Search results for: Molecular Dynamics

Authors: Ekprasit Promtun, Sridhar Seshagiri

Abstract:

This paper considers the control of the longitudinal flight dynamics of an F-16 aircraft. The primary design objective is model-following of the pitch rate q, which is the preferred system for aircraft approach and landing. Regulation of the aircraft velocity V (or the Mach-hold autopilot) is also considered, but as a secondary objective. The problem is challenging because the system is nonlinear, and also non-affine in the input. A sliding mode controller is designed for the pitch rate, that exploits the modal decomposition of the linearized dynamics into its short-period and phugoid approximations. The inherent robustness of the SMC design provides a convenient way to design controllers without gain scheduling, with a steady-state response that is comparable to that of a conventional polynomial based gain-scheduled approach with integral control, but with improved transient performance. Integral action is introduced in the sliding mode design using the recently developed technique of “conditional integrators", and it is shown that robust regulation is achieved with asymptotically constant exogenous signals, without degrading the transient response. Through extensive simulation on the nonlinear multiple-input multiple-output (MIMO) longitudinal model of the F-16 aircraft, it is shown that the conditional integrator design outperforms the one based on the conventional linear control, without requiring any scheduling.

Keywords: Sliding-mode Control, Integral Control, Model Following, F-16 Longitudinal Dynamics, Pitch-Rate Control.

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Authors: War War Min Swe, Aung Myat Thu, Khin Cho Thet, Zaw Moe Htet, Thuzar Mon

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The main parameter of the orifice hole diameter was designed according to the range of throttle diameter ratio which gave the required discharge coefficient. The discharge coefficient is determined by difference diameter ratios. The value of discharge coefficient is 0.958 occurred at throttle diameter ratio 0.5. The throttle hole diameter is 80 mm. The flow analysis is done numerically using ANSYS 17.0, computational fluid dynamics. The flow velocity was analyzed in the upstream and downstream of the orifice meter. The downstream velocity of non-standard orifice meter is 2.5% greater than that of standard orifice meter. The differential pressure is 515.379 Pa in standard orifice.

Keywords: CFD-CFX, discharge coefficients, flow characteristics, inclined.

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Authors: K. Massila, R. D. Stein, S. M. Suhaizan, A. A. Azlianor

Abstract:

A number of mass spectrometry applications are already available as web-based and windows-based systems to calculate isotope pattern and to display the mass spectrum based on the specific molecular formula besides providing necessary information. These applications were evaluated and compared with our new alternative application called Theoretical Isotope Generator (TIG) in terms of its functionality and features provided to prove this new application is working better and performing well. TIG provides extra features than others, complete with several functionality such as drawing, normalizing and zooming the generated graph that convey with the molecular information in a number of formats by providing the details of the calculation and molecules. Thus, any chemist, students, lecturers and researchers from anywhere could use TIG to gain related information on molecules and their relative intensity.

Keywords: Isotope pattern calculator, mass number, massspectrum, relative intensity.

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Authors: Eda Gök

Abstract:

Peridynamics is a new modeling concept of non-local interactions for solid structures. The formulations of Peridynamic (PD) theory are based on integral equations rather than differential equations. Through, undefined equations of associated problems are avoided. PD theory might be defined as continuum version of molecular dynamics. The medium is usually modeled with mass particles bonded together. Particles interact with each other directly across finite distances through central forces named as bonds. The main assumption of this theory is that the body is composed of material points which interact with other material points within a finite distance. Although, PD theory developed for discontinuities, it gives good results for structures which have no discontinuities. In this paper, displacement control of the isotropic plate under the effect of tensile and bending loading has been investigated by means of PD theory. A MATLAB code is generated to create PD bonds and corresponding surface correction factors. Using generated MATLAB code the geometry of the specimen is generated, and the code is implemented in Finite Element Software. The results obtained from non-local continuum theory are compared with the Finite Element Analysis results and analytical solution. The results show good agreement.

Keywords: Flexural loading, non-local continuum mechanics, Peridynamic theory, solid structures, tensile loading.

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Authors: Young-Seok Choi

Abstract:

We present a refined multiscale Shannon entropy for analyzing electroencephalogram (EEG), which reflects the underlying dynamics of EEG over multiple scales. The rationale behind this method is that neurological signals such as EEG possess distinct dynamics over different spectral modes. To deal with the nonlinear and nonstationary nature of EEG, the recently developed empirical mode decomposition (EMD) is incorporated, allowing a decomposition of EEG into its inherent spectral components, referred to as intrinsic mode functions (IMFs). By calculating the Shannon entropy of IMFs in a time-dependent manner and summing them over adaptive multiple scales, it results in an adaptive subscale entropy measure of EEG. Simulation and experimental results show that the proposed entropy properly reveals the dynamical changes over multiple scales.

Keywords: EEG, subscale entropy, Empirical mode decomposition, Intrinsic mode function.

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Authors: Kholoud A. Al-Shammery , Badr El-Sabah A. Fetoh, Ahmed M. Alshammari

Abstract:

Protein and Esterase electrophoresis were used to genetically identify two Saudi tick species. Engorged females of the camel tick Hyalomma dromedarii (Koch) (Acari: Ixodidae) and the cattle tick Boophilus annulatus (Say) (Acari: Ixodidae) ticks collected from infested camels and cattle in the animals resting house at Hail region in KSA were used. The results showed that there are a variation in both of protein and esterase activity levels and a high polymorphism within and between the genera and species of Hyalomma and Boophilus . In conclusion, the protein and esterase electrophoretic analysis used in the present study could successfully distinguish among tick species, commonly found in Saudi Arabia.

Keywords: Molecular biology, The camel tick Hyalomma dromedarii, The cattle tick Boophilus annulatus , Ticks.

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Authors: Luís Farinha, João J. Ferreira

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Nowadays innovation represents a challenge crucial to remaining globally competitive. This study seeks to develop a conceptual model aimed at measuring the dynamic interactions of the triple/quadruple helix, balancing innovation and entrepreneurship initiatives as pillars of regional competitiveness – the Regional Helix Scoreboard (RHS). To this aim, different strands of literature are identified according to their focus on specific regional competitiveness governance mechanisms. We put forward an overview of the state-of-the-art of research and is duly assessed in order to develop and propose a framework of analysis that enables an integrated approach in the context of collaborative dynamics. We conclude by presenting the RHS for the study of regional competitiveness dynamics, which integrates and associates different backgrounds and identifies a number of key performance indicators for research challenges.

Keywords: Entrepreneurship, KPIs, innovation, performance measurement, regional competitiveness, regional helix scoreboard.

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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: Valeri A. Makarov, Ezequiel Del Rio, Manuel G. Bedia, Manuel G. Velarde, Werner Ebeling

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We proposed the use of a Toda-Rayleigh ring as a central pattern generator (CPG) for controlling hexapodal robots. We show that the ring composed of six Toda-Rayleigh units coupled to the limb actuators reproduces the most common hexapodal gaits. We provide an electrical circuit implementation of the CPG and test our theoretical results obtaining fixed gaits. Then we propose a method of incorporation of the actuator (motor) dynamics in the CPG. With this approach we close the loop CPG – environment – CPG, thus obtaining a decentralized model for the leg control that does not require higher level intervention to the CPG during locomotion in a nonhomogeneous environments. The gaits generated by the novel CPG are not fixed, but adapt to the current robot bahvior.

Keywords: Central pattern generator, electrical circuit, hexapod robot

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Authors: Abhishek Agarwal, Manoj Sarda, Juhi Kaushik, Vatsal Sanjay, Arup Kumar Das

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Propagation of fire through a non-air conditioned railway compartment is studied by virtue of numerical simulations. Simultaneous computational fire dynamics equations, such as Navier-Stokes, lumped species continuity, overall mass and energy conservation, and heat transfer are solved using finite volume based (for radiation) and finite difference based (for all other equations) solver, Fire Dynamics Simulator (FDS). A single coupe with an eight berth occupancy is used to establish the numerical model, followed by the selection of a three coupe system as the fundamental unit of the locomotive compartment. Heat Release Rate Per Unit Area (HRRPUA) of the initial fire is varied to consider a wide range of compartmental fires. Parameters, such as air inlet velocity relative to the locomotive at the windows, the level of interaction with the ambiance and closure of middle berth are studied through a wide range of numerical simulations. Almost all the loss of lives and properties due to fire breakout can be attributed to the direct or indirect exposure to flames or to the inhalation of toxic gases and resultant suffocation due to smoke and soot. Therefore, the temporal stature of fire and smoke are reported for each of the considered cases which can be used in the present or extended form to develop guidelines to be followed in case of a fire breakout.

Keywords: Fire dynamics, flame propagation, locomotive fire, soot flow pattern.

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Authors: Amr A. El Hanafy, Yasir Anwar, Saleh A. Mohamed, Saleh Mohamed Saleh Al-Garni, Jamal S. M. Sabir, Osama A. H. Abu Zinadah, Mohamed Morsi Ahmed

Abstract:

In the vicinity of red sea about 15 fungi species were isolated from oil contaminated sites. On the basis of aptitude to degrade the crude oil and DCPIP assay, two fungal isolates were selected amongst 15 oil degrading strains. Analysis of ITS-1, ITS-2 and amplicon pyrosequencing studies of fungal diversity revealed that these strains belong to Penicillium and Aspergillus species. Two strains that proved to be the most efficient in degrading crude oil was Aspergillus niger (54%) and Penicillium commune (48%) Subsequent to two weeks of cultivation in BHS medium the degradation rate were recorded by using spectrophotometer and GC-MS. Hence, it is cleared that these fungal strains has capability of degradation and can be utilize for cleaning the Saudi Arabian environment.

Keywords: Fungal strains, hydrocarbon contaminants, molecular identification, biodegradation, GC-MS.

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Authors: Lindsay Fink, Sarha Smith-Moyo, Leanne W. Charlesworth

Abstract:

In recent years, the number of individuals experiencing homelessness has increased in the United States. This paper analyzes 2019 data from 16 different emergency shelters in Monroe County, located in Upstate New York. The data were collected through the County’s Homeless Management Information System (HMIS), and individuals were de-identified and de-duplicated for analysis. The purpose of this study is to explore the basic characteristics of the homeless population in Monroe County, and the dynamics of shelter use. The results of this study showed gender as a significant factor when analyzing the relationship between demographic variables and recorded reasons for shelter entry. Results also indicated that age and ethnicity did not significantly influence odds of re-entering a shelter, but did significantly influence reasons for shelter entry. Overall, the most common recorded cause of shelter entry in 2019 in the examined county was eviction by primary tenant. Recommendations to better address recurrent shelter entry and potential chronic homelessness include more consideration for the diversity existing within the homeless population, and the dynamics leading to shelter stays, including enhanced funding and training for shelter staff, as well as expanded access to permanent supportive housing programs.

Keywords: Chronic homelessness, homeless shelter stays, permanent supportive housing, shelter population dynamics.

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Authors: Christopher Deekia Nwimae, Nigel Simms, Liyun Lao

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Erosion in a pipe bends caused by particles is a major concern in the oil and gas fields and might cause breakdown to production equipment. This work investigates the effect of sand particle transport in an elbow using computational fluid dynamics (CFD) approach. Two-way coupled Euler-Lagrange and discrete phase model is employed to calculate the air/solid particle flow in the elbow. Generic erosion model in Ansys fluent and three particle rebound models are used to predict the erosion rate on the 90° elbows. The model result is compared with experimental data from the open literature validating the CFD-based predictions which reveals that due to the sand particles impinging on the wall of the elbow at high velocity, a point on the pipe elbow were observed to have started turning red due to velocity increase and the maximum erosion locations occur at 48°.

Keywords: Erosion, prediction, elbow, computational fluid dynamics, CFD.

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Authors: Dangjun Zhao, Yongji Wang, Lei Liu

Abstract:

Based on general proportional integral (GPI) observers and sliding mode control technique, a robust control method is proposed for the master-slave synchronization of chaotic systems in the presence of parameter uncertainty and with partially measurable output signal. By using GPI observer, the master dynamics are reconstructed by the observations from a measurable output under the differential algebraic framework. Driven by the signals provided by GPI observer, a sliding mode control technique is used for the tracking control and synchronization of the master-slave dynamics. The convincing numerical results reveal the proposed method is effective, and successfully accommodate the system uncertainties, disturbances, and noisy corruptions.

Keywords: GPI observer, sliding mode control, master-slave synchronization, chaotic systems.

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Authors: Esam Jassim

Abstract:

Supersonic nozzles are commonly used to purify natural gas in gas processing technology. As an innovated technology, it is employed to overcome the deficit of the traditional method, related to gas dynamics, thermodynamics and fluid dynamics theory. An indoor test rig is built to study the dehumidification process of moisture fluid. Humid air was chosen for the study. The working fluid was circulating in an open loop, which had provision for filtering, metering, and humidifying. A stainless steel supersonic separator is constructed together with the C-D nozzle system. The result shows that dehumidification enhances as NPR increases. This is due to the high intensity in the turbulence caused by the shock formation in the divergent section. Such disturbance strengthens the centrifugal force, pushing more particles toward the near-wall region. In return return, the pressure recovery factor, defined as the ratio of the outlet static pressure of the fluid to its inlet value, decreases with NPR.

Keywords: Supersonic nozzle, dehumidification, particle separation, geometry.

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Authors: Manop Aorpimai, Ponthep Navakitkanok

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In this paper, the development of the ephemeris generation module used for the Thaichote satellite operations is presented. It is a vital part of the flight dynamics system, which comprises, the orbit determination, orbit propagation, event prediction and station-keeping maneouvre modules. In the generation of the spacecraft ephemeris data, the estimated orbital state vector from the orbit determination module is used as an initial condition. The equations of motion are then integrated forward in time to predict the satellite states. The higher geopotential harmonics, as well as other disturbing forces, are taken into account to resemble the environment in low-earth orbit. Using a highly accurate numerical integrator based on the Burlish-Stoer algorithm the ephemeris data can be generated for long-term predictions, by using a relatively small computation burden and short calculation time. Some events occurring during the prediction course that are related to the mission operations, such as the satellite’s rise/set viewed from the ground station, Earth and Moon eclipses, the drift in groundtrack as well as the drift in the local solar time of the orbital plane are all detected and reported. When combined with other modules to form a flight dynamics system, this application is aimed to be applied for the Thaichote satellite and successive Thailand’s Earth-observation missions. 

Keywords: Flight Dynamics System, Orbit Propagation, Satellite Ephemeris, Thailand’s Earth Observation Satellite.

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Authors: T. M. Ismail, M. Abd El-Salam

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A mathematical model study was carried out to investigate gasification of biomass fuels using high temperature air and steam as a gasifying agent using high-temperature air up to 1000°C. In this study, a 2D computational fluid dynamics model was developed to study the gasification process in an updraft gasifier, considering drying, pyrolysis, combustion, and gasification reactions. The gas and solid phases were resolved using a Euler−Euler multiphase approach, with exchange terms for the momentum, mass, and energy. The standard k−ε turbulence model was used in the gas phase, and the particle phase was modeled using the kinetic theory of granular flow. The results show that the present model giving a promise way in its capability and sensitivity for the parameter affects that influence the gasification process.

Keywords: Computational fluid dynamics, gasification, biomass fuel, fixed bed gasifier

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Authors: Vladimir K. Mukhomorov

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Within the framework of a method of the information theory it is offered statistics and probabilistic model for definition of cause-and-effect relations in the coupled multicomponent subsystems. The quantitative parameter which is defined through conditional and unconditional entropy functions is introduced. The method is applied to the analysis of the experimental data on dynamics of change of the chemical elements composition of plants organs (roots, reproductive organs, leafs and stems). Experiment is directed on studying of temporal processes of primary soil formation and their connection with redistribution dynamics of chemical elements in plant organs. This statistics and probabilistic model allows also quantitatively and unambiguously to specify the directions of the information streams on plant organs.

Keywords: Chemical elements, entropy function, information, plants.

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Authors: Iman Badr

Abstract:

The concept of flexible manufacturing is highly appealing in gaining a competitive edge in the market by quickly adapting to the changing customer needs. Scheduling jobs on flexible manufacturing systems (FMSs) is a challenging task of managing the available flexibility on the shop floor to react to the dynamics of the environment in real-time. In this paper, an agent-oriented scheduling framework that can be integrated with a real or a simulated FMS is proposed. This framework works in stochastic environments with a dynamic model of job arrival. It supports a hierarchical cooperative scheduling that builds on the available flexibility of the shop floor. Testing the framework on a model of a real FMS showed the capability of the proposed approach to overcome the drawbacks of the conventional approaches and maintain a near optimal solution despite the dynamics of the operational environment.

Keywords: Autonomous agents, Flexible manufacturing systems(FMS), Manufacturing scheduling, Real-time systems.

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Authors: Pa Pa Lin

Abstract:

This research work is concerned with the eigenvalue problem for the integral operators which are obtained by linearization of a nonlocal evolution equation. The purpose of section II.A is to describe the nature of the problem and the objective of the project. The problem is related to the “stable solution" of the evolution equation which is the so-called “instanton" that describe the interface between two stable phases. The analysis of the instanton and its asymptotic behavior are described in section II.C by imposing the Green function and making use of a probability kernel. As a result , a classical Theorem which is important for an instanton is proved. Section III devoted to a study of the integral operators related to interface dynamics which concern the analysis of the Cauchy problem for the evolution equation with initial data close to different phases and different regions of space.

Keywords: Evolution, Green function, instanton, integral operators.

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Authors: J. C. Moctezuma, V. Breña-Medina, Jose Luis Nunez-Yanez, Joseph P. McGeehan

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In this work we make a bifurcation analysis for a single compartment representation of Traub model, one of the most important conductance-based models. The analysis focus in two principal parameters: current and leakage conductance. Study of stable and unstable solutions are explored; also Hop-bifurcation and frequency interpretation when current varies is examined. This study allows having control of neuron dynamics and neuron response when these parameters change. Analysis like this is particularly important for several applications such as: tuning parameters in learning process, neuron excitability tests, measure bursting properties of the neuron, etc. Finally, a hardware implementation results were developed to corroborate these results.

Keywords: Traub model, Pinsky-Rinzel model, Hopf bifurcation, single-compartment models, Bifurcation analysis, neuron modeling.

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Authors: Nam-Seok Kim, Sang-Kyu Lee, Byung-Soo Shin, O-Hyun Keum

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The present paper represents a methodology for investigating flow characteristics near orifice plate by using a commercial computational fluid dynamics code. The flow characteristics near orifice plate which is located in the auxiliary feedwater system were modeled via three different levels of grid and four different types of Reynolds Averaged Navier-Stokes (RANS) equations with proper near-wall treatment. The results from CFD code were compared with experimental data in terms of differential pressure through the orifice plate. In this preliminary study, the Realizable k-ε and the Reynolds stress models with enhanced wall treatment were suitable to analyze flow characteristics near orifice plate, and the results had a good agreement with experimental data.

Keywords: Auxiliary Feedwater, Computational Fluid Dynamics, Orifice, Nuclear Power Plant

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Authors: Prakash Persad, Kelvin Loutan, Jr., Trichelle Seepersad

Abstract:

The Finite Element Method is commonly used in the analysis of flexible manipulators to predict elastic displacements and develop joint control schemes for reducing positioning error. In order to preserve simplicity, regular geometries, ideal joints and connections are assumed. This paper presents the dynamic FE analysis of a 4- degrees of freedom open chain manipulator, intended for striking a curved 3D surface percussion musical instrument. This was done utilizing the new MultiBody Dynamics Module in COMSOL, capable of modeling the elastic behavior of a body undergoing rigid body type motion.

Keywords: Dynamic modeling, Entertainment robots, Finite element method, Flexible robot manipulators, Multibody dynamics, Musical robots.

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Authors: Sahba Sadir, M. R. A. Kadir, A. Öchsner, M. N. Harun

Abstract:

Scaffolds play a key role in tissue engineering and can be produced in many different ways depending on the applications and the materials used. Most researchers used an experimental trialand- error approach into new biomaterials but computer simulation applied to tissue engineering can offer a more exhaustive approach to test and screen out biomaterials. This paper develops the model of scaffolds and Computational Fluid Dynamics that show the value of computer simulations in determining the influence of the geometrical scaffold parameter porosity, pore size and shape on the permeability of scaffolds, magnitude of velocity, drop pressure, shear stress distribution and level and the proper design of the geometry of the scaffold. This creates a need for more advanced studies that include aspects of dynamic conditions of a micro fluid passing through the scaffold were characterized for tissue engineering applications and differentiation of tissues within scaffolds.

Keywords: Scaffold engineering, Tissue engineering, Cellularstructure, Biomaterial, Computational fluid dynamics.

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Authors: Amrita Tripathi, Neeru Adlakha

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Calcium [Ca2+] dynamics is studied as a potential form of neuron excitability that can control many irregular processes like metabolism, secretion etc. Ca2+ ion enters presynaptic terminal and increases the synaptic strength and thus triggers the neurotransmitter release. The modeling and analysis of calcium dynamics in neuron cell becomes necessary for deeper understanding of the processes involved. A mathematical model has been developed for cylindrical shaped neuron cell by incorporating physiological parameters like buffer, diffusion coefficient, and association rate. Appropriate initial and boundary conditions have been framed. The closed form solution has been developed in terms of modified Bessel function. A computer program has been developed in MATLAB 7.11 for the whole approach.

Keywords: Laplace Transform, Modified Bessel function, reaction diffusion equation, diffusion coefficient, excess buffer, calcium influx

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Authors: Po-Wen Chen, Jin-Yu Wu, Md. Manirul Ali, Yang Peng, Chen-Te Chang, Der-Jun Jan

Abstract:

Dynamics of cathode spot has become a major part of vacuum arc discharge with its high academic interest and wide application potential. In this article, using a three-dimensional statistical model, we simulate the distribution of the ignition probability of a new cathode spot occurring in different magnetic pressure on old cathode spot surface and at different arcing time. This model for the ignition probability of a new cathode spot was proposed in two typical situations, one by the pure isotropic random walk in the absence of an external magnetic field, other by the retrograde motion in external magnetic field, in parallel with the cathode surface. We mainly focus on developed relationship between the ignition probability density distribution of a new cathode spot and the external magnetic field.

Keywords: Cathode spot, vacuum arc discharge, transverse magnetic field, random walk.

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Authors: Keyvan Shahgholian, Hamid Hajihosseini

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The significance of environmental protection is wellknown in today's world. The execution of any program depends on sufficient knowledge and required familiarity with environment and its pollutants. Taking advantage of a systematic method, as a new science, in environmental planning can solve many problems. In this article, air pollution in Tehran and its relationship with health and population growth have been analyzed using dynamic systems. Firstly, by using casual loops, the relationship between the parameters effective on air pollution in Tehran were taken into consideration, then these casual loops were turned into flow diagrams [6], and finally, they were simulated using the software Vensim [16]in order to conclude what the effect of each parameter will be on air pollution in Tehran in the next 10 years, how changing of one or more parameters influences other parameters, and which parameter among all other parameters requires to be controlled more.

Keywords: Air pollutions, Simulation, System Dynamics, Tehran, Vensim.

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Authors: Weixin Qian, Haitao Zhang, Hongfang Ma, Yongdi Liu, Weiyong Ying, Dingye Fang

Abstract:

The adsorption properties of CO and H2 on iron-based catalyst with addition of Zr and Ni were investigated using temperature programmed desorption process. It was found that on the carburized iron-based catalysts, molecular state and dissociative state CO existed together. The addition of Zr was preferential for the molecular state adsorption of CO on iron-based catalyst and the presence of Ni was beneficial to the dissociative adsorption of CO. On H2 reduced catalysts, hydrogen mainly adsorbs on the surface iron sites and surface oxide sites. On CO reduced catalysts, hydrogen probably existed as the most stable CH and OH species. The addition of Zr was not benefit to the dissociative adsorption of hydrogen on iron-based catalyst and the presence of Ni was preferential for the dissociative adsorption of hydrogen.

Keywords: adsorption, Fischer-Tropsch synthesis, iron-based catalysts

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Authors: Raied Salman, Nazar Younis

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In a none-super-competitive environment the concepts of closed system, management control remains to be the dominant guiding concept to management. The merits of closed loop have been the sources of most of the management literature and culture for many decades. It is a useful exercise to investigate and poke into the dynamics of the control loop phenomenon and draws some lessons to use for refining the practice of management. This paper examines the multitude of lessons abstracted from the behavior of the Input /output /feedback control loop model, which is the core of control theory. There are numerous lessons that can be learned from the insights this model would provide and how it parallels the management dynamics of the organization. It is assumed that an organization is basically a living system that interacts with the internal and external variables. A viable control loop is the one that reacts to the variation in the environment and provide or exert a corrective action. In managing organizations this is reflected in organizational structure and management control practices. This paper will report findings that were a result of examining several abstract scenarios that are exhibited in the design, operation, and dynamics of the control loop and how they are projected on the functioning of the organization. Valuable lessons are drawn in trying to find parallels and new paradigms, and how the control theory science is reflected in the design of the organizational structure and management practices. The paper is structured in a logical and perceptive format. Further research is needed to extend these findings.

Keywords: Management theory, control theory, feed back, input/output, strategy, change, information technology, informationsystems, IS, organizational environment, organizations, opensystems, closed systems.

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Authors: Joseph E. Estevez, Mahdi Ghazizadeh, James G. Ryan, Ajit D. Kelkar

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Radiation shielding is an obstacle in long duration space exploration. Boron Nitride Nanotubes (BNNTs) have attracted attention as an additive to radiation shielding material due to B¹⁰’s large neutron capture cross section. The B¹⁰ has an effective neutron capture cross section suitable for low energy neutrons ranging from 10^-5 to 10⁴ eV and hydrogen is effective at slowing down high energy neutrons. Hydrogenated BNNTs are potentially an ideal nanofiller for radiation shielding composites. We use Molecular Dynamics (MD) Simulation via Material Studios Accelrys 6.0 to model the Young’s Modulus of Hydrogenated BNNTs. An extrapolation technique was employed to determine the Young’s Modulus due to the deformation of the nanostructure at its theoretical density. A linear regression was used to extrapolate the data to the theoretical density of 2.62g/cm³. Simulation data shows that the hydrogenated BNNTs will experience a 11% decrease in the Young’s Modulus for (6,6) BNNTs and 8.5% decrease for (8,8) BNNTs compared to non-hydrogenated BNNT’s. Hydrogenated BNNTs are a viable option as a nanofiller for radiation shielding nanocomposite materials for long range and long duration space exploration.

Keywords: Boron Nitride Nanotube, Radiation Shielding, Young Modulus, Atomistic Modeling.

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