Search results for: crystallographic packet

Authors: Richard Draper

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A supercomputer can be constructed from identical building blocks which are small parallel processors connected by a network referred to as the local network. The routers have unused ports which are used to interconnect the building blocks. These connections are referred to as the global network. The address space has a global and a local component (g, l). The conventional way to connect the building blocks is to connect (g, l) to (g’,l). If there are K blocks, this requires K global ports in each router. If a block is of size M, the result is a machine with KM routers having diameter two. To increase the size of the machine to 2K blocks, each router connects to only half of the other blocks. The result is a larger machine but also one with greater diameter. This is a crude description of how the network of the CRAY XC® is designed. In this paper, a family of interconnection networks using routers with K global and M local ports is defined. Coordinates are (c,d, p) and the global connections are (c,d,p)↔(c’,p,d) which swaps p and d. The network is denoted D3(K,M) and is called a Swapped Dragonfly. D3(K,M) has KM2 routers and has diameter three, regardless of the size of K. To produce a network of size KM2 conventionally, diameter would be an increasing function of K. The family of Swapped Dragonflies has other desirable properties: 1) D3(K,M) scales linearly in K and quadratically in M. 2) If L < K, D3(K,M) contains many copies of D3(L,M). 3) If L < M, D3(K,M) contains many copies of D3(K,L). 4) D3(K,M) can perform an all-to-all exchange in KM2+KM time which is only slightly more than the time to do a one-to-all. This paper makes several contributions. It is the first time that a swap has been used to define a linearly scalable family of networks. Structural properties of this new family of networks are thoroughly examined. A synchronizing packet header is introduced. It specifies the path to be followed and it makes it possible to define highly parallel communication algorithm on the network. Among these is an all-to-all exchange in time KM2+KM. To demonstrate the effectiveness of the swap properties of the network of the CRAY XC® and D3(K,16) are compared.

Keywords: all-to-all exchange, CRAY XC®, Dragonfly, interconnection network, packet switching, swapped network, topology

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Authors: Bhat Geetalaxmi Jairam, D. V. Ashoka

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Wireless Sensor Networks are used in many applications to collect sensed data from different sources. Sensed data has to be delivered through sensors wireless interface using multi-hop communication towards the sink. The data collection in wireless sensor networks consumes energy. Energy consumption is the major constraints in WSN .Reducing the energy consumption while increasing the amount of generated data is a great challenge. In this paper, we have implemented two data gathering protocols with multiple mobile sinks/elements to collect data from sensor nodes. First, is Energy-Efficient Data Gathering with Tour Length-Constrained Mobile Elements in Wireless Sensor Networks (EEDG), in which mobile sinks uses vehicle routing protocol to collect data. Second is An Intelligent Agent-based Routing Structure for Mobile Sinks in WSNs (IAR), in which mobile sinks uses prim’s algorithm to collect data. Authors have implemented concepts which are common to both protocols like deployment of mobile sinks, generating visiting schedule, collecting data from the cluster member. Authors have compared the performance of both protocols by taking statistics based on performance parameters like Delay, Packet Drop, Packet Delivery Ratio, Energy Available, Control Overhead. Authors have concluded this paper by proving EEDG is more efficient than IAR protocol but with few limitations which include unaddressed issues likes Redundancy removal, Idle listening, Mobile Sink’s pause/wait state at the node. In future work, we plan to concentrate more on these limitations to avail a new energy efficient protocol which will help in improving the life time of the WSN.

Keywords: aggregation, consumption, data gathering, efficiency

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Authors: Namrata Yaduvanshi, Shilpa Kapoor, Pooja Pawar, Sadhna Singh

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In the present paper, we have investigated the high-pressure structural phase transition and elastic properties of cerium mononitride. We studied theoretically the structural properties of this compound (CeN) by using the Improved Interaction Potential Model (IIPM) approach. This compound exhibits first order crystallographic phase transition from NaCl (B1) to tetragonal (BCT) phase at 37 GPa. The phase transition pressures and associated volume collapse obtained from present potential model (IIPM) show a good agreement with available theoretical data.

Keywords: phase transition, volume collapse, elastic constants, three body interaction

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Authors: Z. Abdollahi Biron, P. Pisu

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Connected vehicles are one of the promising technologies for future Intelligent Transportation Systems (ITS). A connected vehicle system is essentially a set of vehicles communicating through a network to exchange their information with each other and the infrastructure. Although this interconnection of the vehicles can be potentially beneficial in creating an efficient, sustainable, and green transportation system, a set of safety and reliability challenges come out with this technology. The first challenge arises from the information loss due to unreliable communication network which affects the control/management system of the individual vehicles and the overall system. Such scenario may lead to degraded or even unsafe operation which could be potentially catastrophic. Secondly, faulty sensors and actuators can affect the individual vehicle’s safe operation and in turn will create a potentially unsafe node in the vehicular network. Further, sending that faulty sensor information to other vehicles and failure in actuators may significantly affect the safe operation of the overall vehicular network. Therefore, it is of utmost importance to take these issues into consideration while designing the control/management algorithms of the individual vehicles as a part of connected vehicle system. In this paper, we consider a connected vehicle system under Co-operative Adaptive Cruise Control (CACC) and propose a fault diagnosis scheme that deals with these aforementioned challenges. Specifically, the conventional CACC algorithm is modified by adding a Kalman filter-based estimation algorithm to suppress the effect of lost information under unreliable network. Further, a sliding mode observer-based algorithm is used to improve the sensor reliability under faults. The effectiveness of the overall diagnostic scheme is verified via simulation studies.

Keywords: fault diagnostics, communication network, connected vehicles, packet drop out, platoon

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Authors: A. A. Azab

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In this work, Sm0.6Sr0.4CoxMn1-xO3 (x=0, 0.1, 0.2 and 0.3) was synthesized by sol-gel method for magnetocaloric effect (MCE) applications. XRD analysis confirmed formation of the required orthorhombic phase of perovskite, and there is crystallographic phase transition as a result of substitution. Maxwell-Wagner interfacial polarisation and Koops phenomenological theory were used to investigate and analyze the temperature and frequency dependency of the dielectric permittivity. The phase transition from the ferromagnetic to the paramagnetic state was demonstrated to be second order. Based on the isothermal magnetization curves obtained at various temperatures, the magnetic entropy change was calculated. A magnetocaloric effect (MCE) over a wide temperature range was studied by determining DSM and the relative cooling power (RCP).

Keywords: magnetocaloric effect, pperovskite, magnetic phase transition, dielectric permittivity

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Authors: P. I. Yachevskaya, S. A. Terentiev, M. S. Kuznetsov

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Several synthetic HPHT diamonds with metal inclusions have been studied. To have possibility of investigate the movement and transformation of the inclusions in the volume of the diamond the samples parallele-piped like shape has been made out of diamond crystals. The calculated value of temperature gradient in the samples of diamond which was placed in high-pressure cell was about 5-10 grad/mm. Duration of the experiments was in range 2-16 hours. All samples were treated several times. It has been found that the volume (dimensions) of inclusions, temperature, temperature gradient and the crystallographic orientation of the samples in the temperature field affects the movement speed of inclusions. Maximum speed of inclusions’ movement reached a value 150 µm/h.

Keywords: diamond, inclusions, temperature gradient, HPHT

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Authors: Branko Skoric, Aleksandar Miletic, Pal Terek, Lazar Kovacevic, Milan Kukuruzovic

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In this paper, we present the results of a study of TiN thin films which are deposited by a Physical Vapour Deposition (PVD) and Ion Beam Assisted Deposition (IBAD). In the present investigation the subsequent ion implantation was provided with N⁵⁺ ions. The ion implantation was applied to enhance the mechanical properties of surface. The thin film deposition process exerts a number of effects such as crystallographic orientation, morphology, topography, densification of the films. A variety of analytic techniques were used for characterization, such as scratch test, calo test, Scanning electron microscopy (SEM), Atomic Force Microscope (AFM), X-ray diffraction (XRD) and Energy Dispersive X-ray analysis (EDAX).

Keywords: coating, super hard, ion implantation, nanohardness

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Authors: E. Stepanova, N. Popov, S. Demakov, S. Stepanov

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This paper examines the so-called invar-type behavior of metastable titanium alloy subjected to cold rolling. The effect was shown to occur due to the anisotropy of thermal expansion of titanium orthorhombic martensite. By means of X-ray diffraction analysis and dilatometry analyses, the influence of crystallographic texture of orthorhombic martensite on the coefficient of thermal expansion of sheets of metastable titanium alloy VT23 was examined. Anisotropy of the coefficient of thermal expansion has been revealed. It was lower in the rolling plane and higher along the transverse direction of the cold-rolled sheet comparing to the coefficient of thermal expansion of the unprocessed alloy.

Keywords: invar-type, cold rolling, metastable titanium alloy, texture

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Authors: Mahendran Samykano, Ram Mohan, Shyam Aravamudhan

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The objective of this work is to study the effect of two key factors-external magnetic field and applied current density during the template-based electrodeposition of nickel nanowires using an electrode distance of 20 mm. Morphology, length, crystallite size, and crystallographic characterization of the grown nickel nanowires at an electrode distance of 20mm are presented. For this electrode distance of 20 mm, these two key electrodeposition factors when coupled was found to reduce crystallite size with a higher growth length and preferred orientation of Ni crystals. These observed changes can be inferred to be due to coupled interaction forces induced by the intensity of applied electric field (current density) and external magnetic field known as magnetohydrodynamic (MHD) effect during the electrodeposition process.

Keywords: anodic alumina oxide, electrodeposition, nanowires, nickel

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Authors: Elmabruk Laias, Abdalla M. Hanashi, Mohammed Alnas

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Worldwide Interoperability for Microwave Access (WiMAX) became one of the most challenging issues, since it was responsible for distributing available resources of the network among all users this leaded to the demand of constructing and designing high efficient scheduling algorithms in order to improve the network utilization, to increase the network throughput, and to minimize the end-to-end delay. In this study, the proposed algorithm focuses on an efficient mechanism to serve non-real time traffic in congested networks by considering channel status.

Keywords: WiMAX, Quality of Services (QoS), OPNE, Diff-Serv (DS).

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Authors: Dahmane Mohamed, Tab Asma, Trari Mohamed

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BaMnO₃ nanoparticles were synthesized by a nitrate route. Its structure and physical properties were characterized by means of X-ray powder diffraction, radio crystallographic analysis, ultraviolet-visible absorption spectroscopy in diffuse reflectance mode, infrared spectroscopy, and electrochemical measurements. The optical study showed that barium manganese oxide presents a direct transition with band energy 2.13 eV. The electrochemical study allowed us to identify the redox peaks and the corrosion parameters. Capacitance measurement clearly showed n-type conductivity. The photodegradation of paracetamol by BaMnO₃ was followed by UV-visible spectrophotometry; the results were then confirmed by HPLC. BaMnO₃ has shown its photocatalytic efficiency in the photodegradation of 10 mg/L paracetamol under solar irradiation, with a yield of ≈ 88%. The kinetic study has shown that paracetamol degrades with first-order kinetics.

Keywords: BaMnO₃, photodegradation, paracetamol, electrochemical measurements, solar light

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Authors: Osama Madkhali

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GdAl₃(BO₃)₄ phosphors, incorporating Dy³+ and Dy³+/Eu³+ activators, were successfully synthesized via the gel combustion method. Powder X-ray diffraction (XRD) was utilized to ascertain phase purity and assess the impact of dopant concentration on the crystallographic structure. Photoluminescence (PL) measurements revealed that luminescence properties' intensity and lifetime varied with Dy³+ and Eu³+ ion concentrations. The relationship between luminescence intensity and doping concentration was explored in the context of the energy transfer process between Eu³+ and Dy³+ ions. An increase in Eu³+ co-doping concentrations resulted in a decrease in luminescence lifetime. Energy transfer efficiency was significantly enhanced from 26% to 84% with Eu³+ co-doping, as evidenced by decay curve analysis. These findings position GdAl₃(BO₃)4: Dy³+, Eu³+ phosphors as promising candidates for LED applications in solid-state lighting and displays.

Keywords: GdAl₃(BO₃)₄ phosphors, Dy³+/Eu³+ co-doping, photoluminescence (PL) measurements, luminescence properties, LED applications, solid-state lighting

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Authors: Keri̇m Emre Öksüz, Şaduman Şen, Uğur Şen

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0.5 wt. % B2O3–doped Ba (Ti1-xZrx) O3, (x=0-0.4) lead-free nanoceramics were synthesized using the solid-state reaction method by adopting the ball milling technique. The influence of the substitution content on crystallographic structure, phase transition, microstructure and sintering behaviour of BT and BZT ceramics were investigated. XRD analysis at room temperature revealed a structural transformation from tetragonal to rhombohedral with enhancement of ZrO2 content in the barium titanate matrix. The scanning electron microscope (SEM) and energy-dispersive X-ray spectroscopy (EDS) were used to investigate microstructure and surface morphology of the sintered samples. The evolution of the Raman spectra was studied for various compositions, and the spectroscopic signature of the corresponding phase was determined. Scanning Electron Microscope (SEM) observations revealed enhanced microstructural uniformity and retarded grain growth with increasing Zr content.

Keywords: BaTiO3, barium-titanate-zirconate, nanoceramics, raman spectroscopy

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Authors: Nidhi Gopal

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Routing is the process of moving a packet of data from source to destination and enables messages to pass from one computer to another and eventually reach the target machine. A router is a networking device that forwards data packets between computer networks. It is connected to two or more data lines from different networks (as opposed to a network switch, which connects data lines from one single network). This paper mainly emphasizes upon the study of router device, its top level architecture, and how various sub-modules of router i.e. Register, FIFO, FSM and Synchronizer are synthesized, and simulated and finally connected to its top module.

Keywords: data packets, networking, router, routing

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Authors: Salman Naseer, Usman Zafar, Iqra Zafar

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This study explores the implication of Vehicular Adhoc Network (VANET) - in the rural and urban scenarios that is one domain of Mobile Adhoc Network (MANET). VANET provides wireless communication between vehicle to vehicle and also roadside units. The Federal Commission Committee of United States of American has been allocated 75 MHz of the spectrum band in the 5.9 GHz frequency range for dedicated short-range communications (DSRC) that are specifically designed to enhance any road safety applications and entertainment/information applications. There are several vehicular related projects viz; California path, car 2 car communication consortium, the ETSI, and IEEE 1609 working group that have already been conducted to improve the overall road safety or traffic management. After the critical literature review, the selection of routing protocols is determined, and its performance was well thought-out in the urban and rural scenarios. Numerous routing protocols for VANET are applied to carry out current research. Its evaluation was conceded with the help of selected protocols through simulation via performance metric i.e. throughput and packet drop. Excel and Google graph API tools are used for plotting the graphs after the simulation results in order to compare the selected routing protocols which result with each other. In addition, the sum of the output from each scenario was computed to undoubtedly present the divergence in results. The findings of the current study present that DSR gives enhanced performance for low packet drop and high throughput as compared to AODV and DSDV in an urban congested area and in rural environments. On the other hand, in low-density area, VANET AODV gives better results as compared to DSR. The worth of the current study may be judged as the information exchanged between vehicles is useful for comfort, safety, and entertainment. Furthermore, the communication system performance depends on the way routing is done in the network and moreover, the routing of the data based on protocols implement in the network. The above-presented results lead to policy implication and develop our understanding of the broader spectrum of VANET.

Keywords: AODV, DSDV, DSR, Adhoc network

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Authors: Alaa Eddien Abdallah, Bajes Yousef Alskarnah

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Ant colony based routing algorithms are known to grantee the packet delivery, but they suffer from the huge overhead of control messages which are needed to discover the route. In this paper we utilize the network nodes positions to group the nodes in connected clusters. We use clusters-heads only on forwarding the route discovery control messages. Our simulations proved that the new algorithm has decreased the overhead dramatically without affecting the delivery rate.

Keywords: ad-hoc network, MANET, ant colony routing, position based routing

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Authors: Tayeb Chihi, Messaoud Fatmi

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We present calculations of the structural, elastic and electronic properties of nonferrous Ti, Zr, and Hf pure metals in both parent and martensite phases in bcc and hcp structures respectively. They are based on the generalized gradient approximation (GGA) within the density functional theory (DFT). The shear modulus, Young's modulus and Poisson's ratio for Ti, Zr, and Hf metals have were calculated and compared with the corresponding experimental values. Using elastic constants obtained from calculations GGA, the bulk modulus along the crystallographic axes of single crystals was calculated. This is in good agreement with experiment for Ti and Zr, whereas the hcp structure for Hf is a prediction. At zero temperature and zero pressure, the bcc crystal structure is found to be mechanically unstable for Ti, Zr, and Hf. In our calculations the hcp structures is correctly found to be stable at the equilibrium volume. In the electronic density of states (DOS), the smaller n(EF) is, the more stable the compound is. Therefore, in agreement with the results obtained from the total energy minimum.

Keywords: Ti, Zr, Hf, pure metals, transformation, energy

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Authors: Evgeniya Popova, Vladimir Lesnikov, Nikolay Popov

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High yield complex coatings have been designed for thermally stressed cooled HP turbine blades from single crystal alloys ZHS32-VI-VI and ZHS36 with crystallographic orientation [001]. These coatings provide long-term protection of single crystal blades during operation. The three-layer coatings were prepared as follows: the diffusion barrier layer formation on the alloy surface, the subsequent deposition of the condensed bilayer coatings consisting of an inner layer based on Ni-Cr-Al-Y systems and an outer layer based on the alloyed β-phase. The structure, phase composition of complex coatings and reaction zone interaction with the single-crystal alloys ZHS32-VI and ZHS36-VI were investigated using scanning electron microscope (SEM). The effect of complex protective coatings on the properties of heat-resistant nickel alloys was studied.

Keywords: single crystal nickel alloys, complex heat-resistant coatings, structure, phase composition, properties

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Authors: Anjela Koblischka-Veneva, Michael R. Koblischka

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To increase the flux pinning performance of bulk YBa2Cu3O7-δ (YBCO or Y-123) superconductors, it is common to employ secondary phase particles, either Y2BaCuO5 (Y-211) particles created during the growth of the samples or additionally added (nano)particles of various types, embedded in the superconducting Y-123 matrix. As the crystallographic parameters of all the particles indicate a misfit to Y-123, there will be residual strain within the Y-123 matrix around such particles. With a dedicated analysis of electron backscatter diffraction (EBSD) data obtained on various bulk, Y-123 superconductor samples, the strain distribution around such embedded secondary phase particles can be revealed. The results obtained are presented in form of Kernel Average Misorientation (KAM) mappings. Around large Y-211 particles, the strain can be so large that YBCO subgrains are formed. Therefore, it is essential to properly control the particle size as well as their distribution within the bulk sample to obtain the best performance. The impact of the strain distribution on the flux pinning properties is discussed.

Keywords: Bulk superconductors, EBSD, Strain, YBa2Cu3Oy

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Authors: Yun-Chung Yu, Yan-Wen Wang, Min-Sheng Liao, Joe-Air Jiang, Yuen-Chung Lee

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This paper proposes to use a Long Range Wide Area Network (LoRaWAN) for a smart pest monitoring system which aims at the oriental fruit fly (Bactrocera dorsalis) to improve the communication efficiency of the system. The oriental fruit fly is one of the main pests in Southeast Asia and the Pacific Rim. Different smart pest monitoring systems based on the Internet of Things (IoT) architecture have been developed to solve problems of employing manual measurement. These systems often use Octopus II, a communication module following the 2.4GHz IEEE 802.15.4 ZigBee specification, as sensor nodes. The Octopus II is commonly used in low-power and short-distance communication. However, the energy consumption increase as the logical topology becomes more complicate to have enough coverage in the large area. By comparison, LoRaWAN follows the Low Power Wide Area Network (LPWAN) specification, which targets the key requirements of the IoT technology, such as secure bi-directional communication, mobility, and localization services. The LoRaWAN network has advantages of long range communication, high stability, and low energy consumption. The 433MHz LoRaWAN model has two superiorities over the 2.4GHz ZigBee model: greater diffraction and less interference. In this paper, The Octopus II module is replaced by a LoRa model to increase the coverage of the monitoring system, improve the communication performance, and prolong the network lifetime. The performance of the LoRa-based system is compared with a ZigBee-based system using three indexes: the packet receiving rate, delay time, and energy consumption, and the experiments are done in different settings (e.g. distances and environmental conditions). In the distance experiment, a pest monitoring system using the two communication specifications is deployed in an area with various obstacles, such as buildings and living creatures, and the performance of employing the two communication specifications is examined. The experiment results show that the packet receiving the rate of the LoRa-based system is 96% , which is much higher than that of the ZigBee system when the distance between any two modules is about 500m. These results indicate the capability of a LoRaWAN-based monitoring system in long range transmission and ensure the stability of the system.

Keywords: LoRaWan, oriental fruit fly, IoT, Octopus II

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Authors: Akshay Suhas Phalke, Manohar S. Chaudhari

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In this paper, we have discussed the multipath routing with its variants. Our purpose is to discuss the different types of the multipath routing mechanism. Here we also put the taxonomy of the multipath routing. Multipath routing is used for the alternate path routing, reliable transmission of data and for better utilization of network resources. We also discussed the multipath routing for topology hiding such as TOHIP. In multipath routing, different parameters such as energy efficiency, packet delivery ratio, shortest path routing, fault tolerance play an important role. We have discussed a number of multipath routing protocol based on different parameters lastly.

Keywords: multi-path routing, WSN, topology, fault detection, trust

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Authors: Oktay Nusratov, Ramin Rzaev, Aydin Goyushov

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Fuzzy inference method based approach to the forming of modular intellectual system of assessment the quality of communication services is proposed. Developed under this approach the basic fuzzy estimation model takes into account the recommendations of the International Telecommunication Union in respect of the operation of packet switching networks based on IP-protocol. To implement the main features and functions of the fuzzy control system of quality telecommunication services it is used multilayer feedforward neural network.

Keywords: quality of communication, IP-telephony, fuzzy set, fuzzy implication, neural network

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Authors: Sanjay M. Tailor, Urmila H. Patel

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Phthalyl Sulfacetamide belongs to well-known member of antimicrobial sulfonamide family. It is a potent antitumor drug. Structural characteristics of 4-amino-N-(2quinoxalinyl) benzene-sulfonamides (Phthalyl Sulfacetamide), C14H12N4O2S has been studied by method of X-ray crystallography. The compound crystallizes in monoclinic space group P21/n with unit cell parameters a= 7.9841 Ǻ, b= 12.8208 Ǻ, c= 16.6607 Ǻ, α= 90˚, β= 93.23˚, γ= 90˚and Z=4. The X-ray based three-dimensional structure analysis has been carried out by direct methods and refined to an R-value of 0.0419. The crystal structure is stabilized by intermolecular N-H…N, N-H…O and π-π interactions. The Hirshfeld surfaces and consequently the fingerprint analysis have been performed to study the nature of interactions and their quantitative contributions towards the crystal packing. An analysis of Hirshfeld surfaces and fingerprint plots facilitates a comparison of intermolecular interactions, which are the key elements in building different supramolecular architectures. Docking is used for virtual screening for the prediction of the strongest binders based on various scoring functions. Docking studies are carried out on Phthalyl Sulfacetamide for better activity, which is important for the development of a new class of inhibitors.

Keywords: phthalyl sulfacetamide, crystal structure, hirshfeld surface analysis, docking

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Authors: Tokuei Sako

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Light-induced ultrafast charge transfer in low-dimensional nanostructure has been studied by a model of a few electrons confined in a 1D electrostatic potential coupled to electrodes at both ends and subjected to an ultrashort pulsed laser field. The time-propagation of the one- and two-electron wave packets has been calculated by integrating the time-dependent Schrödinger equation by the symplectic integrator method with uniform Fourier grid. The temporal behavior of the resultant light-induced current in the studied systems has been discussed with respect to the central frequency and pulse width of the applied laser fields.

Keywords: pulsed laser field, nanowire, wave packet, quantum dots, conductivity

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Authors: A. Chouaih, N. Benhalima, N. Boukabcha, R. Rahmani, F. Hamzaoui

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Zwitterionic compounds have received the interest of chemists and physicists due to their applications as nonlinear optical materials. Recently, zwitterionic compounds exhibiting high nonlinear optical activity have been investigated. In this context, the molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. In this crystal, the molecules form dimers via intermolecular hydrogen bonds. The dimers are further linked by C–H...O hydrogen bonds into chains along the c crystallographic axis. This study has also allowed us to determine various nonlinear optical properties such as molecular electrostatic potential, polarizability, and hyperpolarizability of the title compound.

Keywords: organic compounds, polarizability, hyperpolarizability, dipole moment

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Authors: Anushree, Chhaya Sharma, Satish Kumar

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Catalytic wet air oxidation (CWAO) is normally carried out at elevated temperature and pressure. This work investigates the potential of NiO-CeO₂ nano-catalyst in CWAO of paper industry wastewater under milder operating conditions of 90 °C and 1 atm. The NiO-CeO₂ nano-catalysts were synthesized by a simple co-precipitation method and characterized by X-ray diffraction (XRD), before and after use, in order to study any crystallographic change during experiment. The extent of metal-leaching from the catalyst was determined using the inductively coupled plasma optical emission spectrometry (ICP-OES). The catalytic activity of nano-catalysts was studied in terms of total organic carbon (TOC), adsorbable organic halides (AOX) and chlorophenolics (CHPs) removal. Interestingly, mixed oxide catalysts exhibited higher activity than the corresponding single-metal oxides. The maximum removal efficiency was achieved with Ce₄₀Ni₆₀ catalyst. The results indicate that the CWAO process is efficient in removing the priority organic pollutants from wastewater, as it exhibited up to 59% TOC, 55% AOX, and 54 % CHPs removal.

Keywords: catalysis, nano-materials, NiO-CeO2, paper mill, wastewater, wet air oxidation

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Authors: Juliana A. B. Silva, Caio H. T. L. Albuquerque, Leonardo L. dos Santos, Cristiane K. Oliveira, Ivani Malvestiti, Fernando Hallwass, Ricardo L. Longo

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Complexes with lanthanide ions have been extensively studied due to their applications as luminescent, magnetic and catalytic materials as molecular or extended crystals, thin films, glasses, polymeric matrices, ionic liquids, and in solution. NMR chemical shift data in solution have been reported and suggest fluxional structures in a wide range of coordination compounds with rare earth ions. However, the fluxional mechanisms for these compounds are still not established. This structural fluxionality may affect the photophysical, catalytic and magnetic properties in solution. Thus, understanding the structural interconversion mechanisms may aid the design of coordination compounds with, for instance, improved (electro)luminescence, catalytic and magnetic behaviors. The [Eu(btfa)₃bipy] complex, where btfa= 4,4,4-trifluoro-1-phenyl-1,3-butanedionate and bipy= 2,2’-bipiridyl, has a well-defined X-ray crystallographic structure and preliminary 1H NMR data suggested a structural fluxionality. Thus, we have investigated a series of coordination compounds with lanthanide ions [Ln(btfa)₃L], where Ln = La, Eu, Gd or Yb and L= bipy or phen (phen=1,10-phenanthroline) using a combined theoretical-experimental approach. These complexes were synthesized and fully characterized, and detailed NMR measurements were obtained. They were also studied by quantum chemical computational methods (DFT-PBE0). The aim was to determine the relevant factors in the structure of these compounds that favor or not the fluxional behavior. Measurements of the 1H NMR signals at variable temperature in CD₂Cl₂ of the [Eu(btfa)₃L] complexes suggest that these compounds have a fluxional structure, because the crystal structure has non-equivalent btfa ligands that should lead to non-equivalent hydrogen atoms and thus to more signals in the NMR spectra than those obtained at room temperature, where all hydrogen atoms of the btfa ligands are equivalent, and phen ligand has an effective vertical symmetry plane. For the [Eu(btfa)₃bipy] complex, the broadening of the signals at –70°C provides a lower bound for the coalescence temperature, which indicates the energy barriers involved in the structural interconversion mechanisms are quite small. These barriers and, consequently, the coalescence temperature are dependent upon the radii of the lanthanide ion as well as to their paramagnetic effects. The PBE0 calculated structures are in very good agreement with the crystallographic data and, for the [Eu(btfa)₃bipy] complex, this method provided several distinct structures with almost the same energy. However, the energy barrier for structural interconversion via dissociative pathways were found to be quite high and could not explain the experimental observations. Whereas the pseudo-rotation pathways, involving the btfa and bipy ligands, have very small activation barriers, in excellent agreement with the NMR data. The results also showed an increase in the activation barrier along the lanthanide series due to the decrease of the ionic radii and consequent increase of the steric effects. TD-DFT calculations showed a dependence of the ligand donor state energy with different structures of the complex [Eu(btfa)₃phen], which can affect the energy transfer rates and the luminescence. The energy required to promote the structural fluxionality may also enhance the luminescence quenching in solution. These results can aid in the design of more luminescent compounds and more efficient devices.

Keywords: computational chemistry, lanthanide-based compounds, NMR, structural fluxionality

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Authors: I. Baddari, A. Riahla, M. Mezghich

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Today in the literature, we discover a lot of routing algorithms which some have been the subject of normalization. Two great classes Routing algorithms are defined, the first is the class reactive algorithms and the second that of algorithms proactive. The aim of this work is to make a comparative study between some routing algorithms. Two comparisons are considered. The first will focus on the protocols of the same class and second class on algorithms of different classes (one reactive and the other proactive). Since they are not based on analytical models, the exact evaluation of some aspects of these protocols is challenging. Simulations have to be done in order to study their performances. Our simulation is performed in NS2 (Network Simulator 2). It identified a classification of the different routing algorithms studied in a metrics such as loss of message, the time transmission, mobility, etc.

Keywords: ad-hoc network routing protocol, simulation, NS2, delay, packet loss, wideband, mobility

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Authors: Samia Dardouri, Ridha Bouallegue

Abstract:

Scheduling is the process of dynamically allocating physical resources to User Equipment (UE) based on scheduling algorithms implemented at the LTE base station. Various algorithms have been proposed by network researchers as the implementation of scheduling algorithm which represents an open issue in Long Term Evolution (LTE) standard. This paper makes an attempt to study and compare the performance of PF, MLWDF and EXP/PF scheduling algorithms. The evaluation is considered for a single cell with interference scenario for different flows such as Best effort, Video and VoIP in a pedestrian and vehicular environment using the LTE-Sim network simulator. The comparative study is conducted in terms of system throughput, fairness index, delay, packet loss ratio (PLR) and total cell spectral efficiency.

Keywords: LTE, multimedia flows, scheduling algorithms, mobile computing

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Authors: Riffat Kalsoom, Qurat-Ul-Ain Javed

Abstract:

Optical and dielectric properties of lithium niobates have made them the fascinating materials to be used in optical industry for device formation such as Q and optical switching. Synthesis of lithium niobates was carried out by solvothermal process with and without temperature fluctuation at 200°C for 4 hrs, and behavior of properties for different durations was also examined. Prepared samples of LiNbO₃ were examined in a way as crystallographic phases by using XRD diffractometer, morphology by scanning electron microscope (SEM), absorption by UV-Visible Spectroscopy and dielectric measurement by impedance analyzer. A structural change from trigonal to spherical shape was observed by changing the time of reaction. Crystallite size decreases by the temperature fluctuation and increasing reaction time. Band gap decreases whereas dielectric constant and dielectric loss was increased with increasing time of reaction. Trend of AC conductivity is explained by Joschner’s power law. Due to these significant properties, it finds its applications in devices, such as cells, Q switching and optical switching for laser and gigahertz frequencies, respectively and these applications depend on the industrial demands.

Keywords: lithium niobates, renewable energy devices, controlled structure, temperature fluctuations

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