Search results for: finite element modelling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2484

Search results for: finite element modelling

834 Forecasting Issues in Energy Markets within a Reg-ARIMA Framework

Authors: Ilaria Lucrezia Amerise

Abstract:

Electricity markets throughout the world have undergone substantial changes. Accurate, reliable, clear and comprehensible modeling and forecasting of different variables (loads and prices in the first instance) have achieved increasing importance. In this paper, we describe the actual state of the art focusing on reg-SARMA methods, which have proven to be flexible enough to accommodate the electricity price/load behavior satisfactory. More specifically, we will discuss: 1) The dichotomy between point and interval forecasts; 2) The difficult choice between stochastic (e.g. climatic variation) and non-deterministic predictors (e.g. calendar variables); 3) The confrontation between modelling a single aggregate time series or creating separated and potentially different models of sub-series. The noteworthy point that we would like to make it emerge is that prices and loads require different approaches that appear irreconcilable even though must be made reconcilable for the interests and activities of energy companies.

Keywords: Forecasting problem, interval forecasts, time series, electricity prices, reg-plus-SARMA methods.

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833 Probability of Globality

Authors: Eva Eggeling, Dieter W. Fellner, Torsten Ullrich

Abstract:

The objective of global optimization is to find the globally best solution of a model. Nonlinear models are ubiquitous in many applications and their solution often requires a global search approach; i.e. for a function f from a set A ⊂ Rn to the real numbers, an element x0 ∈ A is sought-after, such that ∀ x ∈ A : f(x0) ≤ f(x). Depending on the field of application, the question whether a found solution x0 is not only a local minimum but a global one is very important. This article presents a probabilistic approach to determine the probability of a solution being a global minimum. The approach is independent of the used global search method and only requires a limited, convex parameter domain A as well as a Lipschitz continuous function f whose Lipschitz constant is not needed to be known.

Keywords: global optimization, probability theory, probability of globality

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832 Critical Velocities for Particle Transport from Experiments and CFD Simulations

Authors: Sajith Sajeev, Brenton McLaury, Siamack Shirazi

Abstract:

In the petroleum industry, solid particles are often present along with the produced fluids. It is imperative to keep particles from accumulating in flow lines. In this study, various experiments are conducted to study sand particle transport, where critical velocity is defined as the average fluid velocity to keep particles continuously moving. Many parameters related to the fluid, particles and pipe affect the transport process. Experimental results are presented varying the particle concentration. Additionally, CFD simulations using a discrete element modeling (DEM) approach are presented to compare with experimental result.

Keywords: Particle transport, critical velocity, CFD, DEM.

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831 Comparative Analysis between Corn and Ramon (Brosimum alicastrum) Starches to Be Used as Sustainable Bio-Based Plastics

Authors: C. R. Ríos-Soberanis, V. M. Moo-Huchin, R. J. Estrada-Leon, E. Perez-Pacheco

Abstract:

Polymers from renewable resources have attracted an increasing amount of attention over the last two decades, predominantly due to two major reasons: firstly environmental concerns, and secondly the realization that our petroleum resources are finite. Finding new uses for agricultural commodities is also an important area of research. Therefore, it is crucial to get new sources of natural materials that can be used in different applications. Ramon tree (Brosimum alicastrum) is a tropical plant that grows freely in Yucatan countryside. This paper focuses on the seeds recollection, processing and starch extraction and characterization in order to find out about its suitability as biomaterial. Results demonstrated that it has a high content of qualities to be used not only as comestible but also as an important component in polymeric blends.

Keywords: Biomaterials, biopolymer, starch, characterization techniques.

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830 Modelling for Temperature Non-Isothermal Continuous Stirred Tank Reactor Using Fuzzy Logic

Authors: Nasser Mohamed Ramli, Mohamad Syafiq Mohamad

Abstract:

Many types of controllers were applied on the continuous stirred tank reactor (CSTR) unit to control the temperature. In this research paper, Proportional-Integral-Derivative (PID) controller are compared with Fuzzy Logic controller for temperature control of CSTR. The control system for temperature non-isothermal of a CSTR will produce a stable response curve to its set point temperature. A mathematical model of a CSTR using the most general operating condition was developed through a set of differential equations into S-function using MATLAB. The reactor model and S-function are developed using m.file. After developing the S-function of CSTR model, User-Defined functions are used to link to SIMULINK file. Results that are obtained from simulation and temperature control were better when using Fuzzy logic control compared to PID control.

Keywords: CSTR, temperature, PID, fuzzy logic.

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829 Forced Heat Transfer Convection in a Porous Channel with an Oriented Confined Jet

Authors: A. Abdedou, K. Bouhadef

Abstract:

The present study is an analysis of the forced convection heat transfer in porous channel with an oriented jet at the inlet with uniform velocity and temperature distributions. The upper wall is insulated when the bottom one is kept at constant temperature higher than that of the fluid at the entrance. The dynamic field is analysed by the Brinkman-Forchheimer extended Darcy model and the thermal field is traduced by the energy one equation model. The numerical solution of the governing equations is obtained by using the finite volume method. The results mainly concern the effect of Reynolds number, jet angle and thermal conductivity ratio on the flow structure and local and average Nusselt numbers evolutions.

Keywords: Forced convection, oriented confined jet, porous media.

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828 Impacts of Project-Overload on Innovation inside Organizations: Agent-Based Modeling

Authors: Farnaz Motamediyan Dehkordi, Anthony Thompson, Tobias Larsson

Abstract:

Market competition and a desire to gain advantages on globalized market, drives companies towards innovation efforts. Project overload is an unpleasant phenomenon, which is happening for employees inside those organizations trying to make the most efficient use of their resources to be innovative. But what are the impacts of project overload on organization-s innovation capabilities? Advanced engineering teams (AE) inside a major heavy equipment manufacturer are suffering from project overload in their quest for innovation. In this paper, Agent-based modeling (ABM) is used to examine the current reality of the company context, and of the AE team, where the opportunities and challenges for reducing the risk of project overload and moving towards innovation were identified. Project overload is more likely to stifle innovation and creativity inside teams. On the other hand, motivations on proper challenging goals are more likely to help individual to alleviate the negative aspects of low level of project overload.

Keywords: Innovation, Creativity, Project overload, Agentbased modelling.

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827 Analysis of a Fluid Behavior in a Rectangular Enclosure under the Effect of Magnetic Field

Authors: Y.Bakhshan, H.Ashoori

Abstract:

In this research, a 2-D computational analysis of steady state free convection in a rectangular enclosure filled with an electrically conducting fluid under Effect of Magnetic Field has been performed. The governing equations (mass, momentum, and energy) are formulated and solved by a finite volume method (FVM) subjected to different boundary conditions. A parametric study has been conducted to consider the influence of Grashof number (Gr), Prantdl number (Pr) and the orientation of magnetic field on the flow and heat transfer characteristics. It is observed that Nusselt number (Nu) and heat flux will increase with increasing Grashof and Prandtl numbers and decreasing the slope of the orientation of magnetic field.

Keywords: Rectangular Cavity, magneto-hydrodynamic, free convection, simulation

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826 The Effects of Tissue Optical Parameters and Interface Reflectivity on Light Diffusion in Biological Tissues

Authors: MA. Ansari

Abstract:

In cancer progress, the optical properties of tissues like absorption and scattering coefficient change, so by these changes, we can trace the progress of cancer, even it can be applied for pre-detection of cancer. In this paper, we investigate the effects of changes of optical properties on light penetrated into tissues. The diffusion equation is widely used to simulate light propagation into biological tissues. In this study, the boundary integral method (BIM) is used to solve the diffusion equation. We illustrate that the changes of optical properties can modified the reflectance or penetrating light.

Keywords: Diffusion equation, boundary element method, refractive index

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825 Alternating Implicit Block FDTD Method For Scalar Wave Equation

Authors: N. M. Nusi, M. Othman, M. Suleiman, F. Ismail, N. Alias

Abstract:

In this paper, an alternating implicit block method for solving two dimensional scalar wave equation is presented. The new method consist of two stages for each time step implemented in alternating directions which are very simple in computation. To increase the speed of computation, a group of adjacent points is computed simultaneously. It is shown that the presented method increase the maximum time step size and more accurate than the conventional finite difference time domain (FDTD) method and other existing method of natural ordering.

Keywords: FDTD, Scalar wave equation, alternating direction implicit (ADI), alternating group explicit (AGE), asymmetric approximation.

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824 Artificial Neural Network Models of the Ruminal pH in Holstein Steers

Authors: Alireza Vakili, Mohsen Danesh Mesgaran, Majid Abdollazade

Abstract:

In this study four Holstein steers with rumen fistula fed 7 kg of dry matter (DM) of diets differing in concentrate to alfalfa hay ratios as 60:40, 70:30, 80:20, and 90:10 in a 4 × 4 latin square design. The pH of the ruminal fluid was measured before the morning feeding (0.0 h) to 8 h post feeding. In this study, a two-layered feed-forward neural network trained by the Levenberg-Marquardt algorithm was used for modelling of ruminal pH. The input variables of the network were time, concentrate to alfalfa hay ratios (C/F), non fiber carbohydrate (NFC) and neutral detergent fiber (NDF). The output variable was the ruminal pH. The modeling results showed that there was excellent agreement between the experimental data and predicted values, with a high determination coefficient (R2 >0.96). Therefore, we suggest using these model-derived biological values to summarize continuously recorded pH data.

Keywords: Ruminal pH, Artificial Neural Network (ANN), Non Fiber Carbohydrate, Neutral Detergent Fiber.

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823 Identification of a PWA Model of a Batch Reactor for Model Predictive Control

Authors: Gorazd Karer, Igor Skrjanc, Borut Zupancic

Abstract:

The complex hybrid and nonlinear nature of many processes that are met in practice causes problems with both structure modelling and parameter identification; therefore, obtaining a model that is suitable for MPC is often a difficult task. The basic idea of this paper is to present an identification method for a piecewise affine (PWA) model based on a fuzzy clustering algorithm. First we introduce the PWA model. Next, we tackle the identification method. We treat the fuzzy clustering algorithm, deal with the projections of the fuzzy clusters into the input space of the PWA model and explain the estimation of the parameters of the PWA model by means of a modified least-squares method. Furthermore, we verify the usability of the proposed identification approach on a hybrid nonlinear batch reactor example. The result suggest that the batch reactor can be efficiently identified and thus formulated as a PWA model, which can eventually be used for model predictive control purposes.

Keywords: Batch reactor, fuzzy clustering, hybrid systems, identification, nonlinear systems, PWA systems.

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822 Electrodeposited Silver Nanostructures: A Non-Enzymatic Sensor for Hydrogen Peroxide

Authors: Mandana Amiri, Sima Nouhi, Yashar Azizan-Kalandaragh

Abstract:

Silver nanostructures have been successfully fabricated by using electrodeposition method onto indium-tin-oxide (ITO) substrate. Scanning electron microscopy (SEM), electrochemical impedance spectroscopy (EIS) and ultraviolet-visible spectroscopy (UV-Vis) techniques were employed for characterization of silver nanostructures. The results show nanostructures with different morphology and electrochemical properties can be obtained by various the deposition potentials and times. Electrochemical behavior of the nanostructures has been studied by using cyclic voltammetry. Silver nanostructures exhibits good electrocatalytic activity towards the reduction of H2O2. The presented electrode can be employed as sensing element for hydrogen peroxide.

Keywords: Electrochemical sensor, electrodeposition, hydrogen peroxide, silver nanostructures.

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821 Factors in a Sustainability Assessment of New Types of Closed Cavity Façades

Authors: Zoran Veršić, Josip Galić, Marin Binički, Lucija Stepinac

Abstract:

With the current increase in CO2 emissions and global warming, the sustainability of both existing and new solutions must be assessed on a wide scale. As the implementation of closed cavity façades (CCF) is on the rise, various factors must be included in the analysis of new types of CCF. This paper aims to cover the relevant factors included in the sustainability assessment of new types of CCF. Several mathematical models are being used to describe the physical behavior of CCF. Depending on the type of CCF, they cover the main factors which affect the durability of the façade: thermal behavior of various elements in the façade, stress and deflection of the glass panels, pressure and the moisture control in the cavity. CCF itself represents a complex system in which all mentioned factors must be considered mutually. Still, the façade is only an envelope of a more complex system, the building. Choice of the façade dictates the heat loss and the heat gain, thermal comfort of inner space, natural lighting, and ventilation. Annual energy consumption for heating, cooling, lighting, and maintenance costs will present the operational advantages or disadvantages of the chosen façade system in economic and environmental aspects. Still, the only operational viewpoint is not all-inclusive. As the building codes constantly demand higher energy efficiency as well as transfer to renewable energy sources, the ratio of embodied and lifetime operational energy footprint of buildings is changing. With the drop in operational energy CO2 emissions, embodied energy emissions present a larger and larger share in the lifecycle emissions of the building. Taking all into account, the sustainability assessment of a façade, as well as other major building elements, should include all mentioned factors during the lifecycle of an element. The challenge of such an approach is a timescale. Depending on the climatic conditions on the building site, the expected lifetime of a glazed façade can exceed 25 years. In such a timespan, some of the factors can be estimated more precisely than the others. However, the ones depending on the socio-economic conditions are more likely to be harder to predict than the natural ones like the climatic load. This work recognizes and summarizes the relevant factors needed for the assessment of a new type of CCF, considering the entire lifetime of a façade element in an environmental aspect.

Keywords: Assessment, closed cavity façade, life cycle, sustainability.

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820 Using Exponential Lévy Models to Study Implied Volatility patterns for Electricity Options

Authors: Pinho C., Madaleno M.

Abstract:

German electricity European options on futures using Lévy processes for the underlying asset are examined. Implied volatility evolution, under each of the considered models, is discussed after calibrating for the Merton jump diffusion (MJD), variance gamma (VG), normal inverse Gaussian (NIG), Carr, Geman, Madan and Yor (CGMY) and the Black and Scholes (B&S) model. Implied volatility is examined for the entire sample period, revealing some curious features about market evolution, where data fitting performances of the five models are compared. It is shown that variance gamma processes provide relatively better results and that implied volatility shows significant differences through time, having increasingly evolved. Volatility changes for changed uncertainty, or else, increasing futures prices and there is evidence for the need to account for seasonality when modelling both electricity spot/futures prices and volatility.

Keywords: Calibration, Electricity Markets, Implied Volatility, Lévy Models, Options on Futures, Pricing

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819 Similarity Based Membership of Elements to Uncertain Concept in Information System

Authors: M. Kamel El-Sayed

Abstract:

The process of determining the degree of membership for an element to an uncertain concept has been found in many ways, using equivalence and symmetry relations in information systems. In the case of similarity, these methods did not take into account the degree of symmetry between elements. In this paper, we use a new definition for finding the membership based on the degree of symmetry. We provide an example to clarify the suggested methods and compare it with previous methods. This method opens the door to more accurate decisions in information systems.

Keywords: Information system, uncertain concept, membership function, similarity relation, degree of similarity.

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818 Modeling Residential Space Heating Energy for Romania

Authors: Ion Smeureanu, Adriana Reveiu, Marian Dardala, Titus Felix Furtuna, Roman Kanala

Abstract:

This paper proposes a linear model for optimizing domestic energy consumption in Romania. The particularity of the model is that it is putting in competition both tangible technologies and thermal insulation projects with different financing modes. The model is optimizing the energy system by minimizing the global discounted cost in household sector, by integrating residential lighting, space heating, hot water, combined space heating – hot water, as well as space cooling, in a monolithic model. Another demand sector included is the passenger transport. This paper focuses on space heating part, analyzing technical and economic issues related to investment decisions to envelope and insulate buildings, in order to minimize energy consumption.

Keywords: Consumer behavior, energy modelling, Open Source Energy Modeling System (OSeMOSYS), MARKAL/TIMES Romanian energy model.

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817 A Microwave Bandstop Filter Using Defected Microstrip Structure

Authors: H. Elftouh, N. T. Amar, M. Aghoutane, M. Boussouis

Abstract:

In this paper, two bandstop filters resonating at 5.25 GHz and 7.3 GHz using Defected Microstrip Structure (DMS) are discussed. These slots are incorporated in the feed lines of filters to perform a serious LC resonance property in certain frequency and suppress the spurious signals. Therefore, this method keeps the filter size unchanged and makes a resonance frequency that is due to the abrupt change of the current path of the filter. If the application requires elimination of this band of frequencies, additional filter elements are required, which can only be accomplished by adding this DMS element resonant at desired frequency band rejection. The filters are optimized and simulated with Computer Simulation Technology (CST) tool.

Keywords: Defected microstrip structure, microstrip filters, passive filter.

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816 TACS : Thermo Acoustic Cooling System

Authors: Z. Zarid, C. Gamba, A. Brusseaux, C. Laborie, K. Briens

Abstract:

Cooling with sound is a physical phenomenon allowed by Thermo-Acoustics in which acoustic energy is transformed into a negative heat transfer, in other words: into cooling! Without needing any harmful gas, the transformation is environmentally friendly and can respond to many needs in terms of air conditioning, food refrigeration for domestic use, and cooling medical samples for example. To explore the possibilities of this cooling solution on a small scale, the TACS prototype has been designed, consisting of a low cost thermoacoustic refrigerant “pipe” able to lower the temperature by a few degrees. The obtained results are providing an interesting element for possible future of thermo-acoustic refrigeration.

Keywords: Domestic Scale Cooling System, Thermoacoustic, Environmental Friendly Refrigeration.

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815 Regional Medical Imaging System

Authors: Michal Javornik, Otto Dostal, Karel Slavicek

Abstract:

The purpose of this article is to introduce an advanced system for the support of processing of medical image information, and the terminology related to this system, which can be an important element to a faster transition to a fully digitalized hospital. The core of the system is a set of DICOM compliant applications running over a dedicated computer network. The whole integrated system creates a collaborative platform supporting daily routines in the radiology community, developing communication channels, supporting the exchange of information and special consultations among various medical institutions as well as supporting medical training for practicing radiologists and medical students. It gives the users outside of hospitals the tools to work in almost the same conditions as in the radiology departments.

Keywords: DICOM, Integration, Medical Education, MedicalImaging

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814 Effect of Groove Location on the Dynamic Characteristics of Multiple Axial Groove Water Lubricated Journal Bearing

Authors: M. Vijaya Kini, R. S. Pai, D. Srikanth Rao, Satish Shenoy B, R. Pai

Abstract:

The stability characteristics of water lubricated journal bearings having three axial grooves are obtained theoretically. In this lubricant (water) is fed under pressure from one end of the bearing, through the 3-axial grooves (groove angles may vary). These bearings can use the process fluid as the lubricant, as in the case of feed water pumps. The Reynolds equation is solved numerically by the finite difference method satisfying the boundary conditions. The stiffness and damping coefficient for various bearing number and eccentricity ratios, assuming linear pressure drop along the groove, shows that smaller groove angles better results.

Keywords: 3-axial groove, dynamic characteristics, groovelocation, water lubricated bearings.

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813 Rating Charts of R-22 Alternatives Flow through Adiabatic Capillary Tubes

Authors: E. Elgendy, J. Schmidt

Abstract:

Drop-in of R-22 alternatives in refrigeration and air conditioning systems requires a redesign of system components to improve system performance and reliability with the alternative refrigerants. The present paper aims at design adiabatic capillary tubes for R-22 alternatives such as R-417A, R-422D and R-438A. A theoretical model has been developed and validated with the available experimental data from literature for R-22 over a wide range of both operating and geometrical parameters. Predicted lengths of adiabatic capillary tube are compared with the lengths of the capillary tube needed under similar experimental conditions and majority of predictions are found to be within 4.4% of the experimental data. Hence, the model has been applied for R-417A, R- 422D and R-438A and capillary tube selection charts and correlations have been computed. Finally a comparison between the selected refrigerants and R-22 has been introduced and the results showed that R-438A is the closest one to R-22.

Keywords: Adiabatic flow, Capillary tube, R-22 alternatives, Rating charts, Modelling.

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812 A Numerical Method for Diffusion and Cahn-Hilliard Equations on Evolving Spherical Surfaces

Authors: Jyh-Yang Wu, Sheng-Gwo Chen

Abstract:

In this paper, we present a simple effective numerical geometric method to estimate the divergence of a vector field over a curved surface. The conservation law is an important principle in physics and mathematics. However, many well-known numerical methods for solving diffusion equations do not obey conservation laws. Our presented method in this paper combines the divergence theorem with a generalized finite difference method and obeys the conservation law on discrete closed surfaces. We use the similar method to solve the Cahn-Hilliard equations on evolving spherical surfaces and observe stability results in our numerical simulations.

Keywords: Conservation laws, diffusion equations, Cahn-Hilliard Equations, evolving surfaces.

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811 A Project-Orientated Training Concept to Prepare Students for Systems Engineering Activities

Authors: Elke Mackensen

Abstract:

Systems Engineering plays a key role during industrial product development of complex technical systems. The need for systems engineers in industry is growing. But there is a gap between the industrial need and the academic education. Normally the academic education is focused on the domain specific design, implementation and testing of technical systems. Necessary systems engineering expertise like knowledge about requirements analysis, product cost estimation, management or social skills are poorly taught. Thus there is the need of new academic concepts for teaching systems engineering skills. This paper presents a project-orientated training concept to prepare students from different technical degree programs for systems engineering activities. The training concept has been initially implemented and applied in the industrial engineering master program of the University of Applied Sciences Offenburg.

Keywords: Educational systems engineering training, requirements analysis, system modelling, SysML.

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810 An Approach of the Inverter Voltage Used for the Linear Machine with Multi Air-Gap Structure

Authors: Pierre Kenfack

Abstract:

In this paper we present a contribution for the modelling and control of the inverter voltage of a permanent magnet linear generator with multi air-gap structure. The time domain control method is based on instant comparison of reference signals, in the form of current or voltage, with actual or measured signals. The reference current or voltage must be kept close to the actual signal with a reasonable tolerance. In this work, the time domain control method is used to control tracking signals. The performance evaluation concerns the continuation of reference signal. Simulations validate very well the tracking of reference variables (current, voltage) by measured or actual signals. All is simulated and presented under PSIM Software to show the performance and robustness of the proposed controller.

Keywords: Control, permanent magnet, linear machine, multi air-gap structure.

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809 A Thermodynamic Solution for the Static and Dynamic Characteristics of a Two-Lobe Journal Bearing

Authors: B. Chetti, W. A. Crosby

Abstract:

The work described in this paper is an investigation of the static and dynamic characteristics of two-lobe journal bearings taking into consideration the thermal effects. A thermo-hydrodynamic solution of a finite two-lobe journal bearing is performed by solving the generalized form Reynolds equation with the energy equation, taking into consideration viscosity variation across the film thickness. The static and dynamic characteristics were numerically obtained. The results are evaluated for different values of viscosity-temperature coefficient and Peclet number. The results show that considering the thermal effects in the solution of the two-lobe journal bearing has a marked on the study of its stability.

Keywords: Two-lobe bearing, thermal effect, static and dynamic characteristics.

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808 Smart Spoiler for Race Car

Authors: M.H. Djavareshkian, A. Esmaeli

Abstract:

A pressure-based implicit procedure to solve Navier- Stokes equations on a nonorthogonal mesh with collocated finite volume formulation is used to simulate flow around the smart and conventional flaps of spoiler under the ground effect. Cantilever beam with uniformly varying load with roller support at the free end is considered for smart flaps. The boundedness criteria for this procedure are determined from a Normalized Variable diagram (NVD) scheme. The procedure incorporates es the k -ε eddyviscosity turbulence model. The method is first validated against experimental data. Then, the algorithm is applied for turbulent aerodynamic flows around a spoiler section with smart and conventional flaps for different attack angle, flap angle and ground clearance where the results of two flaps are compared.

Keywords: Smart spoiler, Ground Effect, Flap, Aerodynamic coefficients, Race car.

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807 Towards Benchmarking English Residential Gas Consumption

Authors: J.Morris, D.Allinson, J.Harrison, K.J. Lomas

Abstract:

The UK Government has emphasized the role of Local Authorities as a key player in its flagship residential energy efficiency strategies, by identifying and targeting areas for energy efficiency improvements. Residential energy consumption in England is characterized by significant geographical variation in energy demand, which makes centralized targeting of areas for energy efficiency intervention difficult. This paper draws on research which aims to understand how demographic, social, economic, urban form and climatic factors influence the geographical variations in English residential gas consumption. The paper reports the findings of a multiple regression model that shows how 64% of the geographical variation in residential gas consumption is accounted for by variations in these factors. Results from this study, after further refinement and validation, can be used by Local Authorities to identify areas within their boundaries that have higher than expected gas consumption, these may be prime targets for energy efficiency initiatives.

Keywords: UK Housing, Heating Energy, Socio-Economics, Statistical Modelling

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806 Dynamic Meshing for Material Point Method Computations

Authors: Wookuen Shin, Gregory R. Miller, Pedro Arduino, Peter Mackenzie-Helnwein

Abstract:

This paper presents strategies for dynamically creating, managing and removing mesh cells during computations in the context of the Material Point Method (MPM). The dynamic meshing approach has been developed to help address problems involving motion of a finite size body in unbounded domains in which the extent of material travel and deformation is unknown a priori, such as in the case of landslides and debris flows. The key idea is to efficiently instantiate and search only cells that contain material points, thereby avoiding unneeded storage and computation. Mechanisms for doing this efficiently are presented, and example problems are used to demonstrate the effectiveness of dynamic mesh management relative to alternative approaches.

Keywords: Numerical Analysis, Material Point Method, Large Deformations, Moving Boundaries.

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805 Structural Basis of Resistance of Helicobacterpylori DnaK to Antimicrobial Peptide Pyrrhocoricin

Authors: Musammat F. Nahar, Anna Roujeinikova

Abstract:

Bacterial molecular chaperone DnaK plays an essential role in protein folding, stress response and transmembrane targeting of proteins. DnaKs from many bacterial species, including Escherichia coli, Salmonella typhimurium and Haemophilus infleunzae are the molecular targets for the insect-derived antimicrobial peptide pyrrhocoricin. Pyrrhocoricin-like peptides bind in the substrate recognition tunnel. Despite the high degree of crossspecies sequence conservation in the substrate-binding tunnel, some bacteria are not sensitive to pyrrhocoricin. This work addresses the molecular mechanism of resistance of Helicobacter pylori DnaK to pyrrhocoricin. Homology modelling, structural and sequence analysis identify a single aminoacid substitution at the interface between the lid and the β-sandwich subdomains of the DnaK substrate-binding domain as the major determinant for its resistance.

Keywords: Helicobacter pylori, molecular chaperone DnaK, pyrrhocoricin, structural biology.

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