Search results for: molecular simulation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3699

Search results for: molecular simulation

2289 Simulation of an Auto-Tuning Bicycle Suspension Fork with Quick Releasing Valves

Authors: Y. C. Mao, G. S. Chen

Abstract:

Bicycle configuration is not as large as those of motorcycles or automobiles, while it indeed composes a complicated dynamic system. People-s requirements on comfortability, controllability and safety grow higher as the research and development technologies improve. The shock absorber affects the vehicle suspension performances enormously. The absorber takes the vibration energy and releases it at a suitable time, keeping the wheel under a proper contact condition with road surface, maintaining the vehicle chassis stability. Suspension design for mountain bicycles is more difficult than that of city bikes since it encounters dynamic variations on road and loading conditions. Riders need a stiff damper as they exert to tread on the pedals when climbing, while a soft damper when they descend downhill. Various switchable shock absorbers are proposed in markets, however riders have to manually switch them among soft, hard and lock positions. This study proposes a novel design of the bicycle shock absorber, which provides automatic smooth tuning of the damping coefficient, from a predetermined lower bound to theoretically unlimited. An automatic quick releasing valve is involved in this design so that it can release the peak pressure when the suspension fork runs into a square-wave type obstacle and prevent the chassis from damage, avoiding the rider skeleton from injury. This design achieves the automatic tuning process by innovative plunger valve and fluidic passage arrangements without any electronic devices. Theoretical modelling of the damper and spring are established in this study. Design parameters of the valves and fluidic passages are determined. Relations between design parameters and shock absorber performances are discussed in this paper. The analytical results give directions to the shock absorber manufacture.

Keywords: Modelling, Simulation, Bicycle, Shock Absorber, Damping, Releasing Valve

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2288 Modified Levenberg-Marquardt Method for Neural Networks Training

Authors: Amir Abolfazl Suratgar, Mohammad Bagher Tavakoli, Abbas Hoseinabadi

Abstract:

In this paper a modification on Levenberg-Marquardt algorithm for MLP neural network learning is proposed. The proposed algorithm has good convergence. This method reduces the amount of oscillation in learning procedure. An example is given to show usefulness of this method. Finally a simulation verifies the results of proposed method.

Keywords: Levenberg-Marquardt, modification, neural network, variable learning rate.

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2287 Sampled-Data Control for Fuel Cell Systems

Authors: H. Y. Jung, Ju H. Park, S. M. Lee

Abstract:

Sampled-data controller is presented for solid oxide fuel cell systems which is expressed by a sector bounded nonlinear model. The proposed control law is obtained by solving a convex problem satisfying several linear matrix inequalities. Simulation results are given to show the effectiveness of the proposed design method.

Keywords: Sampled-data control, Sector bound, Solid oxide fuel cell, Time-delay.

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2286 CFD Modeling of Boiling in a Microchannel Based On Phase-Field Method

Authors: Rahim Jafari, Tuba Okutucu-Özyurt

Abstract:

The hydrodynamics and heat transfer characteristics of a vaporized elongated bubble in a rectangular microchannel have been simulated based on Cahn-Hilliard phase-field method. In the simulations, the initially nucleated bubble starts growing as it comes in contact with superheated water. The growing shape of the bubble compared well with the available experimental data in the literature.

Keywords: Microchannel, boiling, Cahn-Hilliard method, Two-phase flow, Simulation.

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2285 ISTER (Immune System - Tumor Efficiency Rate): An Important Key for Planning in Radiotherapic Facilities

Authors: O. Sotolongo-Grau, D. Rodriguez-Perez, J. A. Santos-Miranda, M. M. Desco, O. Sotolongo-Costa, J. C. Antoranz

Abstract:

The use of the oncologic index ISTER allows for a more effective planning of the radiotherapic facilities in the hospitals. Any change in the radiotherapy treatment, due to unexpected stops, may be adapted by recalculating the doses to the new treatment duration while keeping the optimal prognosis. The results obtained in a simulation model on millions of patients allow the definition of optimal success probability algorithms.

Keywords: Mathematical model, radiation oncology, dynamical systems applications.

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2284 Bifurcation Analysis in a Two-neuron System with Different Time Delays

Authors: Changjin Xu

Abstract:

In this paper, we consider a two-neuron system with time-delayed connections between neurons. By analyzing the associated characteristic transcendental equation, its linear stability is investigated and Hopf bifurcation is demonstrated. Some explicit formulae for determining the stability and the direction of the Hopf bifurcation periodic solutions bifurcating from Hopf bifurcations are obtained by using the normal form theory and center manifold theory. Some numerical simulation results are given to support the theoretical predictions. Finally, main conclusions are given.

Keywords: Two-neuron system, delay, stability, Hopf bifurcation.

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2283 Electronics Thermal Management Driven Design of an IP65-Rated Motor Inverter

Authors: Sachin Kamble, Raghothama Anekal, Shivakumar Bhavi

Abstract:

Thermal management of electronic components packaged inside an IP65 rated enclosure is of prime importance in industrial applications. Electrical enclosure protects the multiple board configurations such as inverter, power, controller board components, busbars, and various power dissipating components from harsh environments. Industrial environments often experience relatively warm ambient conditions, and the electronic components housed in the enclosure dissipate heat, due to which the enclosures and the components require thermal management as well as reduction of internal ambient temperatures. Design of Experiments based thermal simulation approach with MOSFET arrangement, Heat sink design, Enclosure Volume, Copper and Aluminum Spreader, Power density, and Printed Circuit Board (PCB) type were considered to optimize air temperature inside the IP65 enclosure to ensure conducive operating temperature for controller board and electronic components through the different modes of heat transfer viz. conduction, natural convection and radiation using Ansys ICEPAK. MOSFET’s with the parallel arrangement, IP65 enclosure molded heat sink with rectangular fins on both enclosures, specific enclosure volume to satisfy the power density, Copper spreader to conduct heat to the enclosure, optimized power density value and selecting Aluminum clad PCB which improves the heat transfer were the contributors towards achieving a conducive operating temperature inside the IP-65 rated Motor Inverter enclosure. A reduction of 52 ℃ was achieved in internal ambient temperature inside the IP65 enclosure between baseline and final design parameters, which met the operative temperature requirements of the electronic components inside the IP-65 rated Motor Inverter.

Keywords: Ansys ICEPAK, Aluminum Clad PCB, IP 65 enclosure, motor inverter, thermal simulation.

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2282 Influence of Thermo-fluid-dynamic Parameters on Fluidics in an Expanding Thermal Plasma Deposition Chamber

Authors: G. Zuppardi, F. Romano

Abstract:

Technology of thin film deposition is of interest in many engineering fields, from electronic manufacturing to corrosion protective coating. A typical deposition process, like that developed at the University of Eindhoven, considers the deposition of a thin, amorphous film of C:H or of Si:H on the substrate, using the Expanding Thermal arc Plasma technique. In this paper a computing procedure is proposed to simulate the flow field in a deposition chamber similar to that at the University of Eindhoven and a sensitivity analysis is carried out in terms of: precursor mass flow rate, electrical power, supplied to the torch and fluid-dynamic characteristics of the plasma jet, using different nozzles. To this purpose a deposition chamber similar in shape, dimensions and operating parameters to the above mentioned chamber is considered. Furthermore, a method is proposed for a very preliminary evaluation of the film thickness distribution on the substrate. The computing procedure relies on two codes working in tandem; the output from the first code is the input to the second one. The first code simulates the flow field in the torch, where Argon is ionized according to the Saha-s equation, and in the nozzle. The second code simulates the flow field in the chamber. Due to high rarefaction level, this is a (commercial) Direct Simulation Monte Carlo code. Gas is a mixture of 21 chemical species and 24 chemical reactions from Argon plasma and Acetylene are implemented in both codes. The effects of the above mentioned operating parameters are evaluated and discussed by 2-D maps and profiles of some important thermo-fluid-dynamic parameters, as per Mach number, velocity and temperature. Intensity, position and extension of the shock wave are evaluated and the influence of the above mentioned test conditions on the film thickness and uniformity of distribution are also evaluated.

Keywords: Deposition chamber, Direct Simulation Mote Carlo method (DSMC), Plasma chemistry, Rarefied gas dynamics.

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2281 Self – Tuning Method of Fuzzy System: An Application on Greenhouse Process

Authors: M. Massour El Aoud, M. Franceschi, M. Maher

Abstract:

The approach proposed here is oriented in the direction of fuzzy system for the analysis and the synthesis of intelligent climate controllers, the simulation of the internal climate of the greenhouse is achieved by a linear model whose coefficients are obtained by identification. The use of fuzzy logic controllers for the regulation of climate variables represents a powerful way to minimize the energy cost. Strategies of reduction and optimization are adopted to facilitate the tuning and to reduce the complexity of the controller.

Keywords: Greenhouse, fuzzy logic, optimization, gradient descent.

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2280 Analysis of Coal Tar Compositions Produced from Sub-Bituminous Kalimantan Coal Tar

Authors: D. S. Fardhyanti, A. Damayanti

Abstract:

Coal tar is a liquid by-product of coal pyrolysis processes. This liquid oil mixture contains various kinds of useful compounds such as benzoic aromatic compounds and phenolic compounds. These compounds are widely used as raw material for insecticides, dyes, medicines, perfumes, coloring matters, and many others. The coal tar was collected by pyrolysis process of coal obtained from PT Kaltim Prima Coal and Arutmin-Kalimantan. The experiments typically occurred at the atmospheric pressure in a laboratory furnace at temperatures ranging from 300 to 550oC with a heating rate of 10oC/min and a holding time of 1 hour at the pyrolysis temperature. The Gas Chromatography-Mass Spectroscopy (GC-MS) was used to analyze the coal tar components. The obtained coal tar has the viscosity of 3.12 cp, the density of 2.78 g/cm3, the calorific value of 11,048.44 cal/g, and the molecular weight of 222.67. The analysis result showed that the coal tar contained more than 78 chemical compounds such as benzene, cresol, phenol, xylene, naphtalene, etc. The total phenolic compounds contained in coal tar are 33.25% (PT KPC) and 17.58% (Arutmin-Kalimantan). The total naphtalene compounds contained in coal tar is 14.15% (PT KPC) and 17.13% (Arutmin-Kalimantan).

Keywords: Coal tar, pyrolysis, gas chromatography-mass spectroscopy.

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2279 5-Aminolevulinic Acid-Loaded Gel, Sponge Collagen to Enhance the Delivery Ability to Skin

Authors: Yi-Ping Fang, Hsien-Ting Cheng

Abstract:

Topical photodynamic therapy (PDT) with 5-aminolevulinic acid (ALA) is an alternative therapy for treating superficial cancer, especially for skin or oral cancer. ALA, a precursor of the photosensitizer protoporphyrin IX (PpIX), is present as zwitterions and hydrophilic property which make the low permeability through the cell membrane. Collagen is a traditional carrier; its molecular composed various amino acids which bear positive charge and negative charge. In order to utilize the ion-pairs with ALA and collagen, the study employed various pH values adjusting the net charge. The aim of this study was to compare a series collagen form, including solution, gel and sponge to investigate the topical delivery behavior of ALA. The in vivo confocal laser scanning microscopy (CLSM) study demonstrated that PpIX generation ability was different pattern after apply for 6 h. Gel type could generate high PpIX, and archived more deep of skin depth.

Keywords: 5-Aminolevulinic acid (ALA), Collagen, Ion-pairs, Penetration behavior

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2278 A Continuous Time Sigma Delta Modulators Using CMOS Current Conveyors

Authors: E. Farshidi, N. Ahmadpoor

Abstract:

In this paper, a alternative structure method for continuous time sigma delta modulator is presented. In this modulator for implementation of integrators in loop filter second generation current conveyors are employed. The modulator is designed in CMOS technology and features low power consumption (<2.8mW), low supply voltage (±1.65), wide dynamic range (>65db), and with 180khZ bandwidth. Simulation results confirm that this design is suitable for data converters.

Keywords: Current Conveyor, continuous, sigma delta, MOS, modulator

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2277 Comparison between PI and PR Current Controllers in Grid Connected PV Inverters

Authors: D. Zammit, C. Spiteri Staines, M. Apap

Abstract:

This paper presents a comparison between Proportional Integral (PI) and Proportional Resonant (PR) current controllers used in Grid Connected Photovoltaic (PV) Inverters. Both simulation and experimental results will be presented. A 3kW Grid-Connected PV Inverter was designed and constructed for this research.

Keywords: Inverters, Proportional-Integral Controller, Proportional-Resonant Controller, Photovoltaic.

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2276 Contribution to Improving the DFIG Control Using a Multi-Level Inverter

Authors: Imane El Karaoui, Mohammed Maaroufi, Hamid Chaikhy

Abstract:

Doubly Fed Induction Generator (DFIG) is one of the most reliable wind generator. Major problem in wind power generation is to generate Sinusoidal signal with very low THD on variable speed caused by inverter two levels used. This paper presents a multi-level inverter whose objective is to reduce the THD and the dimensions of the output filter. This work proposes a three-level NPC-type inverter, the results simulation are presented demonstrating the efficiency of the proposed inverter.

Keywords: DFIG, multilevel inverter, NPC inverter , THD, Induction machine.

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2275 Eight-State BB84: A C# Simulation

Authors: Liliana Zisu

Abstract:

The first and best known quantum protocol BB84, whose security is unconditional allows the transmission of a key with a length equal to that of the message. This key used with an encryption algorithm leads to an unbreakable cryptographic scheme. Despite advantages the protocol still can be improved in at least two aspects: its efficiency which is of about 50%, only half of the photons transmitted are used to create the encryption key and the second aspect refers to the communication that takes place on the classic channel, as it must be reduced or even eliminated. The paper presents a method that improves the two aspects of the BB84 protocol by using quantum memory and eight states of polarization. The implementation of both the proposed method and the BB84 protocol was done through a C# application.

Keywords: BB84, protocol, quantum cryptography, quantum key distribution.

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2274 A NonLinear Observer of an Electrical Transformer: A Bond Graph Approach

Authors: Gilberto Gonzalez-A , Israel Nuñez

Abstract:

A bond graph model of an electrical transformer including the nonlinear saturation is presented. A nonlinear observer for the transformer based on multivariable circle criterion in the physical domain is proposed. In order to show the saturation and hysteresis effects on the electrical transformer, simulation results are obtained. Finally, the paper describes that convergence of the estimates to the true states is achieved.

Keywords: Bond graph, nonlinear observer, electrical transformer, nonlinear saturation.

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2273 Variable Regularization Parameter Normalized Least Mean Square Adaptive Filter

Authors: Young-Seok Choi

Abstract:

We present a normalized LMS (NLMS) algorithm with robust regularization. Unlike conventional NLMS with the fixed regularization parameter, the proposed approach dynamically updates the regularization parameter. By exploiting a gradient descent direction, we derive a computationally efficient and robust update scheme for the regularization parameter. In simulation, we demonstrate the proposed algorithm outperforms conventional NLMS algorithms in terms of convergence rate and misadjustment error.

Keywords: Regularization, normalized LMS, system identification, robustness.

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2272 MICOSim: A Simulator for Modelling Economic Scheduling in Grid Computing

Authors: Mohammad Bsoul, Iain Phillips, Chris Hinde

Abstract:

This paper is concerned with the design and implementation of MICOSim, an event-driven simulator written in Java for evaluating the performance of Grid entities (users, brokers and resources) under different scenarios such as varying the numbers of users, resources and brokers and varying their specifications and employed strategies.

Keywords: Grid computing, Economic Scheduling, Simulation, Event-Driven, Java.

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2271 I²C Master-Slave Integration

Authors: Rozita Borhan, Lam Kien Sieng

Abstract:

This paper describes I²C Slave implementation using I²C master obtained from the OpenCores website. This website provides free Verilog and VHDL Codes to users. The design implementation for the I²C slave is in Verilog Language and uses EDA tools for ASIC design known as ModelSim from Mentor Graphic. This tool is used for simulation and verification purposes. Common application for this I²C Master-Slave integration is also included. This paper also addresses the advantages and limitations of the said design.

Keywords: I²C, master, opencores, slave, verilog, verification.

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2270 Computer Models of the Vestibular Head Tilt Response, and Their Relationship to EVestG and Meniere's Disease

Authors: Daniel Heibert, Brian Lithgow, Kerry Hourigan

Abstract:

This paper attempts to explain response components of Electrovestibulography (EVestG) using a computer simulation of a three-canal model of the vestibular system. EVestG is a potentially new diagnostic method for Meniere's disease. EVestG is a variant of Electrocochleography (ECOG), which has been used as a standard method for diagnosing Meniere's disease - it can be used to measure the SP/AP ratio, where an SP/AP ratio greater than 0.4-0.5 is indicative of Meniere-s Disease. In EVestG, an applied head tilt replaces the acoustic stimulus of ECOG. The EVestG output is also an SP/AP type plot, where SP is the summing potential, and AP is the action potential amplitude. AP is thought of as being proportional to the size of a population of afferents in an excitatory neural firing state. A simulation of the fluid volume displacement in the vestibular labyrinth in response to various types of head tilts (ipsilateral, backwards and horizontal rotation) was performed, and a simple neural model based on these simulations developed. The simple neural model shows that the change in firing rate of the utricle is much larger in magnitude than the change in firing rates of all three semi-circular canals following a head tilt (except in a horizontal rotation). The data suggests that the change in utricular firing rate is a minimum 2-3 orders of magnitude larger than changes in firing rates of the canals during ipsilateral/backward tilts. Based on these results, the neural response recorded by the electrode in our EVestG recordings is expected to be dominated by the utricle in ipsilateral/backward tilts (It is important to note that the effect of the saccule and efferent signals were not taken into account in this model). If the utricle response dominates the EVestG recordings as the modeling results suggest, then EVestG has the potential to diagnose utricular hair cell damage due to a viral infection (which has been cited as one possible cause of Meniere's Disease).

Keywords: Diagnostic, endolymph hydrops, Meniere's disease, modeling.

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2269 Simulation of a Control System for an Adaptive Suspension System for Passenger Vehicles

Authors: S. Gokul Prassad, S. Aakash, K. Malar Mohan

Abstract:

In the process to cope with the challenges faced by the automobile industry in providing ride comfort, the electronics and control systems play a vital role. The control systems in an automobile monitor various parameters, controls the performances of the systems, thereby providing better handling characteristics. The automobile suspension system is one of the main systems that ensure the safety, stability and comfort of the passengers. The system is solely responsible for the isolation of the entire automobile from harmful road vibrations. Thus, integration of the control systems in the automobile suspension system would enhance its performance. The diverse road conditions of India demand the need of an efficient suspension system which can provide optimum ride comfort in all road conditions. For any passenger vehicle, the design of the suspension system plays a very important role in assuring the ride comfort and handling characteristics. In recent years, the air suspension system is preferred over the conventional suspension systems to ensure ride comfort. In this article, the ride comfort of the adaptive suspension system is compared with that of the passive suspension system. The schema is created in MATLAB/Simulink environment. The system is controlled by a proportional integral differential controller. Tuning of the controller was done with the Particle Swarm Optimization (PSO) algorithm, since it suited the problem best. Ziegler-Nichols and Modified Ziegler-Nichols tuning methods were also tried and compared. Both the static responses and dynamic responses of the systems were calculated. Various random road profiles as per ISO 8608 standard are modelled in the MATLAB environment and their responses plotted. Open-loop and closed loop responses of the random roads, various bumps and pot holes are also plotted. The simulation results of the proposed design are compared with the available passive suspension system. The obtained results show that the proposed adaptive suspension system is efficient in controlling the maximum over shoot and the settling time of the system is reduced enormously.

Keywords: Automobile suspension, MATLAB, control system, PID, PSO.

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2268 To Join or Not to Join: The Effects of Healthcare Networks

Authors: Tal Ben-Zvi, Donald N. Lombardi

Abstract:

This study uses a simulation to establish a realistic environment for laboratory research on Accountable Care Organizations. We study network attributes in order to gain insights regarding healthcare providers- conduct and performance. Our findings indicate how network structure creates significant differences in organizational performance. We demonstrate how healthcare providers positioning themselves at the central, pivotal point of the network while maintaining their alliances with their partners produce better outcomes.

Keywords: Social Networks, Decision-Making, Accountable Care Organizations, Performance

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2267 Control of Chaotic Dynamical Systems using RBF Networks

Authors: Yoichi Ishikawa, Yuichi Masukake, Yoshihisa Ishida

Abstract:

This paper presents a novel control method based on radial basis function networks (RBFNs) for chaotic dynamical systems. The proposed method first identifies the nonlinear part of the chaotic system off-line and then constructs a model-following controller using only the estimated system parameters. Simulation results show the effectiveness of the proposed control scheme.

Keywords: Chaos, nonlinear plant, radial basis function network.

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2266 Heat Generation Rate and Computational Simulation for Li-Ion Battery Module

Authors: Ravichandra R., Srithar Rajoo, Tan Lit Wen

Abstract:

In recent years Li-Ion batteries getting more attention among the Electrical Vehicles (EV) and Hybrid Electrical Vehicles (HEV) energy storage. Li-Ion has shown extended power density and light weight compared to other batteries readily available in the market. One of the major drawbacks in Li-Ion batteries is their sensitivity to the temperature. If the working temperature is beyond the limit, that could affect seriously on the durability and performance of Li-Ion battery. Thus Battery Thermal Management (BTM) is the most essential in adapting Li-Ion battery to the EVs and HEVs.

Keywords: Li-Ion battery, HEV/EV, battery thermal management, heat generation rate.

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2265 Towards an AS Level Network Performance Model

Authors: Huan Xiong, Ming Chen

Abstract:

In order to research Internet quantificationally and better model the performance of network, this paper proposes a novel AS level network performance model (MNPM), it takes autonomous system (AS) as basic modeling unit, measures E2E performance between any two outdegrees of an AS and organizes measurement results into matrix form which called performance matrix (PM). Inter-AS performance calculation is defined according to performance information stored in PM. Simulation has been implemented to verify the correctness of MNPM and a practical application of MNPM (network congestion detection) is given.

Keywords: AS, network performance, model, metric, congestion.

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2264 Simulation of Concrete Wall Subjected to Airblast by Developing an Elastoplastic Spring Model in Modelica Modelling Language

Authors: Leo Laine, Morgan Johansson

Abstract:

To meet the civilizations future needs for safe living and low environmental footprint, the engineers designing the complex systems of tomorrow will need efficient ways to model and optimize these systems for their intended purpose. For example, a civil defence shelter and its subsystem components needs to withstand, e.g. airblast and ground shock from decided design level explosion which detonates with a certain distance from the structure. In addition, the complex civil defence shelter needs to have functioning air filter systems to protect from toxic gases and provide clean air, clean water, heat, and electricity needs to also be available through shock and vibration safe fixtures and connections. Similar complex building systems can be found in any concentrated living or office area. In this paper, the authors use a multidomain modelling language called Modelica to model a concrete wall as a single degree of freedom (SDOF) system with elastoplastic properties with the implemented option of plastic hardening. The elastoplastic model was developed and implemented in the open source tool OpenModelica. The simulation model was tested on the case with a transient equivalent reflected pressure time history representing an airblast from 100 kg TNT detonating 15 meters from the wall. The concrete wall is approximately regarded as a concrete strip of 1.0 m width. This load represents a realistic threat on any building in a city like area. The OpenModelica model results were compared with an Excel implementation of a SDOF model with an elastic-plastic spring using simple fixed timestep central difference solver. The structural displacement results agreed very well with each other when it comes to plastic displacement magnitude, elastic oscillation displacement, and response times.

Keywords: Airblast from explosives, elastoplastic spring model, Modelica modelling language, SDOF, structural response of concrete structure.

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2263 Microbial Oil Production by Isolated Oleaginous Yeast Torulaspora globosa YU5/2

Authors: Ratanaporn Leesing, Ratanaporn Baojungharn

Abstract:

Microbial oil was produced by soil isolated oleaginous yeast YU5/2 in flask-batch fermentation. The yeast was identified by molecular genetics technique based on sequence analysis of the variable D1/D2 domain of the large subunit (26S) ribosomal DNA and it was identified as Torulaspora globosa. T. globosa YU5/2 supported maximum values of 0.520 g/L/d, 0.472 g lipid/g cells, 4.16 g/L, and 0.156 g/L/d for volumetric lipid production rate, and specific yield of lipid, lipid concentration, and specific rate of lipid production respectively, when culture was performed in nitrogen-limiting medium supplemented with 80g/L glucose. Among the carbon sources tested, maximum cell yield coefficient (YX/S, g/L), maximum specific yield of lipid (YP/X, g lipid/g cells) and volumetric lipid production rate (QP, g/L/d) were found of 0.728, 0.237, and 0.619, respectively, using sweet potato tubers hydrolysates as carbon source.

Keywords: Microbial oil, oleaginous yeast, Torulasporaglobosa YU5/2, sweet potato tubers, kinetic parameters.

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2262 Molecular Docking Studies of Mycobacterium tuberculosis RNA Polymerase β Subunit (rpoB) Receptor

Authors: Virupakshaiah DBM, Madiha Ahmed, Smita T. Patil, Chandrakanth Kelmani

Abstract:

Tuberculosis (TB) is a bacterial infectious disease caused by the obligate human pathogen, Mycobacterium tuberculosis. Multidrug-resistant tuberculosis (MDR-TB) is a global reality that threatens tuberculosis control. Resistance to antibiotic Rifampicin, occurs in 95% of cases through nucleotide substitutions in an 81-bp core region of the rpoB i.e; beta subunit of DNA dependant RNA polymerase. In this paper, we studied the Rifampicin-rpoB receptor interactions In silico. First, homology modeling was performed to obtain the three dimensional structure of Mycobacterium rpoB. Sixty analogs of Rifampicin were prepared using Marvin sketch software. Both original Rifampicin and the analogs were docked with rpoB and energy values were obtained. Out of sixty analogs, 43 analogs had lesser energy values than conventional Rifampicin and hence are predicted to have greater binding affinity to rpoB. Thus, this study offers a route for the development of Rifampicin analogs against multi drug resistant Mycobacterium rpoB.

Keywords: Marvin Sketch, Mycobacterium tuberculosis, Rifampicin, rpoB.

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2261 Acoustic Finite Element Analysis of a Slit Model with Consideration of Air Viscosity

Authors: M. Sasajima, M. Watanabe, T. Yamaguchi Y. Kurosawa, Y. Koike

Abstract:

In very narrow pathways, the speed of sound propagation and the phase of sound waves change due to the air viscosity. We have developed a new finite element method (FEM) that includes the effects of air viscosity for modeling a narrow sound pathway. This method is developed as an extension of the existing FEM for porous sound-absorbing materials. The numerical calculation results for several three-dimensional slit models using the proposed FEM are validated against existing calculation methods.

Keywords: Simulation, FEM, air viscosity, slit.

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2260 Family Functionality in Mexican Children with Congenital and Non-Congenital Deafness

Authors: D. Estrella, A. Silva, R. Zapata, H. Rubio

Abstract:

A total of 100 primary caregivers (mothers, fathers, grandparents) with at least one child or grandchild with a diagnosis of congenital bilateral profound deafness were assessed in order to evaluate the functionality of families with a deaf member, who was evaluated by specialists in audiology, molecular biology, genetics and psychology. After confirmation of the clinical diagnosis, DNA from the patients and parents were analyzed in search of the 35delG deletion of the GJB2 gene to determine who possessed the mutation. All primary caregivers were provided psychological support, regardless of whether or not they had the mutation, and prior and subsequent, the family APGAR test was applied. All parents, grandparents were informed of the results of the genetic analysis during the psychological intervention. The family APGAR, after psychological and genetic counseling, showed that 14% perceived their families as functional, 62% moderately functional and 24% dysfunctional. This shows the importance of psychological support in family functionality that has a direct impact on the quality of life of these families.

Keywords: Deafness, psychological support, family, adaptation to disability.

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