Search results for: molecular structures

Authors: R. C. J. Mphahlele, K. Bolton, H. Kasaini

Abstract:

Empirical force fields and density functional theory (DFT) was used to study the binding energies and structures of methylamine on the surface of activated carbons (ACs). This is a first step in studying the adsorption of alkyl amines on the surface of functionalized ACs. The force fields used were Dreiding (DFF), Universal (UFF) and Compass (CFF) models. The generalized gradient approximation with Perdew Wang 91 (PW91) functional was used for DFT calculations. In addition to obtaining the aminecarboxylic acid adsorption energies, the results were used to establish reliability of the empirical models for these systems. CFF predicted a binding energy of -9.227 (kcal/mol) which agreed with PW91 at - 13.17 (kcal/mol), compared to DFF 0 (kcal/mol) and UFF -0.72 (kcal/mol). However, the CFF binding energies for the amine to ester and ketone disagreed with PW91 results. The structures obtained from all models agreed with PW91 results.

Keywords: Activated Carbons, Binding energy, DFT, Force fields.

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Authors: D. Bąk-Grabowska, K. Grzesik, A. Iwanicka, A. Jagoda

Abstract:

The process of human resources management in the structures of corporate groups demonstrates certain specificity, resulting from the division of decision-making and executive competencies, which occurs within these structures between a parent company and its subsidiaries. The subprocess of employee assessment is considered crucial, since it provides information for the implementation of personnel function. The empirical studies conducted in corporate groups, within which at least one company is located in Poland, confirmed the critical significance of employee assessment systems in the process of human resources management in corporate groups. Parent companies, most often, retain their decision-making authority within the framework of the discussed process and introduce uniform employee assessment and personnel controlling systems to subsidiary companies. However, the instruments for employee assessment applied in corporate groups do not present such specificity.

Keywords: Corporate groups, employee periodical assessment system, holding, human resources management.

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Authors: Talebi Aliasghar, Ebrahimpour Komeleh Hooman, Maghsoudi Ali Akbar

Abstract:

In reinforced concrete (RC) structures, beam-column connection region has a considerable effect on the behavior of structures. Using fiber reinforcement polymer (FRP) for the strengthening of connections in RC structures can be one of the solutions to retrofitting this zone which result in the enhanced behavior of structure. In this paper, these changes in behavior by using FRP for high strength concrete beam-column connection have been studied by finite element modeling. The concrete damage plasticity (CDP) model has been used to analyze the RC. The results illustrated a considerable development in load-bearing capacity but also a noticeable reduction in ductility. The study also assesses these qualities for several modes of strengthening and suggests the most effective mode of strengthening. Using FRP in flexural zone and FRP with 45-degree oriented fibers in shear zone of joint showed the most significant change in behavior.

Keywords: High strength concrete, beam-column connection, FRP, FEM.

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Authors: Woo Young Jung, Bu Seog Ju

Abstract:

This study described the seismic performance evaluation of bridge structures, located near Daegu metropolitan city in Korea. The structural design code or regulatory guidelines is focusing on the protection of brittle failure or collapse in bridges’ lifetime during an earthquake. This paper illustrated the procedure in terms of the safety evaluation of bridges using simple linear elastic 3D Finite Element (FE) model in ABAQUS platform. The design response spectra based on KBC 2009 were then developed, in order to understand the seismic behavior of bridge structures. Besides, the multiple directional earthquakes were applied and it revealed that the most dominated earthquake direction was transverse direction of the bridge. Also, the bridge structure under the compressive stress was more fragile than the tensile stress and the vertical direction of seismic ground motions was not significantly affected to the structural system.

Keywords: Bridge, Finite Element, 3D model, Earthquake, Spectrum.

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Authors: Sushil Kumar Swar, Sanjay Kumar Sharma, Hari Krishan Sharma, Sushil Kumar

Abstract:

The seriously damaged structures during earthquakes show the need and importance of design of reinforced concrete structures with high ductility. Reinforced concrete beam-column joints have an important function in all structures. Under seismic excitation, the beam column joint region is subjected to horizontal and vertical shear forces whose magnitude is many times higher than the adjacent beam and column. Strength and ductility of structures depends mainly on proper detailing of the reinforcement in beamcolumn joints and the old structures were found ductility deficient. DSP materials are obtained by using high quantities of super plasticizers and high volumes of micro silica. In the case of High Performance Densified Small Particle Concrete (HPDSPC), since concrete is dense even at the micro-structure level, tensile strain would be much higher than that of the conventional SFRC, SIFCON & SIMCON. This in turn will improve cracking behaviour, ductility and energy absorption capacity of composites in addition to durability. The fine fibers used in our mix are 0.3mm diameter and 10 mm which can be easily placed with high percentage. These fibers easily transfer stresses and act as a composite concrete unit to take up extremely high loads with high compressive strength. HPDSPC placed in the beam column joints helps in safety of human life due to prolonged failure.

Keywords: High Performance Densified Small Particle Concrete (HPDSPC), Steel Fıber Reinforced Concrete (SFRC), Slurry Infiltrated Concrete (SIFCON), Slurry Infiltrated Mat Concrete (SIMCON).

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Authors: S. Douss, F. Touati, M. Loulou

Abstract:

A design flow of multi-standard down-conversion CMOS mixers for three modern standards: Global System Mobile, Digital Enhanced Cordless Telephone and Universal Mobile Telecommunication Systems is presented. Three active mixer-s structures are studied. The first is based on the Gilbert cell which gives a tolerable noise figure and linearity with a low conversion gain. The second and third structures use the current bleeding and charge injection techniques in order to increase the conversion gain. An improvement of about 2 dB of the conversion gain is achieved without a considerable degradation of the other characteristics. The models used for noise figure, conversion gain and IIP3 used are studied. This study describes the nature of trade-offs inherent in such structures and gives insights that help in identifying which structure is better for given conditions.

Keywords: Active mixer, Radio-frequency transceiver, Multistandardfront end, Gilbert cell, current bleeding, charge injection.

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Authors: R. K. Apalowo, D. Chronopoulos

Abstract:

A Finite Element (FE) based scheme is presented for quantifying guided wave interaction with Localised Nonlinear Structural Damage (LNSD) within structures of arbitrary layering and geometric complexity. The through-thickness mode-shape of the structure is obtained through a wave and finite element method. This is applied in a time domain FE simulation in order to generate time harmonic excitation for a specific wave mode. Interaction of the wave with LNSD within the system is computed through an element activation and deactivation iteration. The scheme is validated against experimental measurements and a WFE-FE methodology for calculating wave interaction with damage. Case studies for guided wave interaction with crack and delamination are presented to verify the robustness of the proposed method in classifying and identifying damage.

Keywords: Layered Structures, nonlinear ultrasound, wave interaction with nonlinear damage, wave finite element, finite element.

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Authors: Matthias Dehmer, Frank Emmert Streib, Alexander Mehler, Jürgen Kilian, Max Mühlhauser

Abstract:

Due to the tremendous amount of information provided by the World Wide Web (WWW) developing methods for mining the structure of web-based documents is of considerable interest. In this paper we present a similarity measure for graphs representing web-based hypertext structures. Our similarity measure is mainly based on a novel representation of a graph as linear integer strings, whose components represent structural properties of the graph. The similarity of two graphs is then defined as the optimal alignment of the underlying property strings. In this paper we apply the well known technique of sequence alignments for solving a novel and challenging problem: Measuring the structural similarity of generalized trees. In other words: We first transform our graphs considered as high dimensional objects in linear structures. Then we derive similarity values from the alignments of the property strings in order to measure the structural similarity of generalized trees. Hence, we transform a graph similarity problem to a string similarity problem for developing a efficient graph similarity measure. We demonstrate that our similarity measure captures important structural information by applying it to two different test sets consisting of graphs representing web-based document structures.

Keywords: Graph similarity, hierarchical and directed graphs, hypertext, generalized trees, web structure mining.

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Authors: T. Balogh, L. G. Vigh

Abstract:

Seismic design may require non-conventional concept, due to the fact that the stiffness and layout of the structure have a great effect on the overall structural behaviour, on the seismic load intensity as well as on the internal force distribution. To find an economical and optimal structural configuration the key issue is the optimal design of the lateral load resisting system. This paper focuses on the optimal design of regular, concentric braced frame (CBF) multi-storey steel building structures. The optimal configurations are determined by a numerical method using genetic algorithm approach, developed by the authors. Aim is to find structural configurations with minimum structural cost. The design constraints of objective function are assigned in accordance with Eurocode 3 and Eurocode 8 guidelines. In this paper the results are presented for various building geometries, different seismic intensities, and levels of energy dissipation.

Keywords: Dissipative Structures, Genetic Algorithm, Seismic Effects, Structural Optimization.

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Authors: S. Desouky, A. Al sabagh , M. Betiha, A. Badawi, A. Ghanem, S. Khalil

Abstract:

Two Amphiphilic catalysts, iron (III) dodecylbenzene sulfonate and nickel (II) dodecylbenzene sulfonate, were synthesized and used in the catalytic aquathermolysis of heavy crude oil to reduce its viscosity. The prepared catalysts exhibited good performance in the aquathermolysis and the viscosity is reduced by ~ 78.9 % for Egyptian heavy crude oil. The chemical and physical properties of heavy oil both before and after reaction were investigated by FT-IR, dynamic viscosity, molecular weight and SARA analysis. The results indicated that the content of resin, asphaltene, average molecular weight and sulfur content of heavy oil is reduced after the catalytic aquathermolysis.

Keywords: Amphiphilic catalyst, Aquathermolysis, Heavy oil, Viscosity reduction.

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Authors: Kalyan Kumar Mandal, Damodar Maity

Abstract:

The degradation of concrete due to various hygrochemo- mechanical actions is inevitable for the structures particularly built to store water. Therefore, it is essential to determine the material properties of dam-like structures due to ageing to predict the behavior of such structures after a certain age. The degraded material properties are calculated by introducing isotropic degradation index. The predicted material properties are used to study the behavior of aged dam at different ages. The dam is modeled by finite elements and displacement and is considered as an unknown variable. The parametric study reveals that the displacement is quite larger for comparatively lower design life of the structure because the degradation of elastic properties depends on the design life of the dam. The stresses in dam cam be unexpectedly large at any age with in the design life. The outcomes of the present study indicate the importance of the consideration ageing effect of concrete exposed to water for the safe design of dam throughout its life time.

Keywords: Hygro-chemo-mechanical, isotropic degradation, finite element method, Koyna earthquake.

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Authors: G. W. Ni, Y. M. Zhang, D. L. Jiang, J. N. Chen, B. Liu

Abstract:

In order to improve the effect of isolation structure, the principles and behaviours of the base-isolation system are studied, and the types and characteristics of the base-isolation are also discussed. Compared to the traditional aseismatic structures, the base isolation structures decrease the seismic response obviously: the total structural aseismatic value decreases to 1/4-1/32 and the seismic shear stress in the upper structure decreases to 1/14-1/23. In the huge seism, the structure can have an obvious aseismatic effect.

Keywords: Base-isolation, earthquake wave, dynamic response.

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Authors: J. Menčík, B. Culek, Jr., L. Beran, J. Mareš

Abstract:

Large metal and concrete structures suffer by various kinds of deterioration, and accurate prediction of the remaining life is important. This paper informs about two methods for its assessment. One method, suitable for steel bridges and other constructions exposed to fatigue, monitors the loads and damage accumulation using information systems for the operation and the finite element model of the construction. In addition to the operation load, the dead weight of the construction and thermal stresses can be included into the model. The second method is suitable for concrete bridges and other structures, which suffer by carbonatation and other degradation processes, driven by diffusion. The diffusion constant, important for the prediction of future development, can be determined from the depth-profile of pH, obtained by pH measurement at various depths. Comparison with measurements on real objects illustrates the suitability of both methods.

Keywords: Bridges, carbonatation, concrete, diagnostics, fatigue, life prediction, monitoring, railway, simulation, structures.

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Authors: Mohammadreza Vafaei, Amirali Moradi, Sophia C. Alih

Abstract:

The method selected for the design of structures not only can affect their seismic vulnerability but also can affect their construction cost. For the design of steel structures, two distinct methods have been introduced by existing codes, namely allowable stress design (ASD) and load resistant factor design (LRFD). This study investigates the effect of using the aforementioned design methods on the seismic vulnerability and construction cost of steel structures. Specifically, a 20-story building equipped with special moment resisting frame and an eccentrically braced system was selected for this study. The building was designed for three different intensities of peak ground acceleration including 0.2 g, 0.25 g, and 0.3 g using the ASD and LRFD methods. The required sizes of beams, columns, and braces were obtained using response spectrum analysis. Then, the designed frames were subjected to nine natural earthquake records which were scaled to the designed response spectrum. For each frame, the base shear, story shears, and inter-story drifts were calculated and then were compared. Results indicated that the LRFD method led to a more economical design for the frames. In addition, the LRFD method resulted in lower base shears and larger inter-story drifts when compared with the ASD method. It was concluded that the application of the LRFD method not only reduced the weights of structural elements but also provided a higher safety margin against seismic actions when compared with the ASD method.

Keywords: Allowable stress design, load resistant factor design, nonlinear time history analysis, seismic vulnerability, steel structures.

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Authors: Hosein Ghaffarzadeh, Robab Naseri Ghalghachi

Abstract:

Structural redundancy is an interesting point in seismic design of structures. Initially, the structural redundancy is described as indeterminate degree of a system. Although many definitions are presented for redundancy in structures, recently the definition of structural redundancy has been related to the configuration of structural system and the number of lateral load transferring directions in the structure. The steel frames with infill walls are general systems in the constructing of usual residential buildings in some countries. It is obviously declared that the performance of structures will be affected by adding masonry infill walls. In order to investigate the effect of infill walls on the redundancy of the steel frame which constructed with masonry walls, the components of redundancy including redundancy variation index, redundancy strength index and redundancy response modification factor were extracted for the frames with masonry infills. Several steel frames with typical storey number and various numbers of bays were designed and considered. The redundancy of frames with and without infill walls was evaluated by proposed method. The results showed the presence of infill causes increase of redundancy.

Keywords: Structural redundancy, Masonry infill walls frames.

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Authors: Zone-Ching Lin, Meng-Hua Lin, Ying-Chih Hsu

Abstract:

This paper uses quasi-steady molecular statics model and diamond tool to carry out simulation temperature rise of nanoscale orthogonal cutting single-crystal silicon. It further qualitatively analyzes temperature field of silicon workpiece without considering heat transfer and considering heat transfer. This paper supposes that the temperature rise of workpiece is mainly caused by two heat sources: plastic deformation heat and friction heat. Then, this paper develops a theoretical model about production of the plastic deformation heat and friction heat during nanoscale orthogonal cutting. After the increased temperature produced by these two heat sources are added up, the acquired total temperature rise at each atom of the workpiece is substituted in heat transfer finite difference equation to carry out heat transfer and calculates the temperature field in each step and makes related analysis.

Keywords: Quasi-steady molecular statics, Nanoscale orthogonal cutting, Finite difference, Temperature.

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Authors: Akshata S. Malani, Anagha D. Chaudhari, Rajeshkumar U. Sambhe

Abstract:

Nanotechnology in pristine sense refers to building of structures at atomic and molecular scale. Meticulously nanotechnology encompasses the nanomaterials with at least one dimension size ranging from 1 to 100 nanometres. Unlike the literal meaning of its name, nanotechnology is a massive concept beyond imagination. This paper predominantly deals with relevance of nanotechnology in automotive industries. New generation of automotives looks at nanotechnology as an emerging trend of manufacturing revolution. Intricate shapes can be made out of fairly inexpensive raw materials instead of conventional fabrication process. Though the current era have enough technology to face competition, nanotechnology can give futuristic implications to pick up the modern pace. Nanotechnology intends to bridge the gap between automotives with superior technical performance and their cost fluctuation. Preliminarily, it is an area of great scientific interest and a major shaper of many new technologies. Nanotechnology can be an ideal building block for automotive industries, under constant evolution offering a very wide scope of activity. It possesses huge potential and is still in the embryonic form of research and development.

Keywords: Nanotechnology, nanomaterials, manufacturing, automotive industry.

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Authors: D. K. Lee, S. M. Shin, J. H. Lee

Abstract:

Topology optimization technique utilizes constant element densities as design parameters. Finally, optimal distribution contours of the material densities between voids (0) and solids (1) in design domain represent the determination of topology. It means that regions with element density values become occupied by solids in design domain, while there are only void phases in regions where no density values exist. Therefore the void regions of topology optimization results provide design information to decide appropriate depositions of web-opening in structure. Contrary to the basic objective of the topology optimization technique which is to obtain optimal topology of structures, this present study proposes a new idea that topology optimization results can be also utilized for decision of proper web-opening’s position. Numerical examples of linear elastostatic structures demonstrate efficiency of methodological design processes using topology optimization in order to determinate the proper deposition of web-openings.

Keywords: Topology optimization, web-opening, structure, element density, material.

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Authors: Oğuzhan Hasançebi, Saeid Kazemzadeh Azad

Abstract:

Keywords: Structural design optimization, optimal sizing, metaheuristics, self-adaptive step-size search, steel trusses, steel frames.}

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Authors: Soltani Amir, Wang Xuan

Abstract:

The advantage of using non-linear passive damping  system in vibration control of two adjacent structures is investigated  under their base excitation. The base excitation is El Centro  earthquake record acceleration. The damping system is considered as  an optimum and effective non-linear viscous damper that is  connected between two adjacent structures. A MATLAB program is  developed to produce the stiffness and damping matrices and to  determine a time history analysis of the dynamic motion of the  system. One structure is assumed to be flexible while the other has a  rule as laterally supporting structure with rigid frames. The response  of the structure has been calculated and the non-linear damping  coefficient is determined using optimum LQR algorithm in an  optimum vibration control system. The non-linear parameter of  damping system is estimated and it has shown a significant advantage  of application of this system device for vibration control of two  adjacent tall building.

Keywords: Structural Control, Active and passive damping, Vibration control, Seismic isolation.

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Authors: Emad Askar, Eldesoky Elsoaly, Mohamed Kamel, Hisham Kamel

Abstract:

The objective of this article is to improve the passive vibration damping of solar array (SA) used in space structures, by the effective application of numerical optimization. A case study of a SA is used for demonstration. A finite element (FE) model was created and verified by experimental testing. Optimization was then conducted by implementing the FE model with the genetic algorithm, to find the optimal placement of aluminum circular patches, to suppress the first two bending mode shapes. The results were verified using experimental testing. Finally, a parametric study was conducted using the FE model where patch locations, material type, and shape were varied one at a time, and the results were compared with the optimal ones. The results clearly show that through the proper application of FE modeling and numerical optimization, passive vibration damping of space structures has been successfully achieved.

Keywords: Damping optimization, genetic algorithm optimization, passive vibration damping, solar array vibration damping.

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Authors: M. Rad, M. Dolatshahi Pirooz, M. Esmayili

Abstract:

To understand the seismic behavior of the offshore structures, the dynamic interaction of the water-structure-soil should be assessed. In this regard the role of the water dynamic properties in magnifying or reducing of the effects of earthquake induced motions on offshore structures haven't been investigated in precise manner in available literature. In this paper the sea water level fluctuations effects on the seismic behavior of a sample of offshore structures has been investigated by emphasizing on the water-structure interaction phenomenon. For this purpose a two dimensional finite element model of offshore structures as well as surrounded water has been developed using ANSYS software. The effect of soil interaction with embedded pile foundation has been imposed by using a series of nonlinear springs in horizontal and vertical directions in soil-piles contact points. In the model, the earthquake induced motions have been applied on springs and consequently the motions propagated upward to the structure and surrounded water. As a result of numerical study, the horizontal deformations of the offshore deck as well as internal force and buckling coefficient in structural elements have been recorded and controlled with and without water presence. In part of study a parametric study has been accomplished on sea water level fluctuations and effect of this parameter has been studied on the aforementioned numerical results.

Keywords: Fluid-Structure Interaction, Jacket, Sea Water Level, Seismic Loading.

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Authors: Permphan Dharmasaroja

Abstract:

Acute disseminated encephalomyelitis (ADEM) has been reported to develop after a hymenoptera sting, but its pathogenesis is not known in detail. Myelin basic protein (MBP)- specific T cells have been detected in the blood of patients with ADEM, and a proportion of these patients develop multiple sclerosis (MS). In an attempt to understand the mechanisms underlying ADEM, molecular mimicry between hymenoptera venom peptides and the human immunodominant MBP peptide was scrutinized, based on the sequence and structural similarities, whether it was the root of the disease. The results suggest that the three wasp venom peptides have low sequence homology with the human immunodominant MBP residues 85-99. Structural similarity analysis among the three venom peptides and the MS-related HLA-DR2b (DRA, DRB1*1501)-associated immunodominant MHC binding/TCR contact residues 88-93, VVHFFK showed that hyaluronidase residues 7-12, phospholipase A1 residues 98-103, and antigen 5 residues 109-114 showed a high degree of similarity 83.3%, 100%, and 83.3% respectively. In conclusion, some wasp venom peptides, particularly phospholipase A1, may potentially act as the molecular motifs of the human 3HLA-DR2b-associated immunodominant MBP88-93, and possibly present a mechanism for induction of wasp sting-associated ADEM.

Keywords: central nervous system, Hymenoptera, myelin basicprotein, molecular mimicry.

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Authors: Babak Safaei, A. M. Fattahi

Abstract:

In the present study we have investigated axial buckling characteristics of nanocomposite beams reinforced by single-walled carbon nanotubes (SWCNTs). Various types of beam theories including Euler-Bernoulli beam theory, Timoshenko beam theory and Reddy beam theory were used to analyze the buckling behavior of carbon nanotube-reinforced composite beams. Generalized differential quadrature (GDQ) method was utilized to discretize the governing differential equations along with four commonly used boundary conditions. The material properties of the nanocomposite beams were obtained using molecular dynamic (MD) simulation corresponding to both short-(10,10) SWCNT and long- (10,10) SWCNT composites which were embedded by amorphous polyethylene matrix. Then the results obtained directly from MD simulations were matched with those calculated by the mixture rule to extract appropriate values of carbon nanotube efficiency parameters accounting for the scale-dependent material properties. The selected numerical results were presented to indicate the influences of nanotube volume fractions and end supports on the critical axial buckling loads of nanocomposite beams relevant to long- and short-nanotube composites.

Keywords: Nanocomposites, molecular dynamics simulation, axial buckling, generalized differential quadrature (GDQ).

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Authors: B.Singh, B.K.Nanda

Abstract:

Response surface methodology with Box–Benhken (BB) design of experiment approach has been utilized to study the mechanism of interface slip damping in layered and jointed tack welded beams with varying surface roughness. The design utilizes the initial amplitude of excitation, tack length and surface roughness at the interfaces to develop the model for the logarithmic damping decrement of the layered and jointed welded structures. Statistically designed experiments have been performed to estimate the coefficients in the mathematical model, predict the response, and check the adequacy of the model. Comparison of predicted and experimental response values outside the design conditions have shown good correspondence, implying that empirical model derived from response surface approach can be effectively used to describe the mechanism of interface slip damping in layered and jointed tack welded structures.

Keywords: Interface slip damping, welded joint, surface roughness, amplitude, tack length, response surface methodology.

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Authors: Lili Chen, Chao Yuan

Abstract:

On path space kQ, there is a trivial kQ^a-module structure determined by the multiplication of path algebra kQ^a and a trivial kQ^c-comodule structure determined by the comultiplication of path coalgebra kQ^c. In this paper, on path space kQ, a nontrivial kQ^a-module structure is defined, and it is proved that this nontrivial left kQ^a-module structure is isomorphic to the dual module structure of trivial right kQ^c-comodule. Dually, on path space kQ, a nontrivial kQ^c-comodule structure is defined, and it is proved that this nontrivial right kQ^c-comodule structure is isomorphic to the dual comodule structure of trivial left kQ^a-module. Finally, the trivial and nontrivial module structures on path space are compared from the aspect of submodule, and the trivial and nontrivial comodule structures on path space are compared from the aspect of subcomodule.

Keywords: Quiver, path space, module, comodule, dual.

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Authors: Zi-Gui Huang, Tsung-Tsong Wu

Abstract:

Large full frequency band gaps of surface and bulk acoustic waves in two-dimensional phononic band structures with hollow cylinders are addressed in this paper. It is well-known that absolute frequency band gaps are difficultly obtained in a band structure consisted of low-acoustic-impedance cylinders in high-acoustic-impedance host materials such as PMMA/Ni band structures. Phononic band structures with hollow cylinders are analyzed and discussed to obtain large full frequency band gaps not only for bulk modes but also for surface modes. The tendency of absolute frequency band gaps of surface and bulk acoustic waves is also addressed by changing the inner radius of hollow cylinders in this paper. The technique and this kind of band structure are useful for tuning the frequency band gaps and the design of acoustic waveguides.

Keywords: Phononic crystals, Band gap, SAW, BAW.

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Authors: J. M. de Luis Ruiz, P. M. Sierra García, R. P. García, R. P. Álvarez, F. P. García, E. C. López

Abstract:

Given the evolution of viaducts, structural health monitoring requires more complex techniques to define their state. two alternatives can be distinguished: experimental and operational modal analysis. Although accelerometers or Global Positioning System (GPS) have been applied for the monitoring of structures under exploitation, the dynamic monitoring during the stage of construction is not common. This research analyzes whether GPS data can be applied to certain dynamic geometric controls of evolving structures. The fundamentals of this work were applied to the New Bridge of Cádiz (Spain), a worldwide milestone in bridge building. GPS data were recorded with an interval of 1 second during the erection of segments and turned to the frequency domain with Fourier transform. The vibration period and amplitude were contrasted with those provided by the finite element model, with differences of less than 10%, which is admissible. This process provides a vibration record of the structure with GPS, avoiding specific equipment.

Keywords: Fourier transform, global position system, operational modal analysis, structural health monitoring.

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Authors: G. V. Novikov, V. S. Sivozhelezov, S. S. Kolesnikov, K. V. Shaitan

Abstract:

The study reports about the influence of binding of orthosteric ligands as well as point mutations on the conformational dynamics of β-2-adrenoreceptor. Using molecular dynamics simulation we found that there was a little fraction of active states of the receptor in its apo (ligand free) ensemble corresponded to its constitutive activity. Analysis of MD trajectories indicated that such spontaneous activation of the receptor is accompanied by the motion in intracellular part of its alpha-helices. Thus receptor’s constitutive activity directly results from its conformational dynamics. On the other hand the binding of a full agonist resulted in a significant shift of the initial equilibrium towards its active state. Finally, the binding of the inverse agonist stabilized the receptor in its inactive state. It is likely that the binding of inverse agonists might be a universal way of constitutive activity inhibition in vivo. Our results indicate that ligand binding redistribute pre-existing conformational degrees of freedom (in accordance to the Monod-Wyman-Changeux-Model) of the receptor rather than cause induced fit in it. Therefore, the ensemble of biologically relevant receptor conformations is encoded in its spatial structure, and individual conformations from that ensemble might be used by the cell in conformity with the physiological behavior.

Keywords: Seven-transmembrane receptors, constitutive activity, activation, x-ray crystallography, principal component analysis, molecular dynamics simulation.

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Authors: Amin Eisazadeh, Khairul Anuar Kassim, Hadi Nur

Abstract:

The expansive nature of soils containing high amounts of clay minerals can be altered through chemical stabilization, resulting in a material suitable for construction purposes. The primary objective of this investigation was to study the changes induced in the molecular structure of phosphoric acid stabilized bentonite and lateritic soil using Nuclear Magnetic Resonance (NMR) and Fourier Transform Infrared (FTIR) spectroscopy. Based on the obtained data, it was found that a surface alteration mechanism was the main reason responsible for the improvement of treated soils. Furthermore, the results indicated that the Al present in the octahedral layer of clay minerals were more amenable to chemical attacks and also partly responsible for the formation of new products.

Keywords: Bentonite, Laterite clay, Molecularcharacterization, Phosphoric acid, Stabilization

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