Search results for: Dynamics
817 Payment Problems, Cash Flow and Profitability of Construction Project: A System Dynamics Model
Authors: Wenhua Hou, Xing Liu, Deqiang Chen
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The ubiquitous payment problems within construction industry of China are notoriously hard to be resolved, thus lead to a series of impacts to the industry chain. Among of them, the most direct result is affecting the normal operation of contractors negatively. A wealth of research has already discussed reasons of the payment problems by introducing a number of possible improvement strategies. But the causalities of these problems are still far from harsh reality. In this paper, the authors propose a model for cash flow system of construction projects by introducing System Dynamics techniques to explore causal facets of the payment problem. The effects of payment arrears on both cash flow and profitability of project are simulated into four scenarios by using data from real projects. Simulating results show visible clues to help contractors quantitatively determining the consequences for the construction project that arise from payment delay.Keywords: payment problems, cash flow, profitability, system dynamics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2744816 An Integrated Operational Research and System Dynamics Approach for Planning Decisions in Container Terminals
Authors: A. K. Abdel-Fattah, A. B. El-Tawil, N. A. Harraz
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This paper focuses on the operational and strategic planning decisions related to the quayside of container terminals. We introduce an integrated operational research (OR) and system dynamics (SD) approach to solve the Berth Allocation Problem (BAP) and the Quay Crane Assignment Problem (QCAP). A BAP-QCAP optimization modeling approach which considers practical aspects not studied before in the integration of BAP and QCAP is discussed. A conceptual SD model is developed to determine the long-term effect of optimization on the system behavior factors like resource utilization, attractiveness to port, number of incoming vessels to port and port profits. The framework can be used for improving the operational efficiency of container terminals and providing a strategic view after applying optimization.
Keywords: Operational research, system dynamics, container terminal, quayside operational problems, strategic planning decisions.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3325815 A Transfer Function Representation of Thermo-Acoustic Dynamics for Combustors
Authors: Myunggon Yoon, Jung-Ho Moon
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In this paper, we present a transfer function representation of a general one-dimensional combustor. The input of the transfer function is a heat rate perturbation of a burner and the output is a flow velocity perturbation at the burner. This paper considers a general combustor model composed of multiple cans with different cross sectional areas, along with a non-zero flow rate.Keywords: Thermoacoustics, dynamics, combustor, transfer function.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1350814 Technology Diffusion and Inclusive Development in Africa: A System Dynamics Perspective
Authors: M. Kaggwa
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Technology or lack of it will play an important role in Africa-s effort to achieve inclusive development. Although a key determinant of competitiveness, new technology can exacerbate exclusion of the majority from the mainstream economic activities. To minimise potential technology exclusion while leveraging its critical role in African-s development, requires insight into technology diffusion process. Using system dynamics approach, a technology diffusion model is presented. The frequency of interaction of people exposed to and those not exposed to technology, and the technology adoption rate - the fraction of people who embrace new technologies once they are exposed, are identified as the broad factors critical to technology diffusion to wider society enabling more people to be part of the economic growth process. Based on simulation results, it is recommends that these two broad factors should form part of national policy aimed at achieving inclusive and sustainable development in Africa.
Keywords: Inclusive Development, System Dynamics, Technology, Technology diffusion.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1741813 Biaxial Buckling of Single Layer Graphene Sheet Based on Nonlocal Plate Model and Molecular Dynamics Simulation
Authors: R. Pilafkan, M. Kaffash Irzarahimi, S. F. Asbaghian Namin
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The biaxial buckling behavior of single-layered graphene sheets (SLGSs) is studied in the present work. To consider the size-effects in the analysis, Eringen’s nonlocal elasticity equations are incorporated into classical plate theory (CLPT). A Generalized Differential Quadrature Method (GDQM) approach is utilized and numerical solutions for the critical buckling loads are obtained. Then, molecular dynamics (MD) simulations are performed for a series of zigzag SLGSs with different side-lengths and with various boundary conditions, the results of which are matched with those obtained by the nonlocal plate model to numerical the appropriate values of nonlocal parameter relevant to each type of boundary conditions.
Keywords: Biaxial buckling, single-layered graphene sheets, nonlocal elasticity, molecular dynamics simulation, classical plate theory.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1106812 Molecular Dynamics Simulation of Annular Flow Boiling in a Microchannel with 70000 Atoms
Authors: D.Toghraie, A.R.Azimian
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Molecular dynamics simulation of annular flow boiling in a nanochannel with 70000 particles is numerically investigated. In this research, an annular flow model is developed to predict the superheated flow boiling heat transfer characteristics in a nanochannel. To characterize the forced annular boiling flow in a nanochannel, an external driving force F ext ranging from 1to12PN (PN= Pico Newton) is applied along the flow direction to inlet fluid particles during the simulation. Based on an annular flow model analysis, it is found that saturation condition and superheat degree have great influences on the liquid-vapor interface. Also, the results show that due to the relatively strong influence of surface tension in small channel, the interface between the liquid film and vapor core is fairly smooth, and the mean velocity along the stream-wise direction does not change anymore.Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD), Annular Flow Boiling
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2186811 Real-Time Image Encryption Using a 3D Discrete Dual Chaotic Cipher
Authors: M. F. Haroun, T. A. Gulliver
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In this paper, an encryption algorithm is proposed for real-time image encryption. The scheme employs a dual chaotic generator based on a three dimensional (3D) discrete Lorenz attractor. Encryption is achieved using non-autonomous modulation where the data is injected into the dynamics of the master chaotic generator. The second generator is used to permute the dynamics of the master generator using the same approach. Since the data stream can be regarded as a random source, the resulting permutations of the generator dynamics greatly increase the security of the transmitted signal. In addition, a technique is proposed to mitigate the error propagation due to the finite precision arithmetic of digital hardware. In particular, truncation and rounding errors are eliminated by employing an integer representation of the data which can easily be implemented. The simple hardware architecture of the algorithm makes it suitable for secure real-time applications.Keywords: Chaotic systems, image encryption, 3D Lorenz attractor, non-autonomous modulation, FPGA.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1217810 How Social Network Structure Affects the Dynamics of Evolution of Cooperation?
Authors: Mohammad Akbarpour, Reza Nasiri Mahalati, Caro Lucas
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The existence of many biological systems, especially human societies, is based on cooperative behavior [1, 2]. If natural selection favors selfish individuals, then what mechanism is at work that we see so many cooperative behaviors? One answer is the effect of network structure. On a graph, cooperators can evolve by forming network bunches [2, 3, 4]. In a research, Ohtsuki et al used the idea of iterated prisoners- dilemma on a graph to model an evolutionary game. They showed that the average number of neighbors plays an important role in determining whether cooperation is the ESS of the system or not [3]. In this paper, we are going to study the dynamics of evolution of cooperation in a social network. We show that during evolution, the ratio of cooperators among individuals with fewer neighbors to cooperators among other individuals is greater than unity. The extent to which the fitness function depends on the payoff of the game determines this ratio.Keywords: Evolution of cooperation, Iterated prisoner's dilemma, Model dynamics, Social network structure, Intensity of selection.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1358809 The Dynamics of Oil Bodies in A. thaliana Seeds: A Mathematical Model of Biogenesis and Coalescence
Authors: G. Trigui, B. Laroche, M. Miquel, B. Dubreucq, A. Trubuil
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The subcellular organelles called oil bodies (OBs) are lipid-filled quasi-spherical droplets produced from the endoplasmic reticulum (ER) and then released into the cytoplasm during seed development. It is believed that an OB grows by coalescence with other OBs and that its stability depends on the composition of oleosins, major proteins inserted in the hemi membrane that covers OBs. In this study, we measured the OB-volume distribution from different genotypes of A. thaliana after 7, 8, 9, 10 and 11 days of seed development. In order to test the hypothesis of OBs dynamics, we developed a simple mathematical model using non-linear differential equations inspired from the theory of coagulation. The model describes the evolution of OB-volume distribution during the first steps of seed development by taking into consideration the production of OBs, the increase of triacylglycerol volume to be stored, and the growth by coalescence of OBs. Fitted parameters values show an increase in the OB production and coalescence rates in A. thaliana oleosin mutants compared to wild type.
Keywords: Biogenesis, coalescence, oil body, oleosin, population dynamics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1753808 Dynamics In Production Processes
Authors: Marco Kennemann, Steffen C. Eickemeyer, Peter Nyhuis
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An increasingly dynamic and complex environment poses huge challenges to production enterprises, especially with regards to logistics. The Logistic Operating Curve Theory, developed at the Institute of Production Systems and Logistics (IFA) of the Leibniz University of Hanover, is a recognized approach to describing logistic interactions, nevertheless, it reaches its limits when it comes to the dynamic aspects. In order to facilitate a timely and optimal Logistic Positioning a method is developed for quickly and reliably identifying dynamic processing states.
Keywords: Dynamics, Logistic Operating Curves, Production Logistics, Production Planning and Control
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1508807 Complex Dynamics of Bertrand Duopoly Games with Bounded Rationality
Authors: Jixiang Zhang, Guocheng Wang
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A dynamic of Bertrand duopoly game is analyzed, where players use different production methods and choose their prices with bounded rationality. The equilibriums of the corresponding discrete dynamical systems are investigated. The stability conditions of Nash equilibrium under a local adjustment process are studied. The stability conditions of Nash equilibrium under a local adjustment process are studied. The stability of Nash equilibrium, as some parameters of the model are varied, gives rise to complex dynamics such as cycles of higher order and chaos. On this basis, we discover that an increase of adjustment speed of bounded rational player can make Bertrand market sink into the chaotic state. Finally, the complex dynamics, bifurcations and chaos are displayed by numerical simulation.
Keywords: Bertrand duopoly model, Discrete dynamical system, Heterogeneous expectations, Nash equilibrium.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2601806 Molecular Dynamics Simulation of Liquid-Vapor Interface on the Solid Surface Using the GEAR-S Algorithm
Authors: D. Toghraie, A. R. Azimian
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In this paper, the Lennard -Jones potential is applied to molecules of liquid argon as well as its vapor and platinum as solid surface in order to perform a non-equilibrium molecular dynamics simulation to study the microscopic aspects of liquid-vapor-solid interactions. The channel is periodic in x and y directions and along z direction it is bounded by atomic walls. It was found that density of the liquids near the solid walls fluctuated greatly and that the structure was more like a solid than a liquid. This indicates that the interactions of solid and liquid molecules are very strong. The resultant surface tension, liquid density and vapor density are found to be well predicted when compared with the experimental data for argon. Liquid and vapor densities were found to depend on the cutoff radius which induces the use of P3M (particle-particle particle-mesh) method which was implemented for evaluation of force and surface tension.Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD).
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2016805 More Realistic Model for Simulating Min Protein Dynamics: Lattice Boltzmann Method Incorporating the Role of Nucleoids
Authors: J.Yojina, W. Ngamsaad, N. Nuttavut, D.Triampo, Y. Lenbury, W. Triampo, P. Kanthang, S.Sriyab
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The dynamics of Min proteins plays a center role in accurate cell division. Although the nucleoids may presumably play an important role in prokaryotic cell division, there is a lack of models to account for its participation. In this work, we apply the lattice Boltzmann method to investigate protein oscillation based on a mesoscopic model that takes into account the nucleoid-s role. We found that our numerical results are in reasonably good agreement with the previous experimental results On comparing with the other computational models without the presence of nucleoids, the highlight of our finding is that the local densities of MinD and MinE on the cytoplasmic membrane increases, especially along the cell width, when the size of the obstacle increases, leading to a more distinct cap-like structure at the poles. This feature indicated the realistic pattern and reflected the combination of Min protein dynamics and nucleoid-s role.Keywords: lattice Boltzmann method, cell division, Minproteins oscillation, nucleoid
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1247804 Secret Communications Using Synchronized Sixth-Order Chuas's Circuits
Authors: López-Gutiérrez R.M., Rodríguez-Orozco E., Cruz-Hernández C., Inzunza-González E., Posadas-Castillo C., García-Guerrero E.E., Cardoza-Avendaño L.
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In this paper, we use Generalized Hamiltonian systems approach to synchronize a modified sixth-order Chua's circuit, which generates hyperchaotic dynamics. Synchronization is obtained between the master and slave dynamics with the slave being given by an observer. We apply this approach to transmit private information (analog and binary), while the encoding remains potentially secure.
Keywords: Hyperchaos synchronization, sixth-order Chua's circuit, observers, simulation, secure communication.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1498803 Richtmyer-Meshkov Instability and Gas-Particle Interaction of Contoured Shock-Tube Flows: A Numerical Study
Authors: Yi Liu
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In this paper, computational fluid dynamics (CFD) is utilized to characterize a prototype biolistic delivery system, the biomedical device based on the contoured-shock-tube design (CST), with the aim at investigating shocks induced flow instabilities within the contoured shock tube. The shock/interface interactions, the growth of perturbation at an interface between two fluids of different density are interrogated. The key features of the gas dynamics and gas-particle interaction are discussed
Keywords: Simulation, Shock wave, Particle, Interface, Supersonic, Richtmyer-Meshkov Instability
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1765802 Chaotic Properties of Hemodynamic Responsein Functional Near Infrared Spectroscopic Measurement of Brain Activity
Authors: Ni Ni Soe , Masahiro Nakagawa
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Functional near infrared spectroscopy (fNIRS) is a practical non-invasive optical technique to detect characteristic of hemoglobin density dynamics response during functional activation of the cerebral cortex. In this paper, fNIRS measurements were made in the area of motor cortex from C4 position according to international 10-20 system. Three subjects, aged 23 - 30 years, were participated in the experiment. The aim of this paper was to evaluate the effects of different motor activation tasks of the hemoglobin density dynamics of fNIRS signal. The chaotic concept based on deterministic dynamics is an important feature in biological signal analysis. This paper employs the chaotic properties which is a novel method of nonlinear analysis, to analyze and to quantify the chaotic property in the time series of the hemoglobin dynamics of the various motor imagery tasks of fNIRS signal. Usually, hemoglobin density in the human brain cortex is found to change slowly in time. An inevitable noise caused by various factors is to be included in a signal. So, principle component analysis method (PCA) is utilized to remove high frequency component. The phase pace is reconstructed and evaluated the Lyapunov spectrum, and Lyapunov dimensions. From the experimental results, it can be conclude that the signals measured by fNIRS are chaotic.Keywords: Chaos, hemoglobin, Lyapunov spectrum, motorimagery, near infrared spectroscopy (NIRS), principal componentanalysis (PCA).
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1728801 Performance Prediction of a 5MW Wind Turbine Blade Considering Aeroelastic Effect
Authors: Dong-Hyun Kim, Yoo-Han Kim
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In this study, aeroelastic response and performance analyses have been conducted for a 5MW-Class composite wind turbine blade model. Advanced coupled numerical method based on computational fluid dynamics (CFD) and computational flexible multi-body dynamics (CFMBD) has been developed in order to investigate aeroelastic responses and performance characteristics of the rotating composite blade. Reynolds-Averaged Navier-Stokes (RANS) equations with k-ω SST turbulence model were solved for unsteady flow problems on the rotating turbine blade model. Also, structural analyses considering rotating effect have been conducted using the general nonlinear finite element method. A fully implicit time marching scheme based on the Newmark direct integration method is applied to solve the coupled aeroelastic governing equations of the 3D turbine blade for fluid-structure interaction (FSI) problems. Detailed dynamic responses and instantaneous velocity contour on the blade surfaces which considering flow-separation effects were presented to show the multi-physical phenomenon of the huge rotating wind- turbine blade model.Keywords: Computational Fluid Dynamics (CFD), Computational Multi-Body Dynamics (CMBD), Reynolds-averageNavier-Stokes (RANS), Fluid Structure Interaction (FSI), FiniteElement Method (FEM)
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2922800 Use of Personal Rhythm to Authenticate Encrypted Messages
Authors: Carlos Gonzalez
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When communicating using private and secure keys, there is always the doubt as to the identity of the message creator. We introduce an algorithm that uses the personal typing rhythm (keystroke dynamics) of the message originator to increase the trust of the authenticity of the message originator by the message recipient. The methodology proposes the use of a Rhythm Certificate Authority (RCA) to validate rhythm information. An illustrative example of the communication between Bob and Alice and the RCA is included. An algorithm of how to communicate with the RCA is presented. This RCA can be an independent authority or an enhanced Certificate Authority like the one used in public key infrastructure (PKI).
Keywords: Personal rhythm, public-key encryption, authentication, digital signature, keystroke dynamics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1052799 Developing a Conjugate Heat Transfer Solver
Authors: Mansour A. Al Qubeissi
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The current paper presents a numerical approach in solving the conjugate heat transfer problems. A heat conduction code is coupled internally with a computational fluid dynamics solver for developing a couple conjugate heat transfer solver. Methodology of treating non-matching meshes at interface has also been proposed. The validation results of 1D and 2D cases for the developed conjugate heat transfer code have shown close agreement with the solutions given by analysis.
Keywords: Computational Fluid Dynamics, Conjugate Heat transfer, Heat Conduction, Heat Transfer
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1560798 Spray Combustion Dynamics under Thermoacoustic Oscillations
Authors: Wajid A. Chishty, Stephen D. Lepera, Uri Vandsburger
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Thermoacoustic instabilities in combustors have remained a topic of investigation for over a few decades due to the challenges it posses to the operation of low emission gas turbines. For combustors burning liquid fuel, understanding the cause-andeffect relationship between spray combustion dynamics and thermoacoustic oscillations is imperative for the successful development of any control methodology for its mitigation. The paper presents some very unique operating characteristics of a kerosene-fueled diffusion type combustor undergoing limit-cycle oscillations. Combustor stability limits were mapped using three different-sized injectors. The results show that combustor instability depends on the characteristics of the fuel spray. A simple analytic analysis is also reported in support of a plausible explanation for the unique combustor behavior. The study indicates that high amplitude acoustic pressure in the combustor may cause secondary breakdown of fuel droplets resulting in premixed pre-vaporized type burning of the diffusion type combustor.Keywords: Secondary droplet breakup, Spray dynamics, Taylor Analogy Breakup Model, Thermoacoustic instabilities.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1858797 Verification Process of Cylindrical Contact Force Models for Internal Contact Modeling
Authors: Cândida M. Pereira, Amílcar L. Ramalho, Jorge A. Ambrósio
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In the numerical solution of the forward dynamics of a multibody system, the positions and velocities of the bodies in the system are obtained first. With the information of the system state variables at each time step, the internal and external forces acting on the system are obtained by appropriate contact force models if the continuous contact method is used instead of a discrete contact method. The local deformation of the bodies in contact, represented by penetration, is used to compute the contact force. The ability and suitability with current cylindrical contact force models to describe the contact between bodies with cylindrical geometries with particular focus on internal contacting geometries involving low clearances and high loads simultaneously is discussed in this paper. A comparative assessment of the performance of each model under analysis for different contact conditions, in particular for very different penetration and clearance values, is presented. It is demonstrated that some models represent a rough approximation to describe the conformal contact between cylindrical geometries because contact forces are underestimated.Keywords: Clearance joints, Contact mechanics, Contact dynamics, Internal cylindrical contact, Multibody dynamics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2323796 Learning the Dynamics of Articulated Tracked Vehicles
Authors: Mario Gianni, Manuel A. Ruiz Garcia, Fiora Pirri
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In this work, we present a Bayesian non-parametric approach to model the motion control of ATVs. The motion control model is based on a Dirichlet Process-Gaussian Process (DP-GP) mixture model. The DP-GP mixture model provides a flexible representation of patterns of control manoeuvres along trajectories of different lengths and discretizations. The model also estimates the number of patterns, sufficient for modeling the dynamics of the ATV.Keywords: Dirichlet processes, Gaussian processes, robot control learning, tracked vehicles.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1783795 Biotechonomy System Dynamics Modelling: Sustainability of Pellet Production
Authors: Andra Blumberga, Armands Gravelsins, Haralds Vigants, Dagnija Blumberga
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The paper discovers biotechonomy development analysis by use of system dynamics modelling. The research is connected with investigations of biomass application for production of bioproducts with higher added value. The most popular bioresource is wood, and therefore, the main question today is about future development and eco-design of products. The paper emphasizes and evaluates energy sector which is open for use of wood logs, wood chips, wood pellets and so on. The main aim for this research study was to build a framework to analyse development perspectives for wood pellet production. To reach the goal, a system dynamics model of energy wood supplies, processing, and consumption is built. Production capacity, energy consumption, changes in energy and technology efficiency, required labour source, prices of wood, energy and labour are taken into account. Validation and verification tests with available data and information have been carried out and indicate that the model constitutes the dynamic hypothesis. It is found that the more is invested into pellets production, the higher the specific profit per production unit compared to wood logs and wood chips. As a result, wood chips production is decreasing dramatically and is replaced by wood pellets. The limiting factor for pellet industry growth is availability of wood sources. This is governed by felling limit set by the government based on sustainable forestry principles.
Keywords: Bioenergy, biotechonomy, system dynamics modelling, wood pellets.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1171794 Basic Calibration and Normalization Techniques for Time Domain Reflectometry Measurements
Authors: Shagufta Tabassum
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The study of dielectric properties in a binary mixture of liquids is very useful to understand the liquid structure, molecular interaction, dynamics, and kinematics of the mixture. Time-domain reflectometry (TDR) is a powerful tool for studying the cooperation and molecular dynamics of the H-bonded system. Here we discuss the basic calibration and normalization procedure for TDR measurements. Our aim is to explain different types of error occur during TDR measurements and how to minimize it.
Keywords: time domain reflectometry measurement technique, cable and connector loss, oscilloscope loss, normalization technique
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 509793 Recent Advances on Computational Proteomics
Authors: Sérgio F. Sousa, Nuno M. F. S. A. Cerqueira, Marta A. S. Perez, Irina S. Moreira, António J. M.Ribeiro, Ana R. A. P. Neves, Maria J. Ramos, Pedro A. Fernandes
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In this work we report the recent progresses that have been achieved by our group in the last half decade on the field of computational proteomics. Specifically, we discuss the application of Molecular Dynamics Simulations and Electronic Structure Calculations in drug design, in the clarification of the structural and dynamic properties of proteins and enzymes and in the understanding of the catalytic and inhibition mechanism of cancer-related enzymes. A set of examples illustrate the concepts and help to introduce the reader into this important and fast moving field.
Keywords: Enzyme, Molecular Dynamics, Protein, Quantum Mechanics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1958792 Computational Fluid Dynamics Simulation and Comparison of Flow through Mechanical Heart Valve Using Newtonian and Non-Newtonian Fluid
Authors: D. Šedivý, S. Fialová
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The main purpose of this study is to show differences between the numerical solution of the flow through the artificial heart valve using Newtonian or non-Newtonian fluid. The simulation was carried out by a commercial computational fluid dynamics (CFD) package based on finite-volume method. An aortic bileaflet heart valve (Sorin Bicarbon) was used as a pattern for model of real heart valve replacement. Computed tomography (CT) was used to gain the accurate parameters of the valve. Data from CT were transferred in the commercial 3D designer, where the model for CFD was made. Carreau rheology model was applied as non-Newtonian fluid. Physiological data of cardiac cycle were used as boundary conditions. Outputs were taken the leaflets excursion from opening to closure and the fluid dynamics through the valve. This study also includes experimental measurement of pressure fields in ambience of valve for verification numerical outputs. Results put in evidence a favorable comparison between the computational solutions of flow through the mechanical heart valve using Newtonian and non-Newtonian fluid.Keywords: Computational modeling, dynamic mesh, mechanical heart valve, non-Newtonian fluid, SDOF.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1624791 A Post Keynesian Environmental Macroeconomic Model for Agricultural Water Sustainability under Climate Change in the Murray-Darling Basin, Australia
Authors: Ke Zhao, Ballarat Colin Richardson, Jerry Courvisanos, John Crawford
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Climate change has profound consequences for the agriculture of south-eastern Australia and its climate-induced water shortage in the Murray-Darling Basin. Post Keynesian Economics (PKE) macro-dynamics, along with Kaleckian investment and growth theory, are used to develop an ecological-economic system dynamics model of this complex nonlinear river basin system. The Murray- Darling Basin Simulation Model (MDB-SM) uses the principles of PKE to incorporate the fundamental uncertainty of economic behaviors of farmers regarding the investments they make and the climate change they face, particularly as regards water ecosystem services. MDB-SM provides a framework for macroeconomic policies, especially for long-term fiscal policy and for policy directed at the sustainability of agricultural water, as measured by socio-economic well-being considerations, which include sustainable consumption and investment in the river basin. The model can also reproduce other ecological and economic aspects and, for certain parameters and initial values, exhibit endogenous business cycles and ecological sustainability with realistic characteristics. Most importantly, MDBSM provides a platform for the analysis of alternative economic policy scenarios. These results reveal the importance of understanding water ecosystem adaptation under climate change by integrating a PKE macroeconomic analytical framework with the system dynamics modelling approach. Once parameterised and supplied with historical initial values, MDB-SM should prove to be a practical tool to provide alternative long-term policy simulations of agricultural water and socio-economic well-being.
Keywords: Agricultural water, Macroeconomic dynamics, Modeling, Investment dynamics, Sustainability, Unemployment, Economics, Keynesian, Kaleckian.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2173790 An Organizational Strategic Analysis for Dynamics of Generating Firms- Alliance Networks
Authors: Takao Sakakura, Kazunori Fujimoto
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This paper proposes an analytical method for the dynamics of generating firms- alliance networks along with business phases. Dynamics in network developments have previously been discussed in the research areas of organizational strategy rather than in the areas of regional cluster, where the static properties of the networks are often discussed. The analytical method introduces the concept of business phases into innovation processes and uses relationships called prior experiences; this idea was developed in organizational strategy to investigate the state of networks from the viewpoints of tradeoffs between link stabilization and node exploration. This paper also discusses the results of the analytical method using five cases of the network developments of firms. The idea of Embeddedness helps interpret the backgrounds of the analytical results. The analytical method is useful for policymakers of regional clusters to establish concrete evaluation targets and a viewpoint for comparisons of policy programs.Keywords: Regional Clusters, Alliance Networks, Innovation Processes, Prior Experiences, Embeddedness.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1273789 Understanding Charge Dynamics in Elastomers Adopting Pulsed Electro Acoustic (PEA) Technique
Authors: R. Sarathi, M. G. Danikas, Y. Chen, T. Tanaka
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In the present work, Pulsed Electro Acoustic (PEA) technique was adopted to understand the space charge dynamics in elastomeric material. It is observed that the polarity of the applied DC voltage voltage and its magnitude alters the space charge dynamics in insulation structure. It is also noticed that any addition of compound to the base material/processing technique have characteristic variation in the space charge injection process. It could be concluded based on the present work that the plasticizer could inject heterocharges into the insulation medium. Also it is realized that space charge magnitude is less with the addition of plasticizer. In the PEA studies, it is observed that local electric field in the insulating material can be much more than applied electric field due to space charge formation. One of the important conclusions arrived at based on PEA technique is that one could understand the safe operating electric field of an insulation material and the charge trap sites.Keywords: Pulsed electro acoustic technique, space charge, DCvoltage, elastomers, Electric field, high voltage.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1447788 Hydrodynamic Force on Acoustically Driven Bubble in Sulfuric Acid
Authors: Zeinab Galavani, Reza Rezaei-Nasirabad, Rasoul Sadighi-Bonabi
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Using a force balanced translational-radial dynamics, phase space of the moving single bubble sonoluminescence (m- SBSL) in 85% wt sulfuric acid has been numerically calculated. This phase space is compared with that of single bubble sonoluminescence (SBSL) in pure water which has been calculated by using the mere radial dynamics. It is shown that in 85% wt sulfuric acid, in a general agreement with experiment, the bubble-s positional instability threshold lays under the shape instability threshold. At the onset of spatial instability of moving sonoluminescing (SL) bubble in 85% wt sulfuric acid, temporal effects of the hydrodynamic force on the bubble translational-radial dynamics have been investigated. The appearance of non-zero history force on the moving SL bubble is because of proper condition which was produced by high viscosity of acid. Around the moving bubble collapse due to the rapid contraction of the bubble wall, the inertial based added mass force overcomes the viscous based history force and induces acceleration on the bubble translational motion.Keywords: Bjerknes force, History force, Reynolds number, Sonoluminescence.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1547