Search results for: computational fluids dynamics
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4500

Search results for: computational fluids dynamics

4080 Study of Heat Exchangers in Small Modular Reactors

Authors: Harish Aryal, Roger Hague, Daniel Sotelo, Felipe Astete Salinas

Abstract:

This paper presents a comparative study of different coolants, materials, and temperatures that can affect the effectiveness of heat exchangers that are used in small modular reactors. The corrugated plate heat exchangers were chosen out of different plate options for testing purposes because of their ease of access and better performance than other existing heat exchangers in recent years. SolidWorks enables us to see various results between water coolants and helium coolants acting upon different types of conducting metals, which were selected from different fluids that ultimately satisfied accessibility requirements and were compatible with the software. Though not every element, material, fluid, or method was used in the testing phase, their purpose is to help further research that is to come since the innovation of nuclear power is the future. The tests that were performed are to help better understand the constant necessities that are seen in heat exchangers and through every adjustment see what the breaking points or improvements in the machine are. Depending on consumers and researchers, the results may give further feedback as to show why different types of materials and fluids would be preferred and why it is necessary to keep failures to improve future research.

Keywords: heat exchangers, Solidworks, coolants, small modular reactors, nuclear power, nanofluids, Nusselt number, friction factor, Reynolds number

Procedia PDF Downloads 54
4079 Transport of Analytes under Mixed Electroosmotic and Pressure Driven Flow of Power Law Fluid

Authors: Naren Bag, S. Bhattacharyya, Partha P. Gopmandal

Abstract:

In this study, we have analyzed the transport of analytes under a two dimensional steady incompressible flow of power-law fluids through rectangular nanochannel. A mathematical model based on the Cauchy momentum-Nernst-Planck-Poisson equations is considered to study the combined effect of mixed electroosmotic (EO) and pressure driven (PD) flow. The coupled governing equations are solved numerically by finite volume method. We have studied extensively the effect of key parameters, e.g., flow behavior index, concentration of the electrolyte, surface potential, imposed pressure gradient and imposed electric field strength on the net average flow across the channel. In addition to study the effect of mixed EOF and PD on the analyte distribution across the channel, we consider a nonlinear model based on general convective-diffusion-electromigration equation. We have also presented the retention factor for various values of electrolyte concentration and flow behavior index.

Keywords: electric double layer, finite volume method, flow behavior index, mixed electroosmotic/pressure driven flow, non-Newtonian power-law fluids, numerical simulation

Procedia PDF Downloads 293
4078 A Case for Introducing Thermal-Design Optimisation Using Excel Spreadsheet

Authors: M. M. El-Awad

Abstract:

This paper deals with the introduction of thermal-design optimisation to engineering students by using Microsoft's Excel as a modelling platform. Thermal-design optimisation is an iterative process which involves the evaluation of many thermo-physical properties that vary with temperature and/or pressure. Therefore, suitable modelling software, such as Engineering Equation Solver (EES) or Interactive Thermodynamics (IT), is usually used for this purpose. However, such proprietary applications may not be available to many educational institutions in developing countries. This paper presents a simple thermal-design case that demonstrates how the principles of thermo-fluids and economics can be jointly applied so as to find an optimum solution to a thermal-design problem. The paper describes the solution steps and provides all the equations needed to solve the case with Microsoft Excel. The paper also highlights the advantage of using VBA (Visual Basic for Applications) for developing user-defined functions when repetitive or complex calculations are met. VBA makes Excel a powerful, yet affordable, the computational platform for introducing various engineering principles.

Keywords: engineering education, thermal design, Excel, VBA, user-defined functions

Procedia PDF Downloads 365
4077 Turbulent Channel Flow Synthesis using Generative Adversarial Networks

Authors: John M. Lyne, K. Andrea Scott

Abstract:

In fluid dynamics, direct numerical simulations (DNS) of turbulent flows require large amounts of nodes to appropriately resolve all scales of energy transfer. Due to the size of these databases, sharing these datasets amongst the academic community is a challenge. Recent work has been done to investigate the use of super-resolution to enable database sharing, where a low-resolution flow field is super-resolved to high resolutions using a neural network. Recently, Generative Adversarial Networks (GAN) have grown in popularity with impressive results in the generation of faces, landscapes, and more. This work investigates the generation of unique high-resolution channel flow velocity fields from a low-dimensional latent space using a GAN. The training objective of the GAN is to generate samples in which the distribution of the generated samplesis ideally indistinguishable from the distribution of the training data. In this study, the network is trained using samples drawn from a statistically stationary channel flow at a Reynolds number of 560. Results show that the turbulent statistics and energy spectra of the generated flow fields are within reasonable agreement with those of the DNS data, demonstrating that GANscan produce the intricate multi-scale phenomena of turbulence.

Keywords: computational fluid dynamics, channel flow, turbulence, generative adversarial network

Procedia PDF Downloads 187
4076 Non-Newtonian Fluid Flow Simulation for a Vertical Plate and a Square Cylinder Pair

Authors: Anamika Paul, Sudipto Sarkar

Abstract:

The flow behaviour of non-Newtonian fluid is quite complicated, although both the pseudoplastic (n < 1, n being the power index) and dilatant (n > 1) fluids under this category are used immensely in chemical and process industries. A limited research work is carried out for flow over a bluff body in non-Newtonian flow environment. In the present numerical simulation we control the vortices of a square cylinder by placing an upstream vertical splitter plate for pseudoplastic (n=0.8), Newtonian (n=1) and dilatant (n=1.2) fluids. The position of the upstream plate is also varied to calculate the critical distance between the plate and cylinder, below which the cylinder vortex shedding suppresses. Here the Reynolds number is considered as Re = 150 (Re = U∞a/ν, where U∞ is the free-stream velocity of the flow, a is the side of the cylinder and ν is the maximum value of kinematic viscosity of the fluid), which comes under laminar periodic vortex shedding regime. The vertical plate is having a dimension of 0.5a × 0.05a and it is placed at the cylinder centre-line. Gambit 2.2.30 is used to construct the flow domain and to impose the boundary conditions. In detail, we imposed velocity inlet (u = U∞), pressure outlet (Neumann condition), symmetry (free-slip boundary condition) at upper and lower domain. Wall boundary condition (u = v = 0) is considered both on the cylinder and the splitter plate surfaces. The unsteady 2-D Navier Stokes equations in fully conservative form are then discretized in second-order spatial and first-order temporal form. These discretized equations are then solved by Ansys Fluent 14.5 implementing SIMPLE algorithm written in finite volume method. Here, fine meshing is used surrounding the plate and cylinder. Away from the cylinder, the grids are slowly stretched out in all directions. To get an account of mesh quality, a total of 297 × 208 grid points are used for G/a = 3 (G being the gap between the plate and cylinder) in the streamwise and flow-normal directions respectively after a grid independent study. The computed mean flow quantities obtained from Newtonian flow are agreed well with the available literatures. The results are depicted with the help of instantaneous and time-averaged flow fields. Qualitative and quantitative noteworthy differences are obtained in the flow field with the changes in rheology of fluid. Also, aerodynamic forces and vortex shedding frequencies differ with the gap-ratio and power index of the fluid. We can conclude from the present simulation that fluent is capable to capture the vortex dynamics of unsteady laminar flow regime even in the non-Newtonian flow environment.

Keywords: CFD, critical gap-ratio, splitter plate, wake-wake interactions, dilatant, pseudoplastic

Procedia PDF Downloads 104
4075 Linear Complementary Based Approach for Unilateral Frictional Contact between Wheel and Beam

Authors: Muskaan Sethi, Arnab Banerjee, Bappaditya Manna

Abstract:

The present paper aims to investigate a suitable contact between a wheel rolling over a flexible beam. A Linear Complementary (LCP) based approach has been adopted to simulate the contact dynamics for a rigid wheel traversing over a flexible Euler Bernoulli simply supported beam. The adopted methodology is suitable to incorporate the effect of frictional force acting at the wheel-beam interface. Moreover, the possibility of the generation of a gap between the two bodies has also been considered. The present method is based on a unilateral contact assumption which assumes that no penetration would occur when the two bodies come in contact. This assumption helps to predict the contact between wheels and beams in a more practical sense. The proposed methodology is validated with the previously published results and is found to be in good agreement. Further, this method is applied to simulate the contact between wheels and beams for various railway configurations. Moreover, different parametric studies are conducted to study the contact dynamics between the wheel and beam more thoroughly.

Keywords: contact dynamics, linear complementary problem, railway dynamics, unilateral contact

Procedia PDF Downloads 86
4074 Effects of Pressure and Temperature on the Extraction of Benzyl Isothiocyanate by Supercritical Fluids from Tropaeolum majus L. Leaves

Authors: Espinoza S. Clara, Gamarra Q. Flor, Marianela F. Ramos Quispe S. Miguel, Flores R. Omar

Abstract:

Tropaeolum majus L. is a native plant to South and Central America, used since ancient times by our ancestors to combat different diseases. Glucotropaeolonin is one of its main components, which when hydrolyzed, forms benzyl isothiocyanate (BIT) that promotes cellular apoptosis (programmed cell death in cancer cells). Therefore, the present research aims to evaluate the effect of the pressure and temperature of BIT extraction by supercritical CO2 from Tropaeolum majus L. The extraction was carried out in a supercritical fluid extractor equipment Speed SFE BASIC Brand: Poly science, the leaves of Tropaeolum majus L. were ground for one hour and lyophilized until obtaining a humidity of 6%. The extraction with supercritical CO2 was carried out with pressures of 200 bar and 300 bar, temperatures of 50°C, 60°C and 70°C, obtained by the conjugation of these six treatments. BIT was identified by thin layer chromatography using 98% BIT as the standard, and as the mobile phase hexane: dichloromethane (4:2). Subsequently, BIT quantification was performed by high performance liquid chromatography (HPLC). The highest yield of oleoresin by supercritical CO2 extraction was obtained pressure 300 bar and temperature at 60°C; and the higher content of BIT at pressure 200 bar and 70°C for 30 minutes to obtain 113.615 ± 0.03 mg BIT/100 g dry matter was obtained.

Keywords: solvent extraction, Tropaeolum majus L., supercritical fluids, benzyl isothiocyanate

Procedia PDF Downloads 425
4073 Binarized-Weight Bilateral Filter for Low Computational Cost Image Smoothing

Authors: Yu Zhang, Kohei Inoue, Kiichi Urahama

Abstract:

We propose a simplified bilateral filter with binarized coefficients for accelerating it. Its computational cost is further decreased by sampling pixels. This computationally low cost filter is useful for smoothing or denoising images by using mobile devices with limited computational power.

Keywords: bilateral filter, binarized-weight bilateral filter, image smoothing, image denoising, pixel sampling

Procedia PDF Downloads 458
4072 From Linear to Nonlinear Deterrence: Deterrence for Rising Power

Authors: Farhad Ghasemi

Abstract:

Along with transforming the international system into a complex and chaotic system, the fundamental question arises: how can deterrence be reconstructed conceptually and theoretically in this system model? The deterrence system is much more complex today than it was seven decades ago. This article suggests that the perception of deterrence as a linear system is a fundamental mistake because it does not consider the new dynamics of the international system, including network power dynamics. The author aims to improve this point by focusing on complexity and chaos theories, especially their nonlinearity and cascading failure principles. This article proposes that the perception of deterrence as a linear system is a fundamental mistake, as the new dynamics of the surrounding international system do not take into account. The author recognizes deterrence as a nonlinear system and introduces it as a concept in strategic studies.

Keywords: complexity, international system, deterrence, linear deterrence, nonlinear deterrence

Procedia PDF Downloads 127
4071 A Computational Fluid Dynamics Simulation of Single Rod Bundles with 54 Fuel Rods without Spacers

Authors: S. K. Verma, S. L. Sinha, D. K. Chandraker

Abstract:

The Advanced Heavy Water Reactor (AHWR) is a vertical pressure tube type, heavy water moderated and boiling light water cooled natural circulation based reactor. The fuel bundle of AHWR contains 54 fuel rods arranged in three concentric rings of 12, 18 and 24 fuel rods. This fuel bundle is divided into a number of imaginary interacting flow passage called subchannels. Single phase flow condition exists in reactor rod bundle during startup condition and up to certain length of rod bundle when it is operating at full power. Prediction of the thermal margin of the reactor during startup condition has necessitated the determination of the turbulent mixing rate of coolant amongst these subchannels. Thus, it is vital to evaluate turbulent mixing between subchannels of AHWR rod bundle. With the remarkable progress in the computer processing power, the computational fluid dynamics (CFD) methodology can be useful for investigating the thermal–hydraulic characteristics phenomena in the nuclear fuel assembly. The present report covers the results of simulation of pressure drop, velocity variation and turbulence intensity on single rod bundle with 54 rods in circular arrays. In this investigation, 54-rod assemblies are simulated with ANSYS Fluent 15 using steady simulations with an ANSYS Workbench meshing. The simulations have been carried out with water for Reynolds number 9861.83. The rod bundle has a mean flow area of 4853.0584 mm2 in the bare region with the hydraulic diameter of 8.105 mm. In present investigation, a benchmark k-ε model has been used as a turbulence model and the symmetry condition is set as boundary conditions. Simulation are carried out to determine the turbulent mixing rate in the simulated subchannels of the reactor. The size of rod and the pitch in the test has been same as that of actual rod bundle in the prototype. Water has been used as the working fluid and the turbulent mixing tests have been carried out at atmospheric condition without heat addition. The mean velocity in the subchannel has been varied from 0-1.2 m/s. The flow conditions are found to be closer to the actual reactor condition.

Keywords: AHWR, CFD, single-phase turbulent mixing rate, thermal–hydraulic

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4070 A Study of Chaos Control Schemes for Plankton-Fish Dynamics

Authors: Rajinder Pal Kaur, Amit Sharma, Anuj Kumar Sharma, Govind Prasad Sahu

Abstract:

The existence of chaos in the marine ecosystems may cause planktonic blooms, disease outbreaks, extinction of some plankton species, or some complex dynamics in oceans, which can adversely affect the sustainable marine ecosystem. The control of the chaotic plankton-fish dynamics is one of the main motives of marine ecologists. In this paper, we have studied the impact of phytoplankton refuge, zooplankton refuge, and fear effect on the chaotic plankton-fish dynamics incorporating phytoplankton, zooplankton, and fish biomass. The fear of fish predation transfers the unpredictable(chaotic) behavior of the plankton system to a stable orbit. The defense mechanism developed by prey species due to fear of the predator population can also terminate chaos from the given dynamics. Moreover, the impact of external disturbances like seasonality, noise, periodic fluctuations, and time delay on the given chaotic plankton system has also been discussed. We have applied feedback mechanisms to control the complexity of the system through the parameter noise. The non-feedback schemes are implemented to observe the role of seasonal force, periodic fluctuations, and time delay in suppressing the given chaotic system. Analytical results are substantiated by numerical simulation.

Keywords: plankton, chaos, noise, seasonality, fluctuations, fear effect, prey refuge

Procedia PDF Downloads 67
4069 Nafion Multiwalled Carbon Nano Tubes Composite Film Modified Glassy Carbon Sensor for the Voltammetric Estimation of Dianabol Steroid in Pharmaceuticals and Biological Fluids

Authors: Nouf M. Al-Ourfi, A. S. Bashammakh, M. S. El-Shahawi

Abstract:

The redox behavior of dianabol steroid (DS) on Nafion Multiwalled Carbon nano -tubes (MWCNT) composite film modified glassy carbon electrode (GCE) in various buffer solutions was studied using cyclic voltammetry (CV) and differential pulse- adsorptive cathodic stripping voltammetry (DP-CSV) and successfully compared with the results at non modified bare GCE. The Nafion-MWCNT composite film modified GCE exhibited the best electrochemical response among the two electrodes for the electro reduction of DS that was inferred from the EIS, CV and DP-CSV. The modified sensor showed a sensitive, stable and linear response in the concentration range of 5 – 100 nM with a detection limit of 0.08 nM. The selectivity of the proposed sensor was assessed in the presence of high concentration of major interfering species. The analytical application of the sensor for the quantification of DS in pharmaceutical formulations and biological fluids (urine) was determined and the results demonstrated acceptable recovery and RSD of 5%. Statistical treatment of the results of the proposed method revealed no significant differences in the accuracy and precision. The relative standard deviations for five measurements of 50 and 300 ng mL−1 of DS were 3.9 % and 1.0 %, respectively.

Keywords: dianabol steroid, determination, modified GCE, urine

Procedia PDF Downloads 271
4068 Developing A Third Degree Of Freedom For Opinion Dynamics Models Using Scales

Authors: Dino Carpentras, Alejandro Dinkelberg, Michael Quayle

Abstract:

Opinion dynamics models use an agent-based modeling approach to model people’s opinions. Model's properties are usually explored by testing the two 'degrees of freedom': the interaction rule and the network topology. The latter defines the connection, and thus the possible interaction, among agents. The interaction rule, instead, determines how agents select each other and update their own opinion. Here we show the existence of the third degree of freedom. This can be used for turning one model into each other or to change the model’s output up to 100% of its initial value. Opinion dynamics models represent the evolution of real-world opinions parsimoniously. Thus, it is fundamental to know how real-world opinion (e.g., supporting a candidate) could be turned into a number. Specifically, we want to know if, by choosing a different opinion-to-number transformation, the model’s dynamics would be preserved. This transformation is typically not addressed in opinion dynamics literature. However, it has already been studied in psychometrics, a branch of psychology. In this field, real-world opinions are converted into numbers using abstract objects called 'scales.' These scales can be converted one into the other, in the same way as we convert meters to feet. Thus, in our work, we analyze how this scale transformation may affect opinion dynamics models. We perform our analysis both using mathematical modeling and validating it via agent-based simulations. To distinguish between scale transformation and measurement error, we first analyze the case of perfect scales (i.e., no error or noise). Here we show that a scale transformation may change the model’s dynamics up to a qualitative level. Meaning that a researcher may reach a totally different conclusion, even using the same dataset just by slightly changing the way data are pre-processed. Indeed, we quantify that this effect may alter the model’s output by 100%. By using two models from the standard literature, we show that a scale transformation can transform one model into the other. This transformation is exact, and it holds for every result. Lastly, we also test the case of using real-world data (i.e., finite precision). We perform this test using a 7-points Likert scale, showing how even a small scale change may result in different predictions or a number of opinion clusters. Because of this, we think that scale transformation should be considered as a third-degree of freedom for opinion dynamics. Indeed, its properties have a strong impact both on theoretical models and for their application to real-world data.

Keywords: degrees of freedom, empirical validation, opinion scale, opinion dynamics

Procedia PDF Downloads 140
4067 Model-Free Distributed Control of Dynamical Systems

Authors: Javad Khazaei, Rick Blum

Abstract:

Distributed control is an efficient and flexible approach for coordination of multi-agent systems. One of the main challenges in designing a distributed controller is identifying the governing dynamics of the dynamical systems. Data-driven system identification is currently undergoing a revolution. With the availability of high-fidelity measurements and historical data, model-free identification of dynamical systems can facilitate the control design without tedious modeling of high-dimensional and/or nonlinear systems. This paper develops a distributed control design using consensus theory for linear and nonlinear dynamical systems using sparse identification of system dynamics. Compared with existing consensus designs that heavily rely on knowing the detailed system dynamics, the proposed model-free design can accurately capture the dynamics of the system with available measurements and input data and provide guaranteed performance in consensus and tracking problems. Heterogeneous damped oscillators are chosen as examples of dynamical system for validation purposes.

Keywords: consensus tracking, distributed control, model-free control, sparse identification of dynamical systems

Procedia PDF Downloads 243
4066 Dynamics of the Moving Ship at Complex and Sudden Impact of External Forces

Authors: Bo Liu, Liangtian Gao, Idrees Qasim

Abstract:

The impact of the storm leads to accidents even in the case of vessels that meet the computed safety criteria for stability. That is why, in order to clarify the causes of the accident and shipwreck, it is necessary to study the dynamics of the ship under the complex sudden impact of external forces. The task is to determine the movement and landing of the ship in the complex and sudden impact of external forces, i.e. when the ship's load changes over a relatively short period of time. For the solution, a technique was used to study the ship's dynamics, which is based on the compilation of a system of differential equations of motion. A coordinate system was adopted for the equation of motion of the hull and the determination of external forces. As a numerical method of integration, the 4th order Runge-Kutta method was chosen. The results of the calculation show that dynamic deviations were lower for high-altitude vessels. The study of the movement of the hull under a difficult situation is performed: receiving of cargo, impact of a flurry of wind and subsequent displacement of the cargo. The risk of overturning and flooding was assessed.

Keywords: dynamics, statics, roll, trim, vertical displacement, dynamic load, tilt

Procedia PDF Downloads 202
4065 Entropy Generation Analysis of Cylindrical Heat Pipe Using Nanofluid

Authors: Morteza Ghanbarpour, Rahmatollah Khodabandeh

Abstract:

In this study, second law of thermodynamic is employed to evaluate heat pipe thermal performance. In fact, nanofluids potential to decrease the entropy generation of cylindrical heat pipes are studied and the results are compared with experimental data. Some cylindrical copper heat pipes of 200 mm length and 6.35 mm outer diameter were fabricated and tested with distilled water and water based Al2O3 nanofluids with volume concentrations of 1-5% as working fluids. Nanofluids are nanotechnology-based colloidal suspensions fabricated by suspending nanoparticles in a base liquid. These fluids have shown potential to enhance heat transfer properties of the base liquids used in heat transfer application. When the working fluid undergoes between different states in heat pipe cycle the entropy is generated. Different sources of irreversibility in heat pipe thermodynamic cycle are investigated and nanofluid effect on each of these sources is studied. Both experimental and theoretical studies reveal that nanofluid is a good choice to minimize the entropy generation in heat pipe thermodynamic cycle which results in higher thermal performance and efficiency of the system.

Keywords: heat pipe, nanofluid, thermodynamics, entropy generation, thermal resistance

Procedia PDF Downloads 450
4064 Simulation of Behaviour Dynamics and Optimization of the Energy System

Authors: Iva Dvornik, Sandro Božić, Žana Božić Brkić

Abstract:

System-dynamic simulating modelling is one of the most appropriate and successful scientific methods of the complex, non-linear, natural, technical and organizational systems. In the recent practice its methodology proved to be efficient in solving the problems of control, behavior, sensitivity and flexibility of the system dynamics behavior having a high degree of complexity, all these by computing simulation i.e. “under laboratory conditions” what means without any danger for observed realities. This essay deals with the research of the gas turbine dynamic process as well as the operating pump units and transformation of gas energy into hydraulic energy has been simulated. In addition, system mathematical model has been also researched (gas turbine- centrifugal pumps – pipeline pressure system – storage vessel).

Keywords: system dynamics, modelling, centrifugal pump, turbine, gases, continuous and discrete simulation, heuristic optimisation

Procedia PDF Downloads 91
4063 Coding Considerations for Standalone Molecular Dynamics Simulations of Atomistic Structures

Authors: R. O. Ocaya, J. J. Terblans

Abstract:

The laws of Newtonian mechanics allow ab-initio molecular dynamics to model and simulate particle trajectories in material science by defining a differentiable potential function. This paper discusses some considerations for the coding of ab-initio programs for simulation on a standalone computer and illustrates the approach by C language codes in the context of embedded metallic atoms in the face-centred cubic structure. The algorithms use velocity-time integration to determine particle parameter evolution for up to several thousands of particles in a thermodynamical ensemble. Such functions are reusable and can be placed in a redistributable header library file. While there are both commercial and free packages available, their heuristic nature prevents dissection. In addition, developing own codes has the obvious advantage of teaching techniques applicable to new problems.

Keywords: C language, molecular dynamics, simulation, embedded atom method

Procedia PDF Downloads 288
4062 Stress Recovery and Durability Prediction of a Vehicular Structure with Random Road Dynamic Simulation

Authors: Jia-Shiun Chen, Quoc-Viet Huynh

Abstract:

This work develops a flexible-body dynamic model of an all-terrain vehicle (ATV), capable of recovering dynamic stresses while the ATV travels on random bumpy roads. The fatigue life of components is forecasted as well. While considering the interaction between dynamic forces and structure deformation, the proposed model achieves a highly accurate structure stress prediction and fatigue life prediction. During the simulation, stress time history of the ATV structure is retrieved for life prediction. Finally, the hot sports of the ATV frame are located, and the frame life for combined road conditions is forecasted, i.e. 25833.6 hr. If the usage of vehicle is eight hours daily, the total vehicle frame life is 8.847 years. Moreover, the reaction force and deformation due to the dynamic motion can be described more accurately by using flexible body dynamics than by using rigid-body dynamics. Based on recommendations made in the product design stage before mass production, the proposed model can significantly lower development and testing costs.

Keywords: flexible-body dynamics, veicle, dynamics, fatigue, durability

Procedia PDF Downloads 375
4061 Heat Capacity of a Soluble in Water Protein: Equilibrium Molecular Dynamics Simulation

Authors: A. Rajabpour, A. Hadizadeh Kheirkhah

Abstract:

Heat transfer is of great importance to biological systems in order to function properly. In the present study, specific heat capacity as one of the most important heat transfer properties is calculated for a soluble in water Lysozyme protein. Using equilibrium molecular dynamics (MD) simulation, specific heat capacities of pure water, dry lysozyme, and lysozyme-water solution are calculated at 300K for different weight fractions. It is found that MD results are in good agreement with ideal binary mixing rule at small weight fractions. Results of all simulations have been validated with experimental data.

Keywords: specific heat capacity, molecular dynamics simulation, lysozyme protein, equilibrium

Procedia PDF Downloads 290
4060 Periodically Forced Oscillator with Noisy Chaotic Dynamics

Authors: Adedayo Oke Adelakun

Abstract:

The chaotic dynamics of periodically forced oscillators with smooth potential has been extensively investigated via theoretical, numerical and experimental simulations. With the advent of the study of chaotic dynamics by means of method of multiple time scale analysis, Melnikov theory, bifurcation diagram, Poincare's map, bifurcation diagrams and Lyapunov exponents, it has become necessary to seek for a better understanding of nonlinear oscillator with noisy term. In this paper, we examine the influence of noise on complex dynamical behaviour of periodically forced F6 - Duffing oscillator for specific choice of noisy parameters. The inclusion of noisy term improves the dynamical behaviour of the oscillator which may have wider application in secure communication than smooth potential.

Keywords: hierarchical structure, periodically forced oscillator, noisy parameters, dynamical behaviour, F6 - duffing oscillator

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4059 Effective Stiffness, Permeability, and Reduced Wall Shear Stress of Highly Porous Tissue Engineering Scaffolds

Authors: Hassan Mohammadi Khujin

Abstract:

Tissue engineering is the science of tissues and complex organs creation using scaffolds, cells and biologically active components. Most cells require scaffolds to grow and proliferate. These temporary support structures for tissue regeneration are later replaced with extracellular matrix produced inside the body. Recent advances in additive manufacturing methods allow production of highly porous, complex three dimensional scaffolds suitable for cell growth and proliferation. The current paper investigates the mechanical properties, including elastic modulus and compressive strength, as well as fluid flow dynamics, including permeability and flow-induced shear stress of scaffolds with four triply periodic minimal surface (TPMS) configurations, namely the Schwarz primitive, the Schwarz diamond, the gyroid, and the Neovius structures. Higher porosity in all scaffold types resulted in lower mechanical properties. The permeability of the scaffolds was determined using Darcy's law with reference to geometrical parameters and the pressure drop derived from the computational fluid dynamics (CFD) analysis. Higher porosity enhanced permeability and reduced wall shear stress in all scaffold designs.

Keywords: highly porous scaffolds, tissue engineering, finite elements analysis, CFD analysis

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4058 A Qualitative Description of the Dynamics in the Interactions between Three Populations: Pollinators, Plants, and Herbivores

Authors: Miriam Sosa-Díaz, Faustino Sánchez-Garduño

Abstract:

In population dynamics the study of both, the abundance and the spatial distribution of the populations in a given habitat, is a fundamental issue a From ecological point of view, the determination of the factors influencing such changes involves important problems. In this paper a mathematical model to describe the temporal dynamic and the spatiotemporal dynamic of the interaction of three populations (pollinators, plants and herbivores) is presented. The study we present is carried out by stages: 1. The temporal dynamics and 2. The spatio-temporal dynamics. In turn, each of these stages is developed by considering three cases which correspond to the dynamics of each type of interaction. For instance, for stage 1, we consider three ODE nonlinear systems describing the pollinator-plant, plant-herbivore and plant-pollinator-herbivore, interactions, respectively. In each of these systems different types of dynamical behaviors are reported. Namely, transcritical and pitchfork bifurcations, existence of a limit cycle, existence of a heteroclinic orbit, etc. For the spatiotemporal dynamics of the two mathematical models a novel factor are introduced. This consists in considering that both, the pollinators and the herbivores, move towards those places of the habitat where the plant population density is high. In mathematical terms, this means that the diffusive part of the pollinators and herbivores equations depend on the plant population density. The analysis of this part is presented by considering pairs of populations, i. e., the pollinator-plant and plant-herbivore interactions and at the end the two mathematical model is presented, these models consist of two coupled nonlinear partial differential equations of reaction-diffusion type. These are defined on a rectangular domain with the homogeneous Neumann boundary conditions. We focused in the role played by the density dependent diffusion term into the coexistence of the populations. For both, the temporal and spatio-temporal dynamics, a several of numerical simulations are included.

Keywords: bifurcation, heteroclinic orbits, steady state, traveling wave

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4057 Modernizer'ness as Madness: A Comparative Historical Study of Emperor Tewodros II of Ethiopia and Sultan Selim III of Ottoman Turkey's Modernization Reforms

Authors: Seid Ahmed Mohammed, Nedim Yalansiz

Abstract:

Many historians hardly gave due attention for historical comparison as their methods of study. They were still stunt supporter of the use of their own historical research method in their studies. But this method lacks the way to analyze some worldwide dynamics of events in comparative perspectives. Some dynamics like revolution, modernization, societal change and transformation needs broader analysis for broadening our historical knowledge’s by comparing and contrasting of the causes, courses and consequences of such dynamics historical developments in the world at large. In this paper, our study focuses up on ‘the dynamics of modernization’ and the challenge of modernity of the old regimes. For instance, countries like Turkey, Ethiopia, China, Russia, Iran, Afghanistan and Thailand have almost the same dynamics in facing the challenge of modernity. In such countries, the old regimes tried to introduce modernization and ‘reform from the above’ in order to tackle the gradual decline of the empire that faced strong challenge from the outside world. The other similarity of them was that as the rulers attempted to introduce the modernization reforms the old traditional and the religious institutions strongly opposed the reforms as the reforms alienated the power and prestige of the traditional classes. Similarly, the rules introduced modernization for maintaining their own unique socio-cultural and religious dynamics not as borrowing and acculturation of the west by complete destruction of their own. Therefore, this paper attempted to give a comparative analysis of two modernizers Tewodros II (1855-1868) of Ethiopia and Sultan Selim III (1739-1808) of Ottoman Turkey who tried to modernize their empire unfortunately they paid their precious life as a result of modernization.

Keywords: comparative history, Ethiopia, modernization, Ottoman Turkey

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4056 Numerical Solutions of Fractional Order Epidemic Model

Authors: Sadia Arshad, Ayesha Sohail, Sana Javed, Khadija Maqbool, Salma Kanwal

Abstract:

The dynamical study of the carriers play an essential role in the evolution and global transmission of infectious diseases and will be discussed in this study. To make this approach novel, we will consider the fractional order model which is generalization of integer order derivative to an arbitrary number. Since the integration involved is non local therefore this property of fractional operator is very useful to study epidemic model for infectious diseases. An extended numerical method (ODE solver) is implemented on the model equations and we will present the simulations of the model for different values of fractional order to study the effect of carriers on transmission dynamics. Global dynamics of fractional model are established by using the reproduction number.

Keywords: Fractional differential equation, Numerical simulations, epidemic model, transmission dynamics

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4055 Simulation of Flow Patterns in Vertical Slot Fishway with Cylindrical Obstacles

Authors: Mohsen Solimani Babarsad, Payam Taheri

Abstract:

Numerical results of vertical slot fishways with and without cylinders study are presented. The simulated results and the measured data in the fishways are compared to validate the application of the model. This investigation is made using FLUENT V.6.3, a Computational Fluid Dynamics solver. Advantages of using these types of numerical tools are the possibility of avoiding the St.-Venant equations’ limitations, and turbulence can be modeled by means of different models such as the k-ε model. In general, the present study has demonstrated that the CFD model could be useful for analysis and design of vertical slot fishways with cylinders.

Keywords: slot Fish-way, CFD, k-ε model, St.-Venant equations’

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4054 A Sensitive Uric Acid Electrochemical Sensing in Biofluids Based on Ni/Zn Hydroxide Nanocatalyst

Authors: Nathalia Florencia Barros Azeredo, Josué Martins Gonçalves, Pamela De Oliveira Rossini, Koiti Araki, Lucio Angnes

Abstract:

This work demonstrates the electroanalysis of uric acid (UA) at very low working potential (0 V vs Ag/AgCl) directly in body fluids such as saliva and sweat using electrodes modified with mixed -Ni0.75Zn0.25(OH)2 nanoparticles exhibiting stable electrocatalytic responses from alkaline down to weakly acidic media (pH 14 to 3 range). These materials were prepared for the first time and fully characterized by TEM, XRD, and spectroscopic techniques. The electrochemical properties of the modified electrodes were evaluated in a fast and simple procedure for uric acid analyses based on cyclic voltammetry and chronoamperometry, pushing down the detection and quantification limits (respectively of 2.3*10-8 and 7.6*10-8 mol L-1) with good repeatability (RSD = 3.2% for 30 successive analyses pH 14). Finally, the possibility of real application was demonstrated upon realization of unexpectedly robust and sensitive modified FTO (fluorine doped tin oxide) glass and screen-printed sensors for measurement of uric acid directly in real saliva and sweat samples, with no significant interference of usual concentrations of ascorbic acid, acetaminophen, lactate and glucose present in those body fluids (Fig. 1).

Keywords: nickel hydroxide, mixed catalyst, uric acid sensors, biofluids

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4053 A Qualitative Study of the Effect of Sibling and Parental Relationships on Coping Mechanisms in Families of Children with Autism Spectrum Disorder

Authors: Smriti Gour, Neelam Pandey

Abstract:

The objective of this study was to describe and analyse the mutual relationship between the coping mechanisms used by the families of a child with Autism Spectrum Disorder (ASD) and family dynamics and the effect sibling interactions have on the dynamics and coping mechanisms in an urban setup. In-depth interviews were conducted for 25 families, with 4 members each in the Delhi NCR area in India. The families who were interviewed had a younger child who had received a diagnosis of ASD between the ages of 5-12. The in-depth questionnaires contained open-ended questions and the interviews were conducted separately for the mother, father and the typically developing sibling. The key findings of the study suggested that lack of communication was a common factor in most families (n=19) leading to other difficulties like stress and relationship dysfunction. It also fostered a fallacious perception of the relationship dynamics in the family in most of the interviewed families and changed depending on the family member being interviewed. In families where the typically developing elder sibling had a good relationship with the autistic child, the family dynamics were found to be more stable, and the overall family well-being was better maintained. The coping mechanisms employed by the families were also more positive and tended to work better if the typically developing sibling maintained a positive and interactive relationship with the parents and the autistic child. The type of coping mechanisms had a major impact on the relationship between the parents and in dictating the dynamics of the family of the child with ASD. Spirituality, professional help, family support and household help emerged to be the most effective coping mechanisms for the families, with spirituality emerging to be the most positive and effective coping mechanism in the families interviewed.

Keywords: autism spectrum disorder, coping mechanism, family dynamics, parental relationships, siblings

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4052 Perspectives of Computational Modeling in Sanskrit Lexicons

Authors: Baldev Ram Khandoliyan, Ram Kishor

Abstract:

India has a classical tradition of Sanskrit Lexicons. Research work has been done on the study of Indian lexicography. India has seen amazing strides in Information and Communication Technology (ICT) applications for Indian languages in general and for Sanskrit in particular. Since Machine Translation from Sanskrit to other Indian languages is often the desired goal, traditional Sanskrit lexicography has attracted a lot of attention from the ICT and Computational Linguistics community. From Nighaŋţu and Nirukta to Amarakośa and Medinīkośa, Sanskrit owns a rich history of lexicography. As these kośas do not follow the same typology or standard in the selection and arrangement of the words and the information related to them, several types of Kośa-styles have emerged in this tradition. The model of a grammar given by Aṣṭādhyāyī is well appreciated by Indian and western linguists and grammarians. But the different models provided by lexicographic tradition also have importance. The general usefulness of Sanskrit traditional Kośas is well discussed by some scholars. That is most of the matter made available in the text. Some also have discussed the good arrangement of lexica. This paper aims to discuss some more use of the different models of Sanskrit lexicography especially focusing on its computational modeling and its use in different computational operations.

Keywords: computational lexicography, Sanskrit Lexicons, nighanṭu, kośa, Amarkosa

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4051 An Effective Modification to Multiscale Elastic Network Model and Its Evaluation Based on Analyses of Protein Dynamics

Authors: Weikang Gong, Chunhua Li

Abstract:

Dynamics plays an essential role in function exertion of proteins. Elastic network model (ENM), a harmonic potential-based and cost-effective computational method, is a valuable and efficient tool for characterizing the intrinsic dynamical properties encoded in biomacromolecule structures and has been widely used to detect the large-amplitude collective motions of proteins. Gaussian network model (GNM) and anisotropic network model (ANM) are the two often-used ENM models. In recent years, many ENM variants have been proposed. Here, we propose a small but effective modification (denoted as modified mENM) to the multiscale ENM (mENM) where fitting weights of Kirchhoff/Hessian matrixes with the least square method (LSM) is modified since it neglects the details of pairwise interactions. Then we perform its comparisons with the original mENM, traditional ENM, and parameter-free ENM (pfENM) on reproducing dynamical properties for the six representative proteins whose molecular dynamics (MD) trajectories are available in http://mmb.pcb.ub.es/MoDEL/. In the results, for B-factor prediction, mENM achieves the best performance among the four ENM models. Additionally, it is noted that with the weights of the multiscale Kirchhoff/Hessian matrixes modified, interestingly, the modified mGNM/mANM still has a much better performance than the corresponding traditional ENM and pfENM models. As to dynamical cross-correlation map (DCCM) calculation, taking the data obtained from MD trajectories as the standard, mENM performs the worst while the results produced by the modified mENM and pfENM models are close to those from MD trajectories with the latter a little better than the former. Generally, ANMs perform better than the corresponding GNMs except for the mENM. Thus, pfANM and the modified mANM, especially the former, have an excellent performance in dynamical cross-correlation calculation. Compared with GNMs (except for mGNM), the corresponding ANMs can capture quite a number of positive correlations for the residue pairs nearly largest distances apart, which is maybe due to the anisotropy consideration in ANMs. Furtherly, encouragingly the modified mANM displays the best performance in capturing the functional motional modes, followed by pfANM and traditional ANM models, while mANM fails in all the cases. This suggests that the consideration of long-range interactions is critical for ANM models to produce protein functional motions. Based on the analyses, the modified mENM is a promising method in capturing multiple dynamical characteristics encoded in protein structures. This work is helpful for strengthening the understanding of the elastic network model and provides a valuable guide for researchers to utilize the model to explore protein dynamics.

Keywords: elastic network model, ENM, multiscale ENM, molecular dynamics, parameter-free ENM, protein structure

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