Search results for: molecular beam epitaxy

Authors: Eugene Grichuk, Margarita Kuzmina, Eduard Manykin

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A network of coupled stochastic oscillators is proposed for modeling of a cluster of entangled qubits that is exploited as a computation resource in one-way quantum computation schemes. A qubit model has been designed as a stochastic oscillator formed by a pair of coupled limit cycle oscillators with chaotically modulated limit cycle radii and frequencies. The qubit simulates the behavior of electric field of polarized light beam and adequately imitates the states of two-level quantum system. A cluster of entangled qubits can be associated with a beam of polarized light, light polarization degree being directly related to cluster entanglement degree. Oscillatory network, imitating qubit cluster, is designed, and system of equations for network dynamics has been written. The constructions of one-qubit gates are suggested. Changing of cluster entanglement degree caused by measurements can be exactly calculated.

Keywords: network of stochastic oscillators, one-way quantumcomputations, a beam of polarized light.

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Authors: M. R. Naghavi, M. Maleki, S. F. Tabatabaei

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In order to study floristic and molecular classification of common wild wheat (Triticum boeoticum Boiss.), an analysis was conducted on populations of the Triticum boeoticum collected from different regions of Iran. Considering all floristic compositions of habitats, six floristic groups (syntaxa) within the populations were identified. A high level of variation of T. boeoticum also detected using SSR markers. Our results showed that molecular method confirmed the grouping of floristic method. In other word, the results from our study indicate that floristic classification are still useful, efficient, and economic tools for characterizing the amount and distribution of genetic variation in natural populations of T. boeoticum. Nevertheless, molecular markers appear as useful and complementary techniques for identification and for evaluation of genetic diversity in studied populations.

Keywords: T. boeoticum, diversity, floristic, SSRs.

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Authors: H. Ozbasaran

Abstract:

Lateral torsional buckling is a global buckling mode which should be considered in design of slender structural members under flexure about their strong axis. It is possible to compute the load which causes lateral torsional buckling of a beam by finite element analysis, however, closed form equations are needed in engineering practice for calculation ease which can be obtained by using energy method. In lateral torsional buckling applications of energy method, a proper function for the critical lateral torsional buckling mode should be chosen which can be thought as the variation of twisting angle along the buckled beam. Accuracy of the results depends on how close is the chosen function to the exact mode. Since critical lateral torsional buckling mode of the cantilever I-beams varies due to material properties, section properties and loading case, the hardest step is to determine a proper mode function in application of energy method. This paper presents an approximate function for critical lateral torsional buckling mode of doubly symmetric cantilever I-beams. Coefficient matrices are calculated for concentrated load at free end, uniformly distributed load and constant moment along the beam cases. Critical lateral torsional buckling modes obtained by presented function and exact solutions are compared. It is found that the modes obtained by presented function coincide with differential equation solutions for considered loading cases.

Keywords: Buckling mode, cantilever, lateral-torsional buckling, I-beam.

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Authors: Efendi Zaenudin, Chien-Hung Huang, Ka-Lok Ng

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Essential genes play an important role in the survival of an organism. It has been shown that cancer-associated essential genes are genes necessary for cancer cell proliferation, where these genes are potential therapeutic targets. Also, it was demonstrated that mutations of the cancer-associated essential genes give rise to the resistance of immunotherapy for patients with tumors. In the present study, we focus on studying the biological effects of the essential genes from a network perspective. We hypothesize that one can analyze a biological molecular network by decomposing it into both three-node and four-node digraphs (subgraphs). These network subgraphs encode the regulatory interaction information among the network’s genetic elements. In this study, the frequency of occurrence of the subgraph-associated essential genes in a molecular network was quantified by using the statistical parameter, odds ratio. Biological effects of subgraph-associated essential genes are discussed. In summary, the subgraph approach provides a systematic method for analyzing molecular networks and it can capture useful biological information for biomedical research.

Keywords: Biological molecular networks, essential genes, graph theory, network subgraphs.

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Authors: K. Prajindra Sankar, S.K. Tiong, S.P. Johnny Koh

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This paper presents a tested research concept that implements a complex evolutionary algorithm, genetic algorithm (GA), in a multi-microcontroller environment. Parallel Distributed Genetic Algorithm (PDGA) is employed in adaptive beam forming technique to reduce power usage of adaptive antenna at WCDMA base station. Adaptive antenna has dynamic beam that requires more advanced beam forming algorithm such as genetic algorithm which requires heavy computation and memory space. Microcontrollers are low resource platforms that are normally not associated with GAs, which are typically resource intensive. The aim of this project was to design a cooperative multiprocessor system by expanding the role of small scale PIC microcontrollers to optimize WCDMA base station transmitter power. Implementation results have shown that PDGA multi-microcontroller system returned optimal transmitted power compared to conventional GA.

Keywords: Microcontroller, Genetic Algorithm, Adaptiveantenna, Power optimization.

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Authors: Stephen Akinlabi, Mukul Shukla, Esther Akinlabi, Marwala Tshilidzi

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This paper reports the evolving properties of a 3 mm low carbon steel plate after Laser Beam Forming achieve this objective, the chemical analyse material and the formed components were carried thereafter both were characterized through microhardness profiling microstructural evaluation and tensile testing. showed an increase in the elemental concentration of the component when compared to the as received attributed to the enhancement property of the LBF process Ultimate Tensile Strength (UTS) and the Vickers the formed component shows an increase when compared to the as received material, this was attributed to strain hardening and grain refinement brought about by the LBF process. The microstructure of the as received steel consists of equiaxed ferrit that of the formed component exhibits elongated orming process (LBF). To es of the as received out and compared; profiling, The chemical analyses formed material; this can be process. The microhardness of ferrite and pearlite while grains.

Keywords: Laser beam forming, deformation , deformation, elongated grains

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Authors: Anton A. Bykov, Irina O. Glot, Igor N. Shardakov, Alexey P. Shestakov

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This paper presents the results of experimental and theoretical investigations of the mechanisms of crack formation in reinforced concrete beams subjected to quasi-static bending. The boundary-value problem has been formulated in the framework of brittle fracture mechanics and has been solved by using the finite-element method. Numerical simulation of the vibrations of an uncracked beam and a beam with cracks of different size serves to determine the pattern of changes in the spectrum of eigenfrequencies observed during crack evolution. Experiments were performed on the sequential quasistatic four-point bending of the beam leading to the formation of cracks in concrete. At each loading stage, the beam was subjected to an impulse load to induce vibrations. Two stages of cracking were detected. At the first stage the conservative process of deformation is realized. The second stage is an active cracking, which is marked by a sharp change in eingenfrequencies. The boundary of a transition from one stage to another is well registered. The vibration behavior was examined for the beams strengthened by carbon-fiber sheet before loading and at the intermediate stage of loading after the grouting of initial cracks. The obtained results show that the vibrodiagnostic approach is an effective tool for monitoring of cracking and for assessing the quality of measures aimed at strengthening concrete structures.

Keywords: Crack formation. experiment. mathematical modeling. reinforced concrete. vibrodiagnostics.

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Authors: Gabriela R. Fernandes, Renato F. Denadai, Guido J. Denipotti

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In this work, are discussed two formulations of the boundary element method - BEM to perform linear bending analysis of plates reinforced by beams. Both formulations are based on the Kirchhoff's hypothesis and they are obtained from the reciprocity theorem applied to zoned plates, where each sub-region defines a beam or a slab. In the first model the problem values are defined along the interfaces and the external boundary. Then, in order to reduce the number of degrees of freedom kinematics hypothesis are assumed along the beam cross section, leading to a second formulation where the collocation points are defined along the beam skeleton, instead of being placed on interfaces. On these formulations no approximation of the generalized forces along the interface is required. Moreover, compatibility and equilibrium conditions along the interface are automatically imposed by the integral equation. Thus, these formulations require less approximation and the total number of the degree s of freedom is reduced. In the numerical examples are discussed the differences between these two BEM formulations, comparing as well the results to a well-known finite element code.

Keywords: Boundary elements, Building floor structures, Platebending.

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Authors: I-Ling Chang, Jer-An Chen

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The elastic properties and fracture of two-dimensional graphene were calculated purely from the atomic bonding (stretching and bending) based on molecular mechanics method. Considering the representative unit cell of graphene under various loading conditions, the deformations of carbon bonds and the variations of the interlayer distance could be realized numerically under the geometry constraints and minimum energy assumption. In elastic region, it was found that graphene was in-plane isotropic. Meanwhile, the in-plane deformation of the representative unit cell is not uniform along armchair direction due to the discrete and non-uniform distributions of the atoms. The fracture of graphene could be predicted using fracture criteria based on the critical bond length, over which the bond would break. It was noticed that the fracture behavior were directional dependent, which was consistent with molecular dynamics simulation results.

Keywords: Energy minimization, fracture, graphene, molecular mechanics.

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Authors: M. D. Stelescu, E. Manaila, G. Craciun, D. Ighigeanu

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The goal of the paper is to present the results regarding the influence of the irradiation dose and amount of multifunctional monomer trimethylol-propane trimethacrylate (TMPT) on ethylene-propylene-diene terpolymer rubber (EPDM) mixtures irradiated in electron beam. Blends, molded on an electrically heated laboratory roller mill and compressed in an electrically heated hydraulic press, were irradiated using the ALID 7 of 5.5 MeV linear accelerator in the dose range of 22.6 kGy to 56.5 kGy in atmospheric conditions and at room temperature of 25 °C. The share of cross-linking and degradation reactions was evaluated by means of sol-gel analysis, cross-linking density measurements, FTIR studies and Charlesby-Pinner parameter (p₀/q₀) calculations. The blends containing different concentrations of TMPT (3 phr and 9 phr) and irradiated with doses in the mentioned range have present the increasing of gel content and cross-linking density. Modified and new bands in FTIR spectra have appeared, because of both cross-linking and chain scission reactions.

Keywords: Electron beam irradiation, EPDM rubber, crosslinking density, gel fraction.

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Authors: O. Vlcek

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The paper deals with current issues in research of advanced methods to increase reliability of traditional timber structural elements. It analyses the issue of strengthening of bent timber beams, such as ceiling beams in old (historical) buildings with additional concrete slab in combination with externally bonded fibre - reinforced polymer. The paper describes experimental testing of composite timber-concrete beam with FRP reinforcement and compares results with FEM analysis.

Keywords: Timber-concrete composite, strengthening, fibre-reinforced polymer, experimental analysis.

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Authors: Yeong-Hwa Chang, Chia-Wen Chang, Hung-Wei Lin, C.W. Tao

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In this paper, an improved ant colony optimization (ACO) algorithm is proposed to enhance the performance of global optimum search. The strategy of the proposed algorithm has the capability of fuzzy pheromone updating, adaptive parameter tuning, and mechanism resetting. The proposed method is utilized to tune the parameters of the fuzzy controller for a real beam and ball system. Simulation and experimental results indicate that better performance can be achieved compared to the conventional ACO algorithms in the aspect of convergence speed and accuracy.

Keywords: Ant colony algorithm, Fuzzy control, ball and beamsystem

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Authors: Woo Young Jung, Min Ho Kwon, Bu Seog Ju

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The primary objective of this research is to improve the flexural capacity of FRP strengthened RC Beam structures with Aluminum and Titanium laminates. FRP rupture of flexural strengthened RC beams using FRP plates generally occurs at the interface between FRP plate and the beam. Therefore, in order to prevent brittle rupture and improve the ductility of the system, this research was performed by using Aluminum and Titanium materials between the two different structural systems. The research also aims to provide various strengthening/retrofitting methods for RC beam structures and to conduct a preliminary analysis of the demands on the structural systems. This was achieved by estimation using the experimental data from this research to identify a flexural capacity for the systems. Ultimately, the preliminary analysis of current study showed that the flexural capacity and system demand ductility was significantly improved by the systems inserted with Aluminum and Titanium anchor plates. Further verification of the experimental research is currently on its way to develop a new or reliable design guideline to retrofit/strengthen the concrete-FRP structural system can be evaluated.

Keywords: Reinforced Concrete, FRP Laminate, Flexural Capacity, Ductility.

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Authors: Ross Jeffry, Muhammad N. S. Hadi

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High strength concrete (HSC) provides high strength but lower ductility than normal strength concrete. This low ductility limits the benefit of using HSC in building safe structures. On the other hand, when designing reinforced concrete beams, designers have to limit the amount of tensile reinforcement to prevent the brittle failure of concrete. Therefore the full potential of the use of steel reinforcement can not be achieved. This paper presents the idea of confining concrete in the compression zone so that the HSC will be in a state of triaxial compression, which leads to improvements in strength and ductility. Five beams made of HSC were cast and tested. The cross section of the beams was 200×300 mm, with a length of 4 m and a clear span of 3.6 m subjected to four-point loading, with emphasis placed on the midspan deflection. The first beam served as a reference beam. The remaining beams had different tensile reinforcement and the confinement shapes were changed to gauge their effectiveness in improving the strength and ductility of the beams. The compressive strength of the concrete was 85 MPa and the tensile strength of the steel was 500 MPa and for the stirrups and helixes was 250 MPa. Results of testing the five beams proved that placing helixes with different diameters as a variable parameter in the compression zone of reinforced concrete beams improve their strength and ductility.

Keywords: Confinement, ductility, high strength concrete, reinforced concrete beam.

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Authors: T.C. Manjunath, B. Bandyopadhyay

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This paper features the proposed modeling and design of a Robust Decentralized Periodic Output Feedback (RDPOF) control technique for the active vibration control of smart flexible multimodel Euler-Bernoulli cantilever beams for a multivariable (MIMO) case by retaining the first 6 vibratory modes. The beam structure is modeled in state space form using the concept of piezoelectric theory, the Euler-Bernoulli beam theory and the Finite Element Method (FEM) technique by dividing the beam into 4 finite elements and placing the piezoelectric sensor / actuator at two finite element locations (positions 2 and 4) as collocated pairs, i.e., as surface mounted sensor / actuator, thus giving rise to a multivariable model of the smart structure plant with two inputs and two outputs. Five such multivariable models are obtained by varying the dimensions (aspect ratios) of the aluminum beam, thus giving rise to a multimodel of the smart structure system. Using model order reduction technique, the reduced order model of the higher order system is obtained based on dominant eigen value retention and the method of Davison. RDPOF controllers are designed for the above 5 multivariable-multimodel plant. The closed loop responses with the RDPOF feedback gain and the magnitudes of the control input are observed and the performance of the proposed multimodel smart structure system with the controller is evaluated for vibration control.

Keywords: Smart structure, Euler-Bernoulli beam theory, Periodic output feedback control, Finite Element Method, State space model, SISO, Embedded sensors and actuators, Vibration control, Reduced order model

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Authors: K. Arunachalam, P. Mannar Jawahar

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This paper deals with design of walking beam pendel axle suspension system. This axles and suspension systems are mainly required for transportation of heavy duty and Over Dimension Consignment (ODC) cargo, which is exceeding legal limit in terms of length, width and height. Presently, in Indian transportation industry, ODC movement growth rate has increased in transportation of bridge sections (pre-cast beams), transformers, heavy machineries, boilers, gas turbines, windmill blades etc. However, current Indian standard road transport vehicles are facing lot of service and maintenance issues due to non availability of suitable axle and suspension to carry the ODC cargoes. This in turn will lead to increased number of road accidents, bridge collapse and delayed deliveries, which finally result in higher operating cost. Understanding these requirements, this work was carried out. These axles and suspensions are designed for optimum self – weight with maximum payload carrying capacity with better road stability.

Keywords: Heavy duty trailer, Off–highway trucks, Over dimension cargo, Walking beam pendel axle suspension.

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Authors: Suvradip Mullick, Yuvraj K. Madhukar, Subhranshu Roy, Ashish K. Nath

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We present the development of a new underwater laser cutting process in which a water-jet has been used along with the laser beam to remove the molten material through kerf. The conventional underwater laser cutting usually utilizes a high pressure gas jet along with laser beam to create a dry condition in the cutting zone and also to eject out the molten material. This causes a lot of gas bubbles and turbulence in water, and produces aerosols and waste gas. This may cause contamination in the surrounding atmosphere while cutting radioactive components like burnt nuclear fuel. The water-jet assisted underwater laser cutting process produces much less turbulence and aerosols in the atmosphere. Some amount of water vapor bubbles is formed at the laser-metal-water interface; however, they tend to condense as they rise up through the surrounding water. We present the design and development of a water-jet assisted underwater laser cutting head and the parametric study of the cutting of AISI 304 stainless steel sheets with a 2 kW CW fiber laser. The cutting performance is similar to that of the gas assist laser cutting; however, the process efficiency is reduced due to heat convection by water-jet and laser beam scattering by vapor. This process may be attractive for underwater cutting of nuclear reactor components.

Keywords: Laser, underwater cutting, water-jet.

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Authors: Zhao Jing, Bai Yongqing, Shi Qiaofang, Zang Yang, Zhang Huaihao

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Advances in software technology enable the computational chemistry to be commonly applied in various research fields, especially in pedagogy. Thus, in order to expand and improve experimental instructions of computational chemistry for undergraduates, we designed an introductory experiment—research on acrylamide molecular structure and physicochemical properties. Initially, students construct molecular models of acrylamide and polyacrylamide in Gaussian and Materials Studio software respectively. Then, the infrared spectral data, atomic charge and molecular orbitals of acrylamide as well as solvation effect of polyacrylamide are calculated to predict their physicochemical performance. At last, rheological experiments are used to validate these predictions. Through the combination of molecular simulation (performed on Gaussian, Materials Studio) with experimental verification (rheology experiment), learners have deeply comprehended the chemical nature of acrylamide and polyacrylamide, achieving good learning outcomes.

Keywords: Upper-division undergraduate, computer-based learning, laboratory instruction, amides, molecular modeling, spectroscopy.

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Authors: Yanping Liao, Zenan Wu, Ruigang Zhao

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Frequency diverse array (FDA) beamforming is a technology developed in recent years, and its antenna pattern has a unique angle-distance-dependent characteristic. However, the beam is always required to have strong concentration, high resolution and low sidelobe level to form the point-to-point interference in the concentrated set. In order to eliminate the angle-distance coupling of the traditional FDA and to make the beam energy more concentrated, this paper adopts a multi-carrier FDA structure based on proposed power exponential frequency offset to improve the array structure and frequency offset of the traditional FDA. The simulation results show that the beam pattern of the array can form a dot-shape beam with more concentrated energy, and its resolution and sidelobe level performance are improved. However, the covariance matrix of the signal in the traditional adaptive beamforming algorithm is estimated by the finite-time snapshot data. When the number of snapshots is limited, the algorithm has an underestimation problem, which leads to the estimation error of the covariance matrix to cause beam distortion, so that the output pattern cannot form a dot-shape beam. And it also has main lobe deviation and high sidelobe level problems in the case of limited snapshot. Aiming at these problems, an adaptive beamforming technique based on exponential correction for multi-carrier FDA is proposed to improve beamforming robustness. The steps are as follows: first, the beamforming of the multi-carrier FDA is formed under linear constrained minimum variance (LCMV) criteria. Then the eigenvalue decomposition of the covariance matrix is ​​performed to obtain the diagonal matrix composed of the interference subspace, the noise subspace and the corresponding eigenvalues. Finally, the correction index is introduced to exponentially correct the small eigenvalues ​​of the noise subspace, improve the divergence of small eigenvalues ​​in the noise subspace, and improve the performance of beamforming. The theoretical analysis and simulation results show that the proposed algorithm can make the multi-carrier FDA form a dot-shape beam at limited snapshots, reduce the sidelobe level, improve the robustness of beamforming, and have better performance.

Keywords: Multi-carrier frequency diverse array, adaptive beamforming, correction index, limited snapshot, robust.

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Authors: Abdulmajeed Dabwan, Saqib Anwar, Ali Al-Samhan

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Electron Beam Melting (EBM) is a metal powder bed-based Additive Manufacturing (AM) technology, which uses computer-controlled electron beams to create fully dense three-dimensional near-net-shaped parts from metal powder. It gives the ability to produce any complex parts directly from a computer-aided design (CAD) model without tools and dies, and with a variety of materials. However, the quality of the surface finish in EBM process has limitations to meeting the performance requirements of additively manufactured components. The aim of this study is to investigate the cutting forces induced during milling Ti6Al4V produced by EBM as well as the surface quality of the milled surfaces. The effects of cutting speed and radial depth of cut on the cutting forces, surface roughness, and surface morphology were investigated. The results indicated that the cutting speed was found to be proportional to the resultant cutting force at any cutting conditions while the surface roughness improved significantly with the increase in cutting speed and radial depth of cut.

Keywords: Electron beam melting, additive manufacturing, Ti6Al4V, surface morphology.

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Authors: A. Ito, S. Okamoto

Abstract:

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: Kapse Swapnil, K. Shankar

Abstract:

Aiming at optimizing the weight and deflection of cantilever beam subjected to maximum stress and maximum deflection, Multi-objective Particle Swarm Optimization (MOPSO) with Utopia Point based local search is implemented. Utopia point is used to govern the search towards the Pareto Optimal set. The elite candidates obtained during the iterations are stored in an archive according to non-dominated sorting and also the archive is truncated based on least crowding distance. Local search is also performed on elite candidates and the most diverse particle is selected as the global best. This method is implemented on standard test functions and it is observed that the improved algorithm gives better convergence and diversity as compared to NSGA-II in fewer iterations. Implementation on practical structural problem shows that in 5 to 6 iterations, the improved algorithm converges with better diversity as evident by the improvement of cantilever beam on an average of 0.78% and 9.28% in the weight and deflection respectively compared to NSGA-II.

Keywords: Utopia point, multi-objective particle swarm optimization, local search, cantilever beam.

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

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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: G. Akgun, I. Algul, H. Kurtaran

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In this paper geometrically nonlinear static behavior of laminated composite hollow super-elliptic beams is investigated using generalized differential quadrature method. Super-elliptic beam can have both oval and elliptic cross-sections by adjusting parameters in super-ellipse formulation (also known as Lamé curves). Equilibrium equations of super-elliptic beam are obtained using the virtual work principle. Geometric nonlinearity is taken into account using von-Kármán nonlinear strain-displacement relations. Spatial derivatives in strains are expressed with the generalized differential quadrature method. Transverse shear effect is considered through the first-order shear deformation theory. Static equilibrium equations are solved using Newton-Raphson method. Several composite super-elliptic beam problems are solved with the proposed method. Effects of layer orientations of composite material, boundary conditions, ovality and ellipticity on bending behavior are investigated.

Keywords: Generalized differential quadrature, geometric nonlinearity, laminated composite, super-elliptic cross-section.

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Authors: J. Fei

Abstract:

This paper presents the adaptive control scheme with sliding mode compensator for vibration control problem in the presence of disturbance. The dynamic model of the flexible cantilever beam using finite element modeling is derived. The adaptive control with sliding mode compensator using output feedback for output tracking is developed to reject the external disturbance, and to improve the tracking performance. Satisfactory simulation results verify that the effectiveness of adaptive control scheme with sliding mode compensator.

Keywords: finite element model, adaptive control, sliding modecontrol, vibration suppression

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Authors: Musammat F. Nahar, Anna Roujeinikova

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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: J. I. Aguwa, S. Sadiku, M. Abdullahi

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This study examined the structural reliability of the Nigerian grown Opepe timber as bridge beam material. The strength of a particular specie of timber depends so much on some factors such as soil and environment in which it is grown. The steps involved are collection of the Opepe timber samples, seasoning/preparation of the test specimens, determination of the strength properties/statistical analysis, development of a computer programme in FORTRAN language and finally structural reliability analysis using FORM 5 software. The result revealed that the Nigerian grown Opepe is a reliable and durable structural bridge beam material for span of 5000mm, depth of 400mm, breadth of 250mm and end bearing length of 150mm. The probabilities of failure in bending parallel to the grain, compression perpendicular to the grain, shear parallel to the grain and deflection are 1.61 x 10^-7, 1.43 x 10^-8, 1.93 x 10^-4 and 1.51 x 10^-15 respectively. The paper recommends establishment of Opepe plantation in various Local Government Areas in Nigeria for structural applications such as in bridges, railway sleepers, generation of income to the nation as well as creating employment for the numerous unemployed youths.

Keywords: Bending and deflection, Bridge beam, Compression, Nigerian Opepe, Shear, Structural reliability.

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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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Authors: Areej R. Banjar, Abraham G. Campbell

Abstract:

The use of Mixed Reality (MR) in teaching and training is growing popular and can improve students’ ability to perform technical procedures. This paper outlines the creation of an interactive educational MR 3D application that aims to improve the quality of instruction for dentistry students. This application is called ”MR-Implantology” and aims to teach and train dentistry students on single dental implant placement. MR-Implantology uses cone-beam computed tomography (CBCT) images as the source for 3D dental models that dentistry students will be able to freely manipulate within a 3D MR world to aid their learning process.

Keywords: Cone-Beam Computed Tomography, dentistry education, implantology, Mixed Reality, MR.

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Authors: U. Mutman, S. B. Coskun

Abstract:

In this study Homotopy Perturbation Method (HPM) is employed to investigate free vibration of an Euler beam with variable stiffness resting on an elastic foundation. HPM is an easy-to-use and very efficient technique for the solution of linear or nonlinear problems. HPM produces analytical approximate expression which is continuous in the solution domain. This work shows that HPM is a promising method for free vibration analysis of nonuniform Euler beams on elastic foundation. Several case problems have been solved by using the technique and solutions have been compared with those available in the literature.

Keywords: Homotopy Perturbation Method, Elastic Foundation, Vibration, Beam

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