Search results for: Molecular dynamic simulation NMR-MDavg

Authors: Faezeh Mosallat, Eric L. Bibeau, Tarek El Mekkawy

Abstract:

Parabolic solar trough systems have seen limited deployments in cold northern climates as they are more suitable for electricity production in southern latitudes. A numerical dynamic model is developed to simulate troughs installed in cold climates and validated using a parabolic solar trough facility in Winnipeg. The model is developed in Simulink and will be utilized to simulate a trigeneration system for heating, cooling and electricity generation in remote northern communities. The main objective of this simulation is to obtain operational data of solar troughs in cold climates and use the model to determine ways to improve the economics and address cold weather issues. In this paper the validated Simulink model is applied to simulate a solar assisted absorption cooling system along with electricity generation using Organic Rankine Cycle (ORC) and thermal storage. A control strategy is employed to distribute the heated oil from solar collectors among the above three systems considering the temperature requirements. This modelling provides dynamic performance results using measured meteorological data recorded every minute at the solar facility location. The purpose of this modeling approach is to accurately predict system performance at each time step considering the solar radiation fluctuations due to passing clouds. Optimization of the controller in cold temperatures is another goal of the simulation to for example minimize heat losses in winter when energy demand is high and solar resources are low. The solar absorption cooling is modeled to use the generated heat from the solar trough system and provide cooling in summer for a greenhouse which is located next to the solar field. The results of the simulation are presented for a summer day in Winnipeg which includes comparison of performance parameters of the absorption cooling and ORC systems at different heat transfer fluid (HTF) temperatures.

Keywords: Absorption cooling, parabolic solar trough, remote community, organic Rankine cycle.

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Authors: Giuliano Raimondo, Jörg Wangemann, Peer Drechsel

Abstract:

In systems development involving Fuel Cells generators, it is important to have from an early stage of the project a dynamic model for the electrical behavior of the stack to be shared between involved development parties. It allows independent and early design and tests of fuel cell related power electronic. This paper presents an empirical Fuel Cell system model derived from characterization tests on a real system. Moreover, it is illustrated how the obtained model is used to build and validate a real-time Fuel Cell system emulator which is used for aerospace electrical integration testing activities.

Keywords: Fuel cell dynamics, real time simulation, fuel cell, modelling, testing.

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Authors: Mohamed Yousef, Magdy Samuel, Maha El-Meligy, Taher El-Bitar

Abstract:

The present work is dealing with 2% Si-steel alloy. The alloy contains 0.05% C as well as 0.85% Al. The alloy under investigation would be used for electrical transformation purposes. A heating (expansion) - cooling (contraction) dilation investigation was executed to detect the a, a+g, and g transformation temperatures at the inflection points of the dilation curve. On heating, primary a  was detected at a temperature range between room temperature and 687 ^oC. The domain of a+g was detected in the range between 687 ^oC and 746 ^oC. g phase exists in the closed g region at the range between 746 ^oC and 1043 ^oC. The domain of a phase appears again at a temperature range between 1043 and 1105 ^oC, and followed by secondary a at temperature higher than 1105 ^oC. A physical simulation of thermo-mechanical processing on the as-cast alloy was carried out. The simulation process took into consideration the hot flat rolling pilot plant parameters. The process was executed on the thermo-mechanical simulator (Gleeble 3500). The process was designed to include seven consecutive passes. The 1^st pass represents the roughing stage, while the remaining six passes represent finish rolling stage. The whole process was executed at the temperature range from 1100 ^oC to 900 ^oC. The amount of strain starts with 23.5% at the roughing pass and decreases continuously to reach 7.5 % at the last finishing pass. The flow curve of the alloy can be abstracted from the stress-strain curves representing simulated passes. It shows alloy hardening from a pass to the other up to pass no. 6, as a result of decreasing the deformation temperature and increasing of cumulative strain. After pass no. 6, the deformation process enhances the dynamic recrystallization phenomena to appear, where the z-parameter would be high.

Keywords: Si-steel, hot deformability, critical transformation temperature, physical simulation, thermo-mechanical processing, flow curve, dynamic softening.

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Authors: Saleh S. Hamad Elawgali

Abstract:

Current spectrums of a high power induction machine was calculated for the cases of full symmetry, static and dynamic eccentricity. The calculations involve integration of 93 electrical plus four mechanical ordinary differential equations. Electrical equations account for variable inductances affected by slotting and eccentricities. The calculations were followed by Fourier analysis of the stator currents in steady state operation. The paper presents the stator current spectrums in full symmetry, static and dynamic eccentricity cases, and demonstrates the harmonics present in each case. The effect of dynamic eccentricity is demonstrating via comparing the current spectrums related to dynamic eccentricity cases with the full symmetry one. The paper includes one case study, refers to dynamic eccentricity, to present the spectrum of the measured current and demonstrate the existence of the harmonics related to dynamic eccentricity. The zooms of current spectrums around the main slot harmonic zone are included to simplify the comparison and prove the existence of the dynamic eccentricity harmonics in both calculated and measured current spectrums.

Keywords: Current spectrum, diagnostics, harmonics, Induction machine

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Authors: Qiaozhen Song

Abstract:

Based on the feature of model disturbances and uncertainty being compensated dynamically in auto – disturbances-rejection-controller (ADRC), a new method using ADRC is proposed for the decoupling control of dispenser longitudinal movement in big flight envelope. Developed from nonlinear model directly, ADRC is especially suitable for dynamic model that has big disturbances. Furthermore, without changing the structure and parameters of the controller in big flight envelope, this scheme can simplify the design of flight control system. The simulation results in big flight envelope show that the system achieves high dynamic performance, steady state performance and the controller has strong robustness.

Keywords: ADRC, ESO, nonlinear system

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Authors: Zhu Xiong-feng, Hou Zhong-xi, Guo Zheng, Liu Zhao-Wei

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A method of dynamic mesh based airfoil optimization is proposed according to the drawbacks of surrogate model based airfoil optimization. Programs are designed to achieve the dynamic mesh. Boundary condition is add by integrating commercial software Pointwise, meanwhile the CFD calculation is carried out by commercial software Fluent. The data exchange and communication between the software and programs referred above have been accomplished, and the whole optimization process is performed in iSIGHT platform. A simplified airfoil optimization study case is brought out to show that aerodynamic performances of airfoil have been significantly improved, even save massive repeat operations and increase the robustness and credibility of the optimization result. The case above proclaims that dynamic mesh based airfoil optimization is an effective and high efficient method.

Keywords: unmanned air vehicles, dynamic mesh, airfoil optimization, CFD, genetic algorithm

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Authors: H. Bouadi, M. Tadjine

Abstract:

In this paper; we are interested in dynamic modelling of quadrotor while taking into account the high-order nonholonomic constraints as well as the various physical phenomena, which can influence the dynamics of a flying structure. These permit us to introduce a new state-space representation and new control scheme. We present after the development and the synthesis of a stabilizing control laws design based on sliding mode in order to perform best tracking results. It ensures locally asymptotic stability and desired tracking trajectories. Nonlinear observer is then synthesized in order to estimate the unmeasured states and the effects of the external disturbances such as wind and noise. Finally simulation results are also provided in order to illustrate the performances of the proposed controllers.

Keywords: Dynamic modelling, nonholonomic constraints, sliding mode, nonlinear observer.

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Authors: A. Ito, S. Okamoto

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We constructed an atomic structure model for a PAN-based carbon fiber containing amorphous structures using molecular dynamics methods. It was found that basic physical properties such as crystallinity, Young’s modulus, and thermal conductivity of our model were nearly identical to those of real carbon fibers. We then obtained the tensile strength of a carbon fiber, which has no macro defects. We finally determined that the limitation of the tensile strength was 19 GPa.

Keywords: Amorphous, carbon fiber, molecular dynamics, tensile strength.

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Authors: Eugene Kindler

Abstract:

The present paper is oriented to classification and application of agent technique in simulation of anticipatory systems, namely those that use simulation models for the aid of anticipation. The main ideas root in the fact that the best way for description of computer simulation models is the technique of describing the simulated system itself (and the translation into the computer code is provided as automatic), and that the anticipation itself is often nested.

Keywords: Agents, Anticipatory systems, Discrete eventsimulation, Simula, Taxonomy.

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Authors: Zoltan Theisz, Gergely Mezei

Abstract:

Modern industrial automation relies on service oriented concepts of Internet of Things (IoT) device modeling in order to provide a flexible and extendable environment for service meta-repository. However, state-of-the-art meta-modeling techniques prefer design-time modeling, which results in a heavy usage of class sometimes unnecessary static subtyping. Although this approach benefits from clear-cut object-oriented design principles, it also seals the model repository for further dynamic extensions. In this paper, a dynamic multi-level modeling approach is introduced that enables dynamic subtyping through a more relaxed partial instantiation mechanism. The approach is demonstrated on a simple sensor network example.

Keywords: Meta-modeling, dynamic subtyping, DMLA, industrial automation, arrowhead.

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Authors: Carmen Navarrete, Eloy Anguiano

Abstract:

In the last years, the computers have increased their capacity of calculus and networks, for the interconnection of these machines. The networks have been improved until obtaining the actual high rates of data transferring. The programs that nowadays try to take advantage of these new technologies cannot be written using the traditional techniques of programming, since most of the algorithms were designed for being executed in an only processor,in a nonconcurrent form instead of being executed concurrently ina set of processors working and communicating through a network.This paper aims to present the ongoing development of a new system for the reconfiguration of grouping of computers, taking into account these new technologies.

Keywords: Dynamic network topology, resource and task allocation, parallel computing, heterogeneous computing, dynamic reconfiguration.

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Authors: Jiali Fu

Abstract:

Earthmoving operations are a major part of many construction projects. Because of the complexity and fast-changing environment of such operations, the planning and estimating are crucial on both planning and operational levels. This paper presents the framework ofa microscopic discrete-event simulation system for modeling earthmoving operations and conducting productivity estimations on an operational level.A prototype has been developed to demonstrate the applicability of the proposed framework, and this simulation system is presented via a case study based on an actual earthmoving project. The case study shows that the proposed simulation model is capable of evaluating alternative operating strategies and resource utilization at a very detailed level.

Keywords: Earthmoving operation, microscopic simulation, discrete-event simulation

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Authors: Guohua Cao, Xu Dong

Abstract:

X-ray Fluorescence Molecular Imaging (XFMI) holds great promise as a low-cost molecular imaging modality for biomedical applications with high chemical sensitivity. However, for in vivo biomedical applications, a key technical bottleneck is the relatively low chemical sensitivity of XFMI, especially at a reasonably low radiation dose. In laboratory x-ray source based XFMI, one of the main factors that limits the chemical sensitivity of XFMI is the scattered x-rays. We will present our latest findings on improving the chemical sensitivity of XFMI using excitation beam spectrum optimization. XFMI imaging experiments on two mouse-sized phantoms were conducted at three different excitation beam spectra. Our results show that the minimum detectable concentration (MDC) of iodine can be readily increased by five times via excitation spectrum optimization. Findings from this investigation could find use for in vivo pre-clinical small-animal XFMI in the future.

Keywords: Molecular imaging, X-ray fluorescence, chemical sensitivity, X-ray scattering.

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Authors: Keun Woo Lee, Minky Son, Chanin Park, Ayoung Baek

Abstract:

Certain tRNA synthetases have developed highly accurate molecular machinery to discriminate their cognate amino acids. Those aaRSs achieve their goal via editing reaction in the Connective Polypeptide 1 (CP1). Recently mutagenesis studies have revealed the critical importance of residues in the CP1 domain for editing activity and X-ray structures have shown binding mode of noncognate amino acids in the editing domain. To pursue molecular mechanism for amino acid discrimination, molecular modeling studies were performed. Our results suggest that aaRS bind the noncognate amino acid more tightly than the cognate one. Finally, by comparing binding conformations of the amino acids in three systems, the amino acid binding mode was elucidated and a discrimination mechanism proposed. The results strongly reveal that the conserved threonines are responsible for amino acid discrimination. This is achieved through side chain interactions between T252 and T247/T248 as well as between those threonines and the incoming amino acids.

Keywords: Amino acid discrimination, Binding free energy Leucyl-tRNAsynthetase, Molecular dynamics.

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Authors: R. Ziaie Moayed, M. Alibolandi

Abstract:

Dynamic behavior of soil are evaluated relative to a number of factors including: strain level, density, number of cycles, material type, fine content, geosynthetic inclusion, saturation, and effective stress .This paper investigate the dynamic behavior of saturated reinforced sand under cyclic stress condition. The cyclic triaxial tests are conducted on remolded specimens under various CSR which reinforced by different arrangement of non-woven geotextile. Aforementioned tests simulate field reinforced saturated deposits during earthquake or other cyclic loadings. This analysis revealed that the geotextile arrangement played dominant role on dynamic soil behavior and as geotextile close to top of specimen, the liquefaction resistance increased.

Keywords: Dynamic Behavior, Reinforced Sand, Triaxial Test, Non-woven Geotextile.

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Authors: S. M. Kamruzzaman

Abstract:

In this paper, we propose a dynamic TDMA slot reservation (DTSR) protocol for cognitive radio ad hoc networks. Quality of Service (QoS) guarantee plays a critically important role in such networks. We consider the problem of providing QoS guarantee to users as well as to maintain the most efficient use of scarce bandwidth resources. According to one hop neighboring information and the bandwidth requirement, our proposed protocol dynamically changes the frame length and the transmission schedule. A dynamic frame length expansion and shrinking scheme that controls the excessive increase of unassigned slots has been proposed. This method efficiently utilizes the channel bandwidth by assigning unused slots to new neighboring nodes and increasing the frame length when the number of slots in the frame is insufficient to support the neighboring nodes. It also shrinks the frame length when half of the slots in the frame of a node are empty. An efficient slot reservation protocol not only guarantees successful data transmissions without collisions but also enhance channel spatial reuse to maximize the system throughput. Our proposed scheme, which provides both QoS guarantee and efficient resource utilization, be employed to optimize the channel spatial reuse and maximize the system throughput. Extensive simulation results show that the proposed mechanism achieves desirable performance in multichannel multi-rate cognitive radio ad hoc networks.

Keywords: TDMA, cognitive radio, ad hoc networks, QoSguarantee, dynamic frame length.

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Authors: A. Ghaffari, A. S. Mostafavi

Abstract:

Complex assemblies of interacting proteins carry out most of the interesting jobs in a cell, such as metabolism, DNA synthesis, mitosis and cell division. These physiological properties play out as a subtle molecular dance, choreographed by underlying regulatory networks that control the activities of cyclin-dependent kinases (CDK). The network can be modeled by a set of nonlinear differential equations and its behavior predicted by numerical simulation. In this paper, an innovative approach has been proposed that uses genetic algorithms to mine a set of behavior data output by a biological system in order to determine the kinetic parameters of the system. In our approach, the machine learning method is integrated with the framework of existent biological information in a wiring diagram so that its findings are expressed in a form of system dynamic behavior. By numerical simulations it has been illustrated that the model is consistent with experiments and successfully shown that such application of genetic algorithms will highly improve the performance of mathematical model of the cell division cycle to simulate such a complicated bio-system.

Keywords: Cell cycle, Cyclin-dependent kinase, Fission yeast, Genetic algorithms, Mathematical modeling, Wiring diagram

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Authors: M. Schukat, M.P. Cullen, D. O'Beirne

Abstract:

This paper describes a UDP over IP based, server-oriented redundant host configuration protocol (RHCP) that can be used by collaborating embedded systems in an ad-hoc network to acquire a dynamic IP address. The service is provided by a single network device at a time and will be dynamically reassigned to one of the other network clients if the primary provider fails. The protocol also allows all participating clients to monitor the dynamic makeup of the network over time. So far the algorithm has been implemented and tested on an 8-bit embedded system architecture with a 10Mbit Ethernet interface.

Keywords: Ad-Hoc Networks, Collaborating Embedded Systems, Dynamic Host Configuration, Redundancy.

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Authors: A. R. Tavakolpour-Saleh, A. R. Setoodeh, E. Ansari

Abstract:

This paper presents modeling and control of a highly nonlinear system including, non-interacting two spherical tanks using iterative learning control (ILC). Consequently, the objective of the paper is to control the liquid levels in the nonlinear tanks. First, a proportional-integral-derivative (PID) controller is applied to the plant model as a suitable benchmark for comparison. Then, dynamic responses of the control system corresponding to different step inputs are investigated. It is found that the conventional PID control is not able to fulfill the design criteria such as desired time constant. Consequently, an iterative learning controller is proposed to accurately control the coupled nonlinear tanks system. The simulation results clearly demonstrate the superiority of the presented ILC approach over the conventional PID controller to cope with the nonlinearities presented in the dynamic system.

Keywords: Iterative learning control, spherical tanks, nonlinear system.

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Authors: A. Meeprasert, W. Khuntawee, S. Hannongbua, T. Rungrotmongkol

Abstract:

Viral influenza A subtypes H5N1 and pandemic H1N1 (pH1N1) have worldwide emerged and transmitted. The most common anti-influenza drug for treatment of both seasonal and pandemic influenza viruses is oseltamivir that nowadays becomes resistance to influenza neuraminidase. The novel long-acting drug, laninamivir, was discovered for treatment of the patients infected with influenza B and influenza A viruses. In the present study, laninamivir complexed with wild-type strain of both H5N1 and pH1N1 viruses were comparatively determined the structures and drug-target interactions by means of molecular dynamics (MD) simulations. The results show that the hydrogen bonding interactions formed between laninamivir and its binding residues are likely similar for the two systems. Additionally, the presence of intermolecular interactions from laninamivir to the residues in the binding pocket is established through their side chains in accordance with hydrogen bond interactions.

Keywords: Laninamivir, neuraminidase, H5N1, pandemic H1N1, wild-type, MD simulation

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Authors: Joanna M. Dulińska, Maria Fabijańska

Abstract:

In the paper a detailed analysis of the dynamic response of a cooling tower shell to mining tremors originated from two main regions of mining activity in Poland (Upper Silesian Coal Basin and Legnica-Glogow Copper District) was presented. The representative time histories registered in the both regions were used as ground motion data in calculations of the dynamic response of the structure. It was proved that the dynamic response of the shell is strongly dependent not only on the level of vibration amplitudes but on the dominant frequency range of the mining shock typical for the mining region as well. Also a vertical component of vibrations occurred to have considerable influence on the total dynamic response of the shell. Finally, it turned out that non-uniformity of kinematic excitation resulting from spatial variety of ground motion plays a significant role in dynamic analysis of large-dimensional shells under mining shocks.

Keywords: Cooling towers, dynamic response, mining tremors, non-uniform kinematic excitation

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Authors: Shigeyuki Haruyama, I Made Gatot Karohika, Akinori Sato, Didik Nurhadiyanto, Ken Kaminishi

Abstract:

Contact width and contact stress are important design parameters for optimizing corrugated metal gasket performance based on elastic and plastic contact stress. In this study, we used a three-layer metal gasket with Al, Cu, Ni as the outer layer, respectively. A finite element method was employed to develop simulation solution. The gasket model was simulated by using two simulation stages which are forming and tightening simulation. The simulation result shows that aluminum with tangent modulus, Eh_al = E_al/150 has the highest slope for contact width. The slope of contact width for plastic mode gasket was higher than the elastic mode gasket.

Keywords: Contact width, contact stress, layer, metal gasket, corrugated, simulation.

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Authors: M. S. Merzoug, F. Naceri

Abstract:

This paper presents a comparative study on two most popular control strategies for Permanent Magnet Synchronous Motor (PMSM) drives: field-oriented control (FOC) and direct torque control (DTC). The comparison is based on various criteria including basic control characteristics, dynamic performance, and implementation complexity. The study is done by simulation using the Simulink Power System Blockset that allows a complete representation of the power section (inverter and PMSM) and the control system. The simulation and evaluation of both control strategies are performed using actual parameters of Permanent Magnet Synchronous Motor fed by an IGBT PWM inverter.

Keywords: PMSM, FOC, DTC, hysteresis, PWM.

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Authors: Julija Asmuss, Gunars Lauks, Viktors Zagorskis

Abstract:

We consider the problem of bandwidth allocation in a substrate network as an optimization problem for the aggregate utility of multiple applications with diverse requirements and describe a simulation scheme for dynamically adaptive bandwidth allocation protocols. The proposed simulation model based on Coloured Petri Nets (CPN) is realized using CPN Tools.

Keywords: Bandwidth Allocation Problem, Coloured Petri Nets, CPN Tools, Simulation

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Authors: Bothinah Altaf, Gary Montague, Elaine B. Martin

Abstract:

This study involves the modeling and monitoring of an ammonia synthesis fixed-bed reactor using partial least squares (PLS) and its variants. The process exhibits complex dynamic behavior due to the presence of heat recycling and feed quench. One limitation of static PLS model in this situation is that it does not take account of the process dynamics and hence dynamic PLS was used. Although it showed, superior performance to static PLS in terms of prediction, the monitoring scheme was inappropriate hence adaptive PLS was considered. A limitation of adaptive PLS is that non-conforming observations also contribute to the model, therefore, a new adaptive approach was developed, robust adaptive dynamic PLS. This approach updates a dynamic PLS model and is robust to non-representative data. The developed methodology showed a clear improvement over existing approaches in terms of the modeling of the reactor and the detection of faults.

Keywords: Ammonia synthesis fixed-bed reactor, dynamic partial least squares modeling, recursive partial least squares, robust modeling.

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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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Authors: S. Kulsri, M. Jaroensutasinee, K. Jaroensutasinee

Abstract:

We developed a new method based on quasimolecular modeling to simulate the cavity flow in three cavity shapes: rectangular, half-circular and bucket beer in cgs units. Each quasi-molecule was a group of particles that interacted in a fashion entirely analogous to classical Newtonian molecular interactions. When a cavity flow was simulated, the instantaneous velocity vector fields were obtained by using an inverse distance weighted interpolation method. In all three cavity shapes, fluid motion was rotated counter-clockwise. The velocity vector fields of the three cavity shapes showed a primary vortex located near the upstream corners at time t ~ 0.500 s, t ~ 0.450 s and t ~ 0.350 s, respectively. The configurational kinetic energy of the cavities increased as time increased until the kinetic energy reached a maximum at time t ~ 0.02 s and, then, the kinetic energy decreased as time increased. The rectangular cavity system showed the lowest kinetic energy, while the half-circular cavity system showed the highest kinetic energy. The kinetic energy of rectangular, beer bucket and half-circular cavities fluctuated about stable average values 35.62 x 103, 38.04 x 103 and 40.80 x 103 ergs/particle, respectively. This indicated that the half-circular shapes were the most suitable shape for a shrimp pond because the water in shrimp pond flows best when we compared with rectangular and beer bucket shape.

Keywords: Quasi-molecular modelling, particle modelling, lid driven cavity flow.

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Authors: M. Stewart, Ameer Al-Khaykan, J. M. Counsell

Abstract:

Emissions are a consequence of electricity generation. A major option for low carbon generation, local energy systems featuring Combined Heat and Power with solar PV (CHPV) has significant potential to increase energy performance, increase resilience, and offer greater control of local energy prices while complementing the UK’s emissions standards and targets. Recent advances in dynamic modelling and simulation of buildings and clusters of buildings using the IDEAS framework have successfully validated a novel multi-vector (simultaneous control of both heat and electricity) approach to integrating the wide range of primary and secondary plant typical of local energy systems designs including CHP, solar PV, gas boilers, absorption chillers and thermal energy storage, and associated electrical and hot water networks, all operating under a single unified control strategy. Results from this work indicate through simulation that integrated control of thermal storage can have a pivotal role in optimizing system performance well beyond the present expectations. Environmental impact analysis and reporting of all energy systems including CHPV LES presently employ a static annual average carbon emissions intensity for grid supplied electricity. This paper focuses on establishing and validating CHPV environmental performance against conventional emissions values and assessment benchmarks to analyze emissions performance without and with an active thermal store in a notional group of non-domestic buildings. Results of this analysis are presented and discussed in context of performance validation and quantifying the reduced environmental impact of CHPV systems with active energy storage in comparison with conventional LES designs.

Keywords: CHPV, thermal storage, control, dynamic simulation.

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Authors: Kaan T. Oner, Ertugrul Cetinsoy, Efe Sirimoglu, Cevdet Hancer, Taylan Ayken, Mustafa Unel

Abstract:

We present our ongoing work on the development of a new quadrotor aerial vehicle which has a tilt-wing mechanism. The vehicle is capable of take-off/landing in vertical flight mode (VTOL) and flying over long distances in horizontal flight mode. Full dynamic model of the vehicle is derived using Newton-Euler formulation. Linear and nonlinear controllers for the stabilization of attitude of the vehicle and control of its altitude have been designed and implemented via simulations. In particular, an LQR controller has been shown to be quite effective in the vertical flight mode for all possible yaw angles. A sliding mode controller (SMC) with recursive nature has also been proposed to stabilize the vehicle-s attitude and altitude. Simulation results show that proposed controllers provide satisfactory performance in achieving desired maneuvers.

Keywords: UAV, VTOL, dynamic model, stabilization, LQR, SMC

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Authors: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH₂)₃NAr)}^2-((ηⁿ-Cp)Cp)} (Ar = 2,6-Prⁱ₂C₆H₃)(Cp = C₅H₅ and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions.

The optimised of [V(ArN(CH₂)₃NAr)₂Cl(η⁵-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH₂)₃NAr)₂Cl(η¹-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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