 for the whole approach.

Keywords: Laplace Transform, Modified Bessel function, reaction diffusion equation, diffusion coefficient, excess buffer, calcium influx

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Authors: Po-Wen Chen, Jin-Yu Wu, Md. Manirul Ali, Yang Peng, Chen-Te Chang, Der-Jun Jan

Abstract:

Dynamics of cathode spot has become a major part of vacuum arc discharge with its high academic interest and wide application potential. In this article, using a three-dimensional statistical model, we simulate the distribution of the ignition probability of a new cathode spot occurring in different magnetic pressure on old cathode spot surface and at different arcing time. This model for the ignition probability of a new cathode spot was proposed in two typical situations, one by the pure isotropic random walk in the absence of an external magnetic field, other by the retrograde motion in external magnetic field, in parallel with the cathode surface. We mainly focus on developed relationship between the ignition probability density distribution of a new cathode spot and the external magnetic field.

Keywords: Cathode spot, vacuum arc discharge, transverse magnetic field, random walk.

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Authors: Keyvan Shahgholian, Hamid Hajihosseini

Abstract:

The significance of environmental protection is wellknown in today's world. The execution of any program depends on sufficient knowledge and required familiarity with environment and its pollutants. Taking advantage of a systematic method, as a new science, in environmental planning can solve many problems. In this article, air pollution in Tehran and its relationship with health and population growth have been analyzed using dynamic systems. Firstly, by using casual loops, the relationship between the parameters effective on air pollution in Tehran were taken into consideration, then these casual loops were turned into flow diagrams [6], and finally, they were simulated using the software Vensim [16]in order to conclude what the effect of each parameter will be on air pollution in Tehran in the next 10 years, how changing of one or more parameters influences other parameters, and which parameter among all other parameters requires to be controlled more.

Keywords: Air pollutions, Simulation, System Dynamics, Tehran, Vensim.

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Authors: Raied Salman, Nazar Younis

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In a none-super-competitive environment the concepts of closed system, management control remains to be the dominant guiding concept to management. The merits of closed loop have been the sources of most of the management literature and culture for many decades. It is a useful exercise to investigate and poke into the dynamics of the control loop phenomenon and draws some lessons to use for refining the practice of management. This paper examines the multitude of lessons abstracted from the behavior of the Input /output /feedback control loop model, which is the core of control theory. There are numerous lessons that can be learned from the insights this model would provide and how it parallels the management dynamics of the organization. It is assumed that an organization is basically a living system that interacts with the internal and external variables. A viable control loop is the one that reacts to the variation in the environment and provide or exert a corrective action. In managing organizations this is reflected in organizational structure and management control practices. This paper will report findings that were a result of examining several abstract scenarios that are exhibited in the design, operation, and dynamics of the control loop and how they are projected on the functioning of the organization. Valuable lessons are drawn in trying to find parallels and new paradigms, and how the control theory science is reflected in the design of the organizational structure and management practices. The paper is structured in a logical and perceptive format. Further research is needed to extend these findings.

Keywords: Management theory, control theory, feed back, input/output, strategy, change, information technology, informationsystems, IS, organizational environment, organizations, opensystems, closed systems.

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Authors: El Harbi Sana, Ben Afia Neila

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In this paper, we study the relationship between the military effort and pollution. A distinction is drawn between the direct and indirect impact of the military effort (military expenditure and military personnel) on pollution, which operates through the impact of military effort on per capita income and the resultant impact of income on pollution. Using the data of 121 countries covering the period 1980–2011, both the direct and indirect impacts of military effort on air pollution emissions are estimated. Our results show that the military effort is estimated to have a positive direct impact on per capita emissions. Indirect effects are found to be positive, the total effect of military effort on emissions is positive for all countries.

Keywords: Military expenditure, military personnel, income, emissions of CO2 and panel data.

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Authors: Niloufar Ghoreishi, Ali Nekouzadeh

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The stability of the flight during maneuvering and in response to probable perturbations is one of the most essential features of an aircraft that should be analyzed and designed for. In this study, we derived the non-linear governing equations of aircraft dynamics during the climb/descend phase and simulated a model aircraft. The corresponding force and moment dimensionless coefficients of the model and their variations with elevator angle and other relevant aerodynamic parameters were measured experimentally. The short-period mode and phugoid mode response were simulated by solving the governing equations numerically and then compared with the desired stability parameters for the particular level, category, and class of the aircraft model. To meet the target stability, a controller was designed and used. This resulted in significant improvement in the stability parameters of the flight.

Keywords: Flight stability, phugoid mode, short period mode, climb phase, damping coefficient.

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Authors: Bei Li, Qiu B. Chen, Chee H. Wong

Abstract:

In this work, we incorporated a quartic bond potential into a coarse-grained bead-spring model to study lubricant adsorption on a solid surface as well as depletion instability. The surface tension density and the number density profiles were examined to verify the solid-liquid and liquid-vapor interfaces during heat treatment. It was found that both the liquid-vapor interfacial thickness and the solid-vapor separation increase with the temperatureT* when T*is below the phase transition temperature Tc *. At high temperatures (T*>Tc *), the solid-vapor separation decreases gradually as the temperature increases. In addition, we evaluated the lubricant weight and bond loss profiles at different temperatures. It was observed that the lubricant desorption is favored over decomposition and is the main cause of the lubricant failure at the head disk interface in our simulations.

Keywords: Depletion instability, Lubricant film, Thermal adsorption, Molecular dynamics (MD).

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Authors: M. Sedighizadeh, A. Rezazadeh

Abstract:

Due to the increasing penetration of wind energy, it is necessary to possess design tools that are able to simulate the impact of these installations in utility grids. In order to provide a net contribution to this issue a detailed wind park model has been developed and is briefly presented. However, the computational costs associated with the performance of such a detailed model in describing the behavior of a wind park composed by a considerable number of units may render its practical application very difficult. To overcome this problem integral manifolds theory has been applied to reduce the order of the detailed wind park model, and therefore create the conditions for the development of a dynamic equivalent which is able to retain the relevant dynamics with respect to the existing a.c. system. In this paper integral manifold method has been introduced for order reduction. Simulation results of the proposed method represents that integral manifold method results fit the detailed model results with a higher precision than singular perturbation method.

Keywords: Wind, Reduced Order, Integral Manifold.

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Authors: M. Dehestani, M. Ghasemi-Kooch

Abstract:

In this work, adsorption of chlorophylls a and b pigments in aqueous solution on the inner and outer surfaces of single-walled carbon nanotube (SWCNT) has been studied using molecular dynamics simulation. The linear interaction energy algorithm has been used to calculate the binding free energy. The results show that the adsorption of two pigments is fine on the both positions. Although there is the close similarity between these two pigments, their interaction with the nanotube is different. This result is useful to separate these pigments from one another. According to interaction energy between the pigments and carbon nanotube, interaction between these pigments-SWCNT on the inner surface is stronger than the outer surface. The interaction of SWCNT with chlorophylls phytol tail is stronger than the interaction of SWCNT with porphyrin ring of chlorophylls.

Keywords: Dynamic simulation, single walled carbon nanotube, chlorophyll, adsorption.

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