Search results for: molecular structures

Authors: I-Ling Chang, Jer-An Chen

Abstract:

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: Sh. Gofurov, O. Ismailova, U. Makhmanov, A. Kokhkharov

Abstract:

The refractometric method has been used to determine optical properties of concentration features of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide at the room temperature. Changes in dielectric permittivity of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide in a wide range of concentrations (0÷1.0 molar fraction) have been studied using molecular dynamics method. The curves depending on the concentration of experimental data on excess refractive indices and excess dielectric permittivity were compared. It has been shown that stable heteromolecular complexes in binary solutions are formed in the concentration range of 0.3÷0.4 mole fractions. The real and complex part of dielectric permittivity was obtained from dipole-dipole autocorrelation functions of molecules. At the concentrations of C = 0.3 / 0.4 m.f. the heteromolecular structures with hydrogen bonds are formed. This is confirmed by the extremum values of excessive dielectric permittivity and excessive refractive index of aqueous solutions.

Keywords: Refractometric method, dielectric constant, molecular dynamics, aqueous solution.

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

Abstract:

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: 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: Mohammed I. Ali, Feng Fan, Peter N. Khakina, Ma H.H

Abstract:

In construction of any structure, the aesthetic and utility values should be considered in such a way as to make the structure cost-effective. Most structures are composed of elements and joints which are very critical in any skeletal space structure because they majorly determine the performance of the structure. In early times, most space structures were constructed using rigid joints which had the advantage of better performing structures as compared to pin-jointed structures but with the disadvantage of requiring all the construction work to be done on site. The discovery of semi-rigid joints now enables connections to be prefabricated and quickly assembled on site while maintaining good performance. In this paper, cost-effective is discussed basing on strength of connectors at the joints, buckling of joints and overall structure, and the effect of initial geometrical imperfections. Several existing joints are reviewed by classifying them into categories and discussing where they are most suited and how they perform structurally. Also, finite element modeling using ABAQUS is done to determine the buckling behavior. It is observed that some joints are more economical than others. The rise to span ratio and imperfections are also found to affect the buckling of the structures. Based on these, general principles that guide the design of cost-effective joints and structures are discussed.

Keywords: Buckling, Connectors, Joint stiffness, Eccentricity, Second moment of area, Semi-rigid joints.

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Authors: Afaq Ahmad

Abstract:

Using state space technique and GF(2) theory, a simulation model for external exclusive NOR type LFSR structures is developed. Through this tool a systematic procedure is devised for computing pseudo-random binary sequences from such structures.

Keywords: LFSR, external exclusive NOR type, recursivebinary sequence, initial state - next state, state transition matrix.

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Authors: Sang-Youl Lee

Abstract:

This study deals with an advanced numerical techniques to detect tensile forces in cable-stayed structures. The proposed method allows us not only to avoid the trap of minimum at initial searching stage but also to find their final solutions in better numerical efficiency. The validity of the technique is numerically verified using a set of dynamic data obtained from a simulation of the cable model modeled using the finite element method. The results indicate that the proposed method is computationally efficient in characterizing the tensile force variation for cable-stayed structures.

Keywords: Tensile force detection, cable-stayed structures, hybrid system identification (h-SI), dynamic response.

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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: 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: Taher Omran Ahmed, Abdullatif Mihdi Buras

Abstract:

Decision support systems are usually based on multidimensional structures which use the concept of hypercube. Dimensions are the axes on which facts are analyzed and form a space where a fact is located by a set of coordinates at the intersections of members of dimensions. Conventional multidimensional structures deal with discrete facts linked to discrete dimensions. However, when dealing with natural continuous phenomena the discrete representation is not adequate. There is a need to integrate spatiotemporal continuity within multidimensional structures to enable analysis and exploration of continuous field data. Research issues that lead to the integration of spatiotemporal continuity in multidimensional structures are numerous. In this paper, we discuss research issues related to the integration of continuity in multidimensional structures, present briefly a multidimensional model for continuous field data. We also define new aggregation operations. The model and the associated operations and measures are validated by a prototype.

Keywords: Continuous Data, Data warehousing, DecisionSupport, SOLAP

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Authors: Ž. Nikolić, H. Smoljanović, N. Živaljić

Abstract:

This paper presents numerical model based on finite-discrete element method for analysis of the structural response of dry stone masonry structures under static and dynamic loads. More precisely, each discrete stone block is discretized by finite elements. Material non-linearity including fracture and fragmentation of discrete elements as well as cyclic behavior during dynamic load are considered through contact elements which are implemented within a finite element mesh. The application of the model was conducted on several examples of these structures. The performed analysis shows high accuracy of the numerical results in comparison with the experimental ones and demonstrates the potential of the finite-discrete element method for modelling of the response of dry stone masonry structures.

Keywords: Finite-discrete element method, dry stone masonry structures, static load, dynamic load.

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Authors: Ishtiaq A. Chaudhry, Zia R. Tahir

Abstract:

Experimental investigation has been carried out towards understanding the complex fluid dynamics involved in the interaction of vortical structures with zero pressure gradient boundary layer. A laminar boundary layer is produced on the flat plate placed in the water flume and the synthetic jet actuator is deployed on top of the plate at a definite distance from the leading edge. The synthetic jet actuator has been designed in such a way that the to and fro motion of the diaphragm is maneuvered at will by varying the operating parameters to produce the typical streamwise vortical structures namely hairpin and tilted vortices. PIV measurements are made on the streamwise plane normal to the plate to evaluate their interaction with the near wall fluid.

Keywords: Boundary layer, synthetic jet actuator, flow separation control, vortical structures.

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Authors: Davoud Beheshtizadeh, Farzin Malekpour

Abstract:

The progress of technology and producing new machinery have made a big change in excavation operations and construction of underground structures. The limitations of space and some other economic, politic and military considerations gained the attention of most developed and developing countries towards the construction of these structures for mine, military, and development objectives. Underground highways, tunnels, subways, oil reservoir resources, fuels, nuclear wastes burying reservoir and underground stores are increasingly developing and being used in these countries. The existence and habitability of the cities depend on these underground installations or in other words these vital arteries. Stopping the flow of water, gas leakage and explosion, collapsing of sewage paths, etc., resulting from the earthquake are among the factors that can severely harm the environment and increase the casualty. Lack of sewage network and complete stoppage of the flow of water in Bam (Iran) is a good example of this kind. In this paper, we investigate the effect of wave orientation on structures and deformation of them and the effect of faulting on underground structures, and then, we study resistance of reinforced concrete against earthquake, simulate two different samples, analyze the result and point out the importance of paying attention to underground installations.

Keywords: Earthquake, underground structures, underground installations.

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Authors: WooYoung Jung, HoYoung Son

Abstract:

This study presented to reduce earthquake damage and emergency rehabilitation of critical structures such as schools, hightech factories, and hospitals due to strong ground motions associated with climate changes. Regarding recent trend, a strong earthquake causes serious damage to critical structures and then the critical structure might be influenced by sequence aftershocks (or tsunami) due to fault plane adjustments. Therefore, in order to improve seismic performance of critical structures, retrofitted or strengthening study of the structures under aftershocks sequence after emergency rehabilitation of the structures subjected to strong earthquakes is widely carried out. Consequently, this study used composite material for emergency rehabilitation of the structure rather than concrete and steel materials because of high strength and stiffness, lightweight, rapid manufacturing, and dynamic performance. Also, this study was to develop or improve the seismic performance or seismic retrofit of critical structures subjected to strong ground motions and earthquake aftershocks, by utilizing GFRP-Corrugated Infill Panels (GCIP).

Keywords: Composite material, GFRP, Infill Panel, Aftershock, Seismic Retrofitting.

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

Abstract:

We developed a method based on quasi-molecular modelling to simulate the fall of water drops on horizontally smooth and rough surfaces. Each quasi-molecule was a group of particles that interacted in a fashion entirely analogous to classical Newtonian molecular interactions. When a falling water droplet was simulated at low impact velocity on both smooth and rough surfaces, the droplets moved periodically (i.e. the droplets moved up and down for a certain period, finally they stopped moving and reached a steady state), spreading and recoiling without splash or break-up. Spreading rates of falling water droplets increased rapidly as time increased until the spreading rate reached its steady state at time t ~ 0.25 s for rough surface and t ~ 0.40 s for smooth surface. The droplet height above both surfaces decreased as time increased, remained constant after the droplet diameter attained a maximum value and reached its steady state at time t ~ 0.4 s. However, rough surface had higher spreading rates of falling water droplets and lower height on the surface than smooth one.

Keywords: Quasi-molecular modelling, particle modelling, molecular aggregate approach.

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Authors: Réka Sárközi, Péter Iványi, Attila B. Széll

Abstract:

The aim of this paper is to present the adaptation of the dome construction tool for formex algebra to the parametric design software Grasshopper. Formex algebra is a mathematical system, primarily used for planning structural systems such like truss-grid domes and vaults, together with the programming language Formian. The goal of the research is to allow architects to plan truss-grid structures easily with parametric design tools based on the versatile formex algebra mathematical system. To produce regular structures, coordinate system transformations are used and the dome structures are defined in spherical coordinate system. Owing to the abilities of the parametric design software, it is possible to apply further modifications on the structures and gain special forms. The paper covers the basic dome types, and also additional dome-based structures using special coordinate-system solutions based on spherical coordinate systems. It also contains additional structural possibilities like making double layer grids in all geometry forms. The adaptation of formex algebra and the parametric workflow of Grasshopper together give the possibility of quick and easy design and optimization of special truss-grid domes.

Keywords: Parametric design, structural morphology, space structures, spherical coordinate system.

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Authors: N. Reehana, A. Parveez Ahamed, D. Mubarak Ali, A. Suresh, R. Arvind Kumar, N. Thajuddin

Abstract:

Cyanobacteria play a vital role in the production of phycobiliproteins that includes phycocyanin and phycoerythrin pigments. Phycocyanin and related phycobiliproteins have wide variety of application that is used in the food, biotechnology and cosmetic industry because of their color, fluorescent and antioxidant properties. The present study is focused to understand the pigment at molecular level in the Cyanobacteria Oscillatoria terebriformis NTRI05 and Oscillatoria foreaui NTRI06. After extraction of genomic DNA, the amplification of C-Phycocyanin gene was done with the suitable primer PCβF and PCαR and the sequencing was performed. Structural and Phylogenetic analysis was attained using the sequence to develop a molecular model.

Keywords: Cyanobacteria, C-Phycocyanin gene, Phylogenetic analysis, Structural analysis.

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Authors: Vladislav A. Nazukin, Valery G. Avgustinovich, Vakhtang V. Tsatiashvili

Abstract:

The most important part of modern lean low NOx combustors is a premixer where swirlers are often used for intensification of mixing processes and further formation of required flow pattern in combustor liner. Swirling flow leads to formation of complex eddy structures causing flow perturbations. It is able to cause combustion instability. Therefore, at design phase, it is necessary to pay great attention to aerodynamics of premixers. Analysis based on unsteady CFD modeling of swirling flow in production combustor swirler showed presence of large number of different eddy structures that can be conditionally divided into three types relative to its location of origin and a propagation path. Further, features of each eddy type were subsequently defined. Comparison of calculated and experimental pressure fluctuations spectrums verified correctness of computations.

Keywords: DES simulation, swirler, vortical structures.

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Authors: R. K. Apalowo, D. Chronopoulos, V. Thierry

Abstract:

There exist a wide range of failure modes in composite structures due to the increased usage of the structures especially in aerospace industry. Moreover, temperature dependent wave response of composite and layered structures have been continuously studied, though still limited, in the last decade mainly due to the broad operating temperature range of aerospace structures. A wave finite element (WFE) and finite element (FE) based computational method is presented by which the temperature dependent wave dispersion characteristics and interaction phenomenon in composite structures can be predicted. Initially, the temperature dependent mechanical properties of the panel in the range of -100 ◦C to 150 ◦C are measured experimentally using the Thermal Mechanical Analysis (TMA). Temperature dependent wave dispersion characteristics of each waveguide of the structural system, which is discretized as a system of a number of waveguides coupled by a coupling element, is calculated using the WFE approach. The wave scattering properties, as a function of temperature, is determined by coupling the WFE wave characteristics models of the waveguides with the full FE modelling of the coupling element on which defect is included. Numerical case studies are exhibited for two waveguides coupled through a coupling element.

Keywords: Temperature dependent mechanical characteristics, wave propagation properties, damage detection, wave finite element, composite structure.

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Authors: Deepanshu Kaushal, T. Shanmuganantham

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This paper draws a comparison between two microstrip patch antennas having different ground structures. The designs utilize 45 mm x 40 mm x 1.6 mm FR4 epoxy substrate (relative permittivity of 4.4 and dielectric loss tangent of 0.02) and CPW feeding technique. The design 1 uses conducting partial ground plates along the two sides of the radiating X’mas tree shaped patch. The design 2 utilizes an X’mas tree shaped slotted ground structure that features a circular radiating patch. A comparative analysis of results of both designs has been carried. The two designs are intended to serve the fixed satellite applications in X and Ku band respectively.

Keywords: CPW feed, partial ground structures, slotted ground structures, fixed satellite applications.

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Authors: Hideaki Tsukamoto, Yoshiki Komiya, Hisashi Sato, Yoshimi Watanabe

Abstract:

This study aims to investigate mechanical behavior of deep-drawn cups consisting of aluminum (A1050)/ duralumin (A2017) multi-layered clad structures with micro- and macro-scale functional gradients. Such multi-layered clad structures are possibly used for a new type of crash-boxes in automobiles to effectively absorb the impact forces generated when automobiles having collisions. The effect of heat treatments on microstructure, compositional gradient, micro hardness in 2 and 6-layered aluminum/ duralumin clad structures, which were fabricated by hot rolling, have been investigated. Impact compressive behavior of deep-drawn cups consisting of such aluminum/ duralumin clad structures has been also investigated in terms of energy absorption and maximum force. Deep-drawn cups consisting of 6-layerd clad structures with microand macro-scale functional gradients exhibit superior properties in impact compressive tests.

Keywords: Crash box, functionally graded material (FGM), Impact compressive property, Multi-layered clad structure.

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Authors: Mohammad A. Bani-Khaled

Abstract:

In this work we use the Discrete Proper Orthogonal Decomposition transform to characterize the properties of coupled dynamics in thin-walled beams by exploiting numerical simulations obtained from finite element simulations. The outcomes of the will improve our understanding of the linear and nonlinear coupled behavior of thin-walled beams structures. Thin-walled beams have widespread usage in modern engineering application in both large scale structures (aeronautical structures), as well as in nano-structures (nano-tubes). Therefore, detailed knowledge in regard to the properties of coupled vibrations and buckling in these structures are of great interest in the research community. Due to the geometric complexity in the overall structure and in particular in the cross-sections it is necessary to involve computational mechanics to numerically simulate the dynamics. In using numerical computational techniques, it is not necessary to over simplify a model in order to solve the equations of motions. Computational dynamics methods produce databases of controlled resolution in time and space. These numerical databases contain information on the properties of the coupled dynamics. In order to extract the system dynamic properties and strength of coupling among the various fields of the motion, processing techniques are required. Time- Proper Orthogonal Decomposition transform is a powerful tool for processing databases for the dynamics. It will be used to study the coupled dynamics of thin-walled basic structures. These structures are ideal to form a basis for a systematic study of coupled dynamics in structures of complex geometry.

Keywords: Coupled dynamics, geometric complexity, Proper Orthogonal Decomposition (POD), thin walled beams.

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Authors: Ankit Jain, Archana Agrawal

Abstract:

With the ever-increasing need for wireless communication and the emergence of many systems, it is important to design broadband antennas to cover a wide frequency range. The aim of this paper is to design a broadband patch antenna, employing the three techniques of slotting, adding directly coupled parasitic elements, and fractal EBG structures. The bandwidth is improved from 9.32% to 23.77%. A wideband ranging from 4.15 GHz to 5.27 GHz is obtained. Also a comparative analysis of embedding EBG structures at different heights is also done. The composite effect of integrating these techniques in the design provides a simple and efficient method for obtaining low profile, broadband, high gain antenna. By the addition of parasitic elements the bandwidth was increased to only 18.04%. Later on by embedding EBG structures the bandwidth was increased up to 23.77%. The design is suitable for variety of wireless applications like WLAN and Radar Applications.

Keywords: Bandwidth, broadband, EBG structures, parasitic elements, Slotting.

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Authors: Nophaket Napong

Abstract:

Rooted in the study of social functioning of space in architecture, Space Syntax (SS) and the more recent Network Pattern (NP) researches demonstrate the 'spatial structures' of city, i.e. the hierarchical patterns of streets, junctions and alley ends. Applying SS and NP models, planners can conceptualize the real city-s patterns. Although, both models yield the optimal path of the city their underpinning displays of the city-s spatial configuration differ. The Axial Map analyzes the topological non-distance-based connectivity structure, whereas, the Central-Node Map and the Shortcut-Path Map, in contrast, analyze the metrical distance-based structures. This research contrasts and combines them to understand various forms of city-s structures. It concludes that, while they reveal different spatial structures, Space Syntax and Network Pattern urban models support each the other. Combining together they simulate the global access and the locally compact structures namely the central nodes and the shortcuts for the city.

Keywords: Street pattern, space syntax, syntactic and metrical models, network pattern models.

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Authors: David L. Azevedo, Jordan Del Nero

Abstract:

In this paper we study a system composed by carbon nanotube (CNT) and bundle of carbon nanotube (BuCNT) interacting with a specific fatty acid as molecular probe. Full system is represented by open nanotube (or nanotubes) and the linoleic acid (LA) relaxing due the interaction with CNT and BuCNT. The LA has in his form an asymmetric shape with COOH termination provoking a close BuCNT interaction mainly by van der Waals force field. The simulations were performed by classical molecular dynamics with standard parameterizations. Our results show that these BuCNT and CNT are dynamically stable and it shows a preferential interaction position with LA resulting in three features: (i) when the LA is interacting with CNT and BuCNT (including both termination, CH2 or COOH), the LA is repelled; (ii) when the LA terminated with CH2 is closer to open extremity of BuCNT, the LA is also repelled by the interaction between them; and (iii) when the LA terminated with COOH is closer to open extremity of BuCNT, the LA is encapsulated by the BuCNT. These simulations are part of a more extensive work on searching efficient selective molecular devices and could be useful to reach this goal.

Keywords: Carbon Nanotube, Linoleic Acid, MolecularDynamics.

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Authors: Djamal Hamadi, Oussama Temami, Abdallah Zatar, Sifeddine Abderrahmani

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The analysis and design of thin shell structures is a topic of interest in a variety of engineering applications. In structural mechanics problems the analyst seeks to determine the distribution of stresses throughout the structure to be designed. It is also necessary to calculate the displacements of certain points of the structure to ensure that specified allowable values are not exceeded. In this paper a comparative study between displacement and strain based finite elements applied to the analysis of some thin shell structures is presented. The results obtained from some examples show the efficiency and the performance of the strain based approach compared to the well known displacement formulation.

Keywords: Displacement formulation, Finite elements, Strain based approach, Shell structures.

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Authors: Nasim Abuali Galehdari, Thomas J. Ryan, Ajit D. Kelkar

Abstract:

In recent years, nanotechnology has played an important role in the design of an efficient radiation shielding polymeric composites. It is well known that, high loading of nanomaterials with radiation absorption properties can enhance the radiation attenuation efficiency of shielding structures. However, due to difficulties in dispersion of nanomaterials into polymer matrices, there has been a limitation in higher loading percentages of nanoparticles in the polymer matrix. Therefore, the objective of the present work is to provide a methodology to fabricate and then to characterize the functionally graded radiation shielding structures, which can provide an efficient radiation absorption property along with good structural integrity. Sandwich structures composed of Ultra High Molecular Weight Polyethylene (UHMWPE) fabric as face sheets and functionally graded epoxy nanocomposite as core material were fabricated. A method to fabricate a functionally graded core panel with controllable gradient dispersion of nanoparticles is discussed. In order to optimize the design of functionally graded sandwich composites and to analyze the stress distribution throughout the sandwich composite thickness, a finite element method was used. The sandwich panels were discretized using 3-Dimensional 8 nodded brick elements. Classical laminate analysis in conjunction with simplified micromechanics equations were used to obtain the properties of the face sheets. The presented finite element model would provide insight into deformation and damage mechanics of the functionally graded sandwich composites from the structural point of view.

Keywords: Nanotechnology, functionally graded material, radiation shielding, sandwich composites, finite element method.

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Authors: S. A. Hashemi, A. Khoshraftar

Abstract:

This paper presents the influence of the vertical seismic component on the non-linear dynamics analysis of three different structures. The subject structures were analyzed and designed according to recent codes. This paper considers three types of buildings: 5-, 10-, and 15-story buildings. The non-linear dynamics analysis of the structures with assuming elastic-perfectlyplastic behavior was performed using RAM PERFORM-3D software; the horizontal component was taken into consideration with and without the incorporation of the corresponding vertical component. Dynamic responses obtained for the horizontal component acting alone were compared with those obtained from the simultaneous application of both seismic components. The results show that the effect of the vertical component of ground motion may increase the axial load significantly in the interior columns and, consequently, the stories. The plastic mechanisms would be changed. The P-Delta effect is expected to increase. The punching base plate shear of the columns should be considered. Moreover, the vertical component increases the input energy when the structures exhibit inelastic behavior and are taller.

Keywords: Inelastic behavior, non-linear dynamic analysis, steel structure, vertical component.

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Authors: Sajjad Seifoori

Abstract:

Impact behavior of striker on graphene sheet and carbon nanotube is investigated based on molecular dynamics (MD) simulations. A MD simulation is conducted to obtain the maximum dynamic deflections of a square and rectangular single-layered graphene sheets (SLGSs) with various values of side-length and striker parameter. Effect of (i) chirality, (ii) graphene side-length and nanotube length, (iii) striker mass on the maximum dynamic deflections of graphene and nanotube are investigated. The effect of different types of boundary condition on the maximum dynamic deflections is studied for zigzag and armchair SWCNTs with various aspect ratios (Length/Diameter).

Keywords: Impact, molecular dynamic, graphene, nanotube.

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Authors: Kahil Amar, Boukais Said, Kezmane Ali, Hamizi Mohand, Hannachi Naceur Eddine

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The principle of the seismic performance evaluation methods is to provide a measure of capability for a building or set of buildings to be damaged by an earthquake. The common objective of many of these methods is to supply classification criteria. The purpose of this study is to present a method for assessing the seismic performance of structures, based on Pushover method; we are particularly interested in reinforced concrete frame structures, which represent a significant percentage of damaged structures after a seismic event. The work is based on the characterization of seismic movement of the various earthquake zones in terms of PGA and PGD that is obtained by means of SIMQK_GR and PRISM software and the correlation between the points of performance and the scalar characterizing the earthquakes will developed.

Keywords: Seismic performance, Pushover method, characterization of seismic motion, harmfulness of the seismic signal

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