Search results for: molecular switches

Authors: Nagaraju Jarugu, B. R. Narendra

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This paper focused on boost rectification by Single Phase Matrix Converter with fewer numbers of switches. The conventional matrix converter consists of 4 bidirectional switches, i.e. 8 set of IGBT/MOSFET with anti-parallel diodes. In this proposed matrix converter, only six switches are used. The switch commutation arrangements are also carried out in this work. The SPMC topology has many advantages as a minimal passive device use. It is very flexible and it can be used as a lot of converters. The gate pulses to the switches are provided by the PWM techniques. The duty ratio of the switches based on Pulse Width Modulation (PWM) technique was used to produce the output waveform of the circuit, simply by turning ON and OFF the switches. The simulation results using MATLAB/Simulink were provided to validate the feasibility of this proposed method.

Keywords: single phase matrix converter, reduced switches, AC voltage regulators, boost rectifier operation

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Authors: Igor B. Sivaev

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Design of molecular machines is an extraordinary growing and very important area of research that it was recognized by awarding Sauvage, Stoddart and Feringa the Nobel Prize in Chemistry in 2016 'for the design and synthesis of molecular machines'. Based on the type of motion being performed, molecular machines can be divided into two main types: molecular motors and molecular switches. Molecular switches are molecules or supramolecular complexes having bistability, i.e., the ability to exist in two or more stable forms, among which may be reversible transitions under external influence (heating, lighting, changing the medium acidity, the action of chemicals, exposure to magnetic or electric field). Molecular switches are the main structural element of any molecular electronics devices. Therefore, the design and the study of molecules and supramolecular systems capable of performing mechanical movement is an important and urgent problem of modern chemistry. There is growing interest in molecular switches and other devices of molecular electronics based on transition metal complexes; therefore choice of suitable stable organometallic unit is of great importance. An example of such unit is bis(dicarbollide) complexes of transition metals [3,3’-M(1,2-C₂B₉H₁₁)₂]ⁿ⁻. The control on the ligand rotation in such complexes can be reached by introducing substituents which could provide stabilization of certain rotamers due to specific interactions between the ligands, on the one hand, and which can participate as Lewis bases in complex formation with external metals resulting in a change in the rotation angle of the ligands, on the other hand. A series of isomeric methyl sulfide derivatives of cobalt bis(dicarbollide) complexes containing methyl sulfide substituents at boron atoms in different positions of the pentagonal face of the dicarbollide ligands [8,8’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻, rac-[4,4’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ and meso-[4,7’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ were synthesized by the reaction of CoCl₂ with the corresponding methyl sulfide carborane derivatives [10-MeS-7,8-C₂B₉H₁₁)₂]⁻ and [10-MeS-7,8-C₂B₉H₁₁)₂]⁻. In the case of asymmetrically substituted cobalt bis(dicarbollide) complexes the corresponding rac- and meso-isomers were successfully separated by column chromatography as the tetrabutylammonium salts. The compounds obtained were studied by the methods of ¹H, ¹³C, and ¹¹B NMR spectroscopy, single crystal X-ray diffraction, cyclic voltammetry, controlled potential coulometry and quantum chemical calculations. It was found that in the solid state, the transoid- and gauche-conformations of the 8,8’- and 4,4’-isomers are stabilized by four intramolecular CH···S(Me)B hydrogen bonds each one (2.683-2.712 Å and 2.709-2.752 Å, respectively), whereas gauche-conformation of the 4,7’-isomer is stabilized by two intramolecular CH···S hydrogen bonds (2.699-2.711 Å). The existence of the intramolecular CH·S(Me)B hydrogen bonding in solutions was supported by the 1H NMR spectroscopy. These data are in a good agreement with results of the quantum chemical calculations. The corresponding iron and nickel complexes were synthesized as well. The reaction of the methyl sulfide derivatives of cobalt bis(dicarbollide) with various labile transition metal complexes results in rupture of intramolecular hydrogen bonds and complexation of the methyl sulfide groups with external metal. This results in stabilization of other rotational conformation of cobalt bis(dicarbollide) and can be used in design of molecular switches. This work was supported by the Russian Science Foundation (16-13-10331).

Keywords: molecular switches, NMR spectroscopy, single crystal X-ray diffraction, transition metal bis(dicarbollide) complexes, quantum chemical calculations

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Authors: Hassan Saffari, Reza Askari Moghadam

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In modern communication systems, it is highly demanded to achieve high performance with minimal power consumption. Low actuation voltage RF MEMS (Micro-Electro-Mechanical Systems) switches represent a significant advancement in this regard. These switches, with their ability to operate at lower voltages, offer promising solutions for enhancing connectivity while minimizing energy consumption. Microelectromechanical switches are good alternatives for electronic and mechanical switches due to their low insertion loss, high isolation, and fast switching speeds. They have attracted more attention in recent years. Most of the presented RF MEMS switches use electrostatic actuators due to their low power consumption. Low actuation voltage RF MEMS switches are among the important issues that have been investigated in research articles. The actuation voltage can be reduced by different methods. One usually implemented method is low spring constant structures. However, despite their numerous benefits, challenges remain in the widespread adoption of low-actuation voltage RF MEMS switches. Issues related to reliability, durability, and manufacturing scalability need to be addressed to realize their full potential in commercial applications. While overcoming certain challenges, their exceptional performance characteristics and compatibility with miniaturized electronic systems make them a promising choice for next-generation wireless communication and RF applications. In this paper, some previous works that proposed low-voltage actuation RF MEMS switches are investigated and analyzed.

Keywords: RF MEMS switches, low actuation voltage, small spring constant structures, electrostatic actuation

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Authors: Mahsa Fathollahzadeh

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The quick advancement of nanotechnology necessitates the creation of innovative theoretical approaches to elucidate complex experimental findings and forecast novel capabilities of nanodevices. Therefore, over the past ten years, a difficult task in quantum chemistry has been comprehending electron and spin transport in molecular devices. This thorough evaluation presents a comprehensive overview of current research and its status in the field of molecular electronics, emphasizing the theoretical applications to various device types and including a brief introduction to theoretical methods and their practical implementation plan. The subject matter includes a variety of molecular mechanisms like molecular cables, diodes, transistors, electrical and visual switches, nano detectors, magnetic valve gadgets, inverse electrical resistance gadgets, and electron tunneling exploration. The text discusses both the constraints of the method presented and the potential strategies to address them, with a total of 183 references.

Keywords: chemistry, nanotechnology, quantum, molecule, spin

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Authors: Eunae Lee, Oh-Kuen Kwon, Ki-Sub Kim, Jeong Won Kang

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We investigated the dynamic properties of graphene-nanoribbon (GNR) memory encapsulating graphene-nanoflake (GNF) shuttle in the potential to be applicable as a non-volatile random access memory via molecular dynamics simulations. This work explicitly demonstrates that the GNR encapsulating the GNF shuttle can be applied to nonvolatile memory. The potential well was originated by the increase of the attractive vdW energy between the GNRs when the GNF approached the edges of the GNRs. So the bistable positions were located near the edges of the GNRs. Such a nanoelectromechanical non-volatile memory based on graphene is also applicable to the development of switches, sensors, and quantum computing.

Keywords: graphene nanoribbon, graphene nanoflake, shuttle memory, molecular dynamics

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Authors: Sergey M. Karabanov, Dmitry V. Suvorov

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Magnetically controlled microelectromechanical system (MCMEMS) switches is one of the directions in the field of micropower switching technology. MCMEMS switches are a promising alternative to Hall sensors and reed switches. The most important parameter for MCMEMS is the contact resistance, which should have a minimum value and is to be stable for the entire duration of service life. The value and stability of the contact resistance is mainly determined by the contact coating material. This paper presents the research results of a contact coating based on nanoscale ruthenium films obtained by electrolytic deposition. As a result of the performed investigations, the deposition modes of ruthenium films are chosen, the regularities of the contact resistance change depending on the number of contact switching, and the coating roughness are established. It is shown that changing the coating roughness makes it possible to minimize the contact resistance.

Keywords: contact resistance, electrode coating, electrolytic deposition, magnetically controlled MEMS

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Authors: Sergey M. Karabanov, Dmitry V. Suvorov, Dmitry Yu. Tarabrin

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The operating principle of magnetically controlled microelectromechanical system (MEMS) switches is based on controlling the beam movement under the influence of a magnetic field. Currently, there is a MEMS switch design with a flexible ferromagnetic electrode in the form of a fixed-terminal beam, with an electrode fastened on a straight or cranked anchor. The basic performance characteristics of magnetically controlled MEMS switches (service life, sensitivity, contact resistance, fast response) are largely determined by the flexible electrode design. To ensure the stable and controlled motion of the flexible electrode, it is necessary to provide the optimal design of a flexible electrode.

Keywords: flexible electrode, magnetically controlled MEMS, mathematical modeling, mechanical stress

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Authors: Seung Yoon Hyun, Hyeong Seung An, Myeong Ho Choi, Sung Hwan Bae, Yu Jong Sim

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In 2015, the southern part of the Korean Peninsula has 8.6 million poles, 1.25 million km power lines, and 2 million transformers, etc. It is the massive amount of distribution equipments which could cover a round-trip distance from the earth to the moon and 11 turns around the earth. These distribution equipments are spread out like capillaries and supplying power to every corner of the Korean Peninsula. In order to manage these huge power facility efficiently, KEPCO use DAS (Distribution Automation System) to operate distribution power system since 1997. DAS is integrated system that enables to remotely supervise and control breakers and switches on distribution network. Using DAS, we can reduce outage time and power loss. KEPCO has about 160,000 switches, 50%(about 80,000) of switches are automated, and 41 distribution center monitoring&control these switches 24-hour 365 days to get the best efficiency of distribution networks. However, the rapid increasing renewable energy sources become the problem in the efficient operation of distributed power system. (currently 2,400 MW, 75,000 generators operate in distribution power system). In this paper, it suggests the way to interconnect between renewable energy source and distribution power system.

Keywords: distribution, renewable, connect, DAS (Distribution Automation System)

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Authors: Der-Feng Guo

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Optoelectronic switches have attracted a considerable attention in the semiconductor research field due to their potential applications in optical computing systems and optoelectronic integrated circuits (OEICs). With high gains and high-speed operations, npn heterostructures can be used to produce promising optoelectronic switches. It is known that the bulk barrier and heterostructure-induced potential spike act important roles in the characteristics of the npn heterostructures. To investigate the effects of bulk barrier and potential spike heights on the optoelectronic switching of the npn heterostructures, GaAs/InGaP and AlGaAs/GaAs/InAlGaP npn heterostructural optoelectronic switches (HSOSs) have been fabricated in this work. It is seen that the illumination decreases the switching voltage Vs and increases the switching current Is, and thus the OFF state is under dark and ON state under illumination in the optical switching of the GaAs/InGaP HSOS characteristics. But in the AlGaAs/GaAs/InAlGaP HSOS characteristics, the Vs and Is present contrary trends, and the OFF state is under illumination and ON state under dark. The studied HSOSs show quite different switching variations with incident light, which are mainly attributed to the bulk barrier and potential spike heights affected by photogenerated carriers.

Keywords: bulk barrier, heterostructure, optoelectronic switch, potential spike

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Authors: Elmahdi Mohammadine, Ahouzi Esmail, Najid Abdellah

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This contribution aims to present a new protected hybrid WDM/TDM PON architecture using Wavelength Selective Switches and Optical Line Protection devices. The objective from using these technologies is to improve flexibility and enhance the protection of GPON networks.

Keywords: Wavlenght Division Multiplexed Passive Optical Network (WDM-PON), Time Division Multiplexed PON (TDM-PON), architecture, Protection, Wavelength Selective Switches (WSS), Optical Line Protection (OLP)

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Authors: Syakirin O. Yong, Nasrudin A. Rahim, Bilal M. Eid, Buray Tankut

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The aim of this paper is to develop an ultra-fast gate driver for Silicon Carbide (SiC) based switching device applications such as AC/DC DC/AC converters. Wide bandgap semiconductors such as SiC switches are growing rapidly nowadays due to their numerous capabilities such as faster switching, higher power density and higher voltage level. Wide band-gap switches can work properly on high frequencies such 50-250 kHz which is very useful for many power electronic applications such as solar inverters. Increasing the frequency minimizes the output filter size and system complexity however, this causes huge spike between MOSFET’s drain and source leg which leads to the failure of MOSFET if the voltage rating is exceeded. This paper investigates and concludes the optimum design for a gate drive board for SiC MOSFET switches without causing spikes and noises.

Keywords: PV system, lithium-ion, charger, constant current, constant voltage, renewable energy

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Authors: Christina Eleftheria Tzeliou, Demeter Tzeli

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Introduction: Molecular Logic Gates (MLGs) are molecular machines that can perform complex work, such as solving logic operations. Molecular switches, which are molecules that can experience chemical changes are examples of successful types of MLGs. Recently, Quintana-Romero and Ariza-Castolo studied experimentally six stable pseudo-hemi-indigo-derived MLGs capable of solving complex logic operations. The MLG design relies on a molecular switch that experiences Z and E isomerism, thus the molecular switch's axis has to be a double bond. The hemi-indigo structure was preferred for the assembly of molecular switches due to its interaction with visible light. Z and E pseudo-hemi-indigo isomers can also be utilized for selective isomerization as they have distinct absorption spectra. Methodology: Here, the photophysical properties of pseudo-hemi-indigo derivatives are examined, i.e., derivatives of molecule 1 with anthracene, naphthalene, phenanthrene, pyrene, and pyrrole. In conjunction with some trials that were conducted, the level of theory mentioned subsequently was determined. The structures under study were optimized in both cis and trans conformations at the PBE0/6-31G(d,p) level of theory. The absorption spectra of the structures were calculated at PBE0/DEF2TZVP. In all cases, the absorption spectra of the studied systems were calculated including up to 50 singlet- and triplet-spin excited electronic states. Transition states (cis → cis, cis → trans, and trans → trans) were obtained in cases where it was possible, with PBE0/6-31G(d,p) for the optimization of the transition states and PBE0/DEF2TZVP for the respective absorption spectra. Emission spectra were obtained for the first singlet state of each molecule in cis both and trans conformations in PBE0/DEF2TZVP as well. All studies were performed in chloroform solvent that was added as a dielectric constant and the polarizable continuum model was also employed. Findings: Shifts of up to 25 nm are observed in the absorption spectra due to cis-trans isomerization, while the transition state is shifted up to about 150 nm. The electron density distribution is also examined, where charge transfer and electron transfer phenomena are observed regarding the three excitations of interest, i.e., H-1 → L, H → L and H → L+1. Emission spectra calculations were also carried out at PBE0/DEF2TZVP for the complete investigation of these molecules. Using protonation as input, selected molecules act as MLGs. Conclusion: Theoretical data so far indicate that both cis-trans isomerization, and cis-cis and trans-trans conformer isomerization affect the UV-visible absorption and emission spectra. Specifically, shifts of up to 30 nm are observed, while the transition state is shifted up to about 150 nm in cis-cis isomerization. The computational data obtained are in agreement with available experimental data, which have predicted that the pyrrole derivative is a MLG at 445 nm and 400 nm using protonation as input, while the anthracene derivative is a MLG that operates at 445 nm using protonation as input. Finally, it was found that selected molecules are candidates as MLG using protonation and light as inputs. These MLGs could be used as chemical sensors or as particular intracellular indicators, among several other applications. Acknowledgements: The author acknowledges the Hellenic Foundation for Research and Innovation for the financial support of this project (Fellowship Number: 21006).

Keywords: absorption spectra, DFT calculations, isomerization, molecular logic gates

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Authors: Ali Asghar Memon

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A cautious and astute selection of switching devices used in power electronic converters of a switched reluctance (SR) motor is required. It is a matter of choice of best switching devices with respect to their switching ability rather than fulfilling the number of switches. This paper highlights the computational determination of switching losses comprising of switch-on, switch-off and conduction losses respectively by using experimental data in simulation model of a SR machine. The finding of this research is helpful for proper selection of electronic switches and suitable converter topology for switched reluctance motor.

Keywords: converter, operating modes, switched reluctance motor, switching losses

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Authors: M. Abou Al-alaa, H. A. Elsadek, E. A. Abdallah, E. A. Hashish

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A square patch antenna with both frequency and polarization reconfigurability is presented. The antenna consists of a square patch with coplanar feed on the ground plane. On the patch side, there is a parasitic square ring that is responsible for changing the antenna polarization. On the ground plane, there is a rectangular slot. By changing of length of this slot, the antenna resonance frequency can be changed. The antenna operates at 1.57 and 2.45 GHz that used in GPS and Bluetooth applications, respectively. The length of the slot in the proposed antenna is 40 mm, and the antenna operates at the lower frequency (1.57 GHz). By using switches in the ground plane the slot length can be adjust to 24 mm, so the antenna operates at upper frequency (2.45 GHz). Two switches are mounted on the parasitic ring at optimized positions. By switching between the different states of these two switches, the proposed antenna operates with linear polarization (LP) and circular polarization (CP) at each operating frequency. The antenna gain at 1.57 and 2.45 GHz are 5.9 and 7.64 dBi, respectively. The antenna is analyzed using the CST Microwave Studio. The proposed antenna was fabricated and measured. Results comparison shows good agreement. The antenna has applications in several wireless communication systems.

Keywords: microstrip patch antenna, reconfigurable antenna, frequency reconfigurability, polarization reconfigurability, parasitic square ring, linear polarization, circular polarization

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Authors: Zafar Mahmood, Surayya Naz, Nazir Shah Khattak

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The degree of freedom relates to our capability to observe or model the energy paths within the system. Higher the number of energy paths being modeled leaves to us a higher degree of freedom, but increasing the time and modeling complexity rendering it useless for today’s world’s need for minimum time to market. Since the number of residuals that can be uniquely isolated are dependent on the number of independent outputs of the system, increasing the number of sensors required. The examples of discrete position sensors that may be used to form an array include limit switches, Hall effect sensors, optical sensors, magnetic sensors, etc. Their mechanical design can usually be tailored to fit in the transitional path of an STME in a variety of mechanical configurations. The case studies into multi-sensor system were carried out and actual data from sensors is used to test this generic framework. It is being investigated, how the proper modeling of limit switches as timing sensors, could lead to unified and neutral residual space while keeping the implementation cost reasonably low.

Keywords: low-cost limit sensors, fault diagnostics, Single Throw Mechanical Equipment (STME), parameter estimation, parity-space

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Authors: Narendra Nath Patra

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Several recent studies reinforce the existence of a thick molecular disc in galaxies along with the dynamically cold thin disc. Assuming a two-component molecular disc, we model the disc of NGC 6946 as a four-component system consists of stars, HI, thin disc molecular gas, and thick disc molecular gas in vertical hydrostatic equilibrium. Following, we set up the joint Poisson-Boltzmann equation of hydrostatic equilibrium and solve it numerically to obtain a three-dimensional density distribution of different baryonic components. Using the density solutions and the observed rotation curve, we further build a three-dimensional dynamical model of the molecular disc and consecutively produce simulated CO spectral cube and spectral width profile. We find that the simulated spectral width profiles distinguishably differs for different assumed thick disc molecular gas fraction. Several CO spectral width profiles are then produced for different assumed thick disc molecular gas fractions and compared with the observed one to obtain the best fit thick disc molecular gas fraction profile. We find that the thick disc molecular gas fraction in NGC 6946 largely remains constant across its molecular disc with a mean value of 0.70 +/- 0.09. We also estimate the amount of extra-planar molecular gas in NGC 6946. We find 60% of the total molecular gas is extra-planar at the central region, whereas this fraction reduces to ~ 35% at the edge of the molecular disc. With our method, for the first time, we estimate the thick disc molecular gas fraction as a function of radius in an external galaxy with sub-kpc resolution.

Keywords: galaxies: kinematics and dynamic, galaxies: spiral, galaxies: structure , ISM: molecules, molecular data

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Authors: Mahdiar Hosseinghadiry, Razali Ismail, F. Fotovati

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One of the most important and challenging tasks in testing network-on-chip based system-on-chips (NoC based SoCs) is to verify the communication entity. It is important because of its usage for transferring both data packets and test patterns for intellectual properties (IPs) during normal and test mode. Hence, ensuring of NoC reliability is required for reliable IPs functionality and testing. On the other hand, it is challenging due to the required time to test it and the way of transferring test patterns from the tester to the NoC components. In this paper, two testing techniques for mesh-based NoC interconnections are proposed. The first one is based on one-by-one testing and the second one divides NoC interconnects into three parts, horizontal links of switches in even columns, horizontal links of switches in odd columns and all vertical. A design for testability (DFT) architecture is represented to send test patterns directly to each switch under test and also support the proposed testing techniques by providing a loopback path in each switch. The simulation results shows the second proposed testing mechanism outperforms in terms of test time because this method test all the interconnects in only three phases, independent to the number of existed interconnects in the network, while test time of other methods are highly dependent to the number of switches and interconnects in the NoC.

Keywords: on chip, interconnection testing, horizontal-vertical testing, enhanced unicast

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Authors: Jeoungsu Na, Jaehawn Lee, Changil Hong, Suhee Kim

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A molecular dynamics simulation in a converging-diverging nozzle was performed to study molecular collisions and their influence to average flow velocity according to a variety of vacuum levels. The static pressures and the dynamic pressure exerted by the molecule collision on the selected walls were compared to figure out the intensity variances of the directional flows. With pressure differences constant between the entrance and the exit of the nozzle, the numerical experiment was performed for molecular velocities and directional flows. The result shows that the velocities increased at the nozzle exit as the vacuum level gets higher in that area because less molecular collisions.

Keywords: cavitation, molecular collision, nozzle, vacuum, velocity increase

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Authors: S.Pandeeswari, Raju Padma

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In this paper a new solution to implement and control single-stage electronic ballast based on the integration of a buck-boost power factor correction stage and a half bridge resonant inverter is presented. The control signals are obtained using the inverter resonant current by means of a saturable transformer. Core saturation is used to control the required dead time between the control pulses on both switches. The turn-on time of one of the inverter switches is controlled to provide proper cathode preheating during the lamp ignition process. No special integrated circuits are required to control the ballast and the total number of components is minimized. Analysis and basic design of phase cut dimmer.

Keywords: MOSFET dimmer, PIC 16F877A, voltage regulator, bridge rectifier

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Authors: Jae-Jeong Kim, Ki-Ro Kim, Hyoung-Kyu Song

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In this paper, we propose an efficient signal detector that switches M parameter of QRD-M detection scheme is proposed for MIMO-OFDM system. The proposed detection scheme calculates the threshold by 1-norm condition number and then switches M parameter of QRD-M detection scheme according to channel information. If channel condition is bad, the parameter M is set to high value to increase the accuracy of detection. If channel condition is good, the parameter M is set to low value to reduce complexity of detection. Therefore, the proposed detection scheme has better trade off between BER performance and complexity than the conventional detection scheme. The simulation result shows that the complexity of proposed detection scheme is lower than QRD-M detection scheme with similar BER performance.

Keywords: MIMO-OFDM, QRD-M, channel condition, BER

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Authors: Adel Belayadi, Ahmed Mougari, Boualem Bourahla

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Molecular junctions are currently considered a promising style in the miniaturization of electronic devices. In this contribution, we provide a tight-binding model to investigate the quantum transport properties across-molecular junctions sandwiched between 2D-graphene nanoribbons in the zigzag direction. We investigate, in particular, the effect of embedded atoms such as Gold and Silicon across the molecular junction. The results exhibit a resonance behavior in terms of incident Fermi levels, depending on the molecular junction type. Additionally, the transport properties under a perpendicular magnetic field exhibit an oscillation for the transmittance versus the magnetic field strength.

Keywords: molecular junction, 2D-graphene nanoribbons, quantum transport properties, magnetic field

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Authors: Mansi Srivastava, Uzma Saqib, Adnan Naim, Anjali Roy, Dongfang Liu, Deepak Bhatnagar, Ravinder Ravinder, Mirza S. Baig

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Macrophages polarize to proinflammatory M1 or anti-inflammatory M2 states with distinct physiological functions. This transition within the M1 to M2 phenotypes decides the nature, duration, and severity of an inflammatory response. However, inspite of a substantial understanding of the fate of these phenotypes, the underlying molecular mechanisms are not well understood. We have investigated the role of Neuronal nitric oxide synthase (NOS1) mediated regulation of Activator protein 1 (AP-1) transcription factor in macrophages as a critical effector of macrophage phenotypic change. Activator protein 1 (AP-1) is a group of dimeric transcription factors composed of jun, Fos, and ATF family proteins. We determined that NOS1-derived nitric oxide (NO) facilitate Fos and jun interaction which induces IL12 & IL23 expression. Pharmacological inhibition of NOS1 inhibits Fos and jun interaction but increases ATF2 and Fos dimerization. Switching of Fos and jun dimer to ATF2 and jun dimerization switches phenotype from IL–12high IL-23high IL-10low to IL–12low IL-23lowIL-10high phenotype, respectively. Together, these findings highlight a key role of the TLR4-NOS1-AP1 signaling axis in regulating macrophage polarization.

Keywords: inflammation, macrophage, lipopolysaccharide (LPS), proinflammatory cytokines, activator protein 1 (AP-1), neuronal nitric oxide synthase (NOS1)

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Authors: Diana Larisa Vladoiu, Vasile Ostafe, Adriana Isvoran

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Molecular docking calculations reveal that pesticides provide favorable interactions with the bacterial chitinases. Pesticides interact with both hydrophilic and aromatic residues involved in the active site of the enzymes, their positions partially overlapping the substrate and the inhibitors locations. Molecular docking outcomes, in correlation with experimental literature data, suggest that the pesticides may be degraded or having an inhibitor effect on the activity of these enzymes, depending of the application dose and rate.

Keywords: chitinases, inhibition, molecular docking, pesticides

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Authors: R. Mohan, V. Jadhav, A. Ahmed, J. Rivas, A. Kelkar

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Cementitious materials are an excellent example of a composite material with complex hierarchical features and random features that range from nanometer (nm) to millimeter (mm) scale. Multi-scale modeling of complex material systems requires starting from fundamental building blocks to capture the scale relevant features through associated computational models. In this paper, molecular dynamics (MD) modeling is employed to predict the effect of plasticizer additive on the mechanical properties of key hydrated cement constituent calcium-silicate-hydrate (CSH) at the molecular, nanometer scale level. Due to complexity, still unknown molecular configuration of CSH, a representative configuration widely accepted in the field of mineral Jennite is employed. The effectiveness of the Molecular Dynamics modeling to understand the predictive influence of material chemistry changes based on molecular/nanoscale models is demonstrated.

Keywords: cement composite, mechanical properties, molecular dynamics, plasticizer additives

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Authors: P. Satish Kumar, V. Ramu, K. Ramakrishna

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In this paper, an efficient multilevel wave form synthesis technique is proposed and applied to a 99-level inverter. The basic principle of the proposed scheme is that the continuous output voltage levels can be synthesized by the addition or subtraction of the instantaneous voltages generated from different voltage levels. This synthesis technique can be realized by an array of switching devices composing full-bridge inverter modules and proper mixing of each bi-directional switch modules. The most different aspect, compared to the conventional approach, in the synthesis of the multilevel output waveform is the utilization of a combination of bidirectional switches and full bridge inverter modules with reduced number of components. A 99-level inverter consists of three full-bridge modules and six bi-directional switch modules. The validity of the proposed scheme is verified by the simulation.

Keywords: cascaded connection, multilevel inverter, synthesis, total harmonic distortion

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Authors: Gopinath Rathod, Vinod Puranik

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Growing business recognizes environmental consciousness as an important concept for survival in the competitive scenario. Environmental consciousness is a critical intersection between manufacturing and product design processes with environmental issues and concerns. This article presents a project in which quality function deployment (QFD) for environment (ECQFD) has been applied to rotary switches for enabling environmentally conscious design in the early stage of product development. ECQFD is capable of handling simultaneously the environmental and traditional product quality requirements. ECQFD consists of four phases. ECQFD phases I and II are concerned with the identification of parts that are important in enhancing environmental consciousness. ECQFD phases III and IV are concerned with the evaluation of effect of design improvement on environmental quality requirements. The case study has been practically validated which indicated the receptivity of applying ECQFD in industrial scenario.

Keywords: quality function deployment, environment, product design, design for environment, rotary switches

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Authors: Monisha Isaac

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Use of molecular markers for selecting plants with desired traits has been started long back. Due to their heritable characteristics, they are useful for identification and characterization of specific genotypes. The study involves various types of molecular markers used to select multiple desired characters in plants, their properties, and advantages to improve crop productivity in adverse climatological conditions for the purpose of providing food security to fast-growing global population. The study shows that genetic similarities obtained from molecular markers provide more accurate information and the genetic diversity can be better estimated from the genetic relationship obtained from the dendrogram. The information obtained from markers assisted characterization is more suitable for the crops of economic importance like sugarcane.

Keywords: molecular markers, crop productivity, genetic diversity, genotype

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Authors: Bernardo Cedano, Ahmed H. Eltom, Bob Hay, Jim Glass, Raga Ahmed

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The deployment of smart grid devices such as smart meters and smart switches (SS) supported by a reliable and fast communications system makes automated distribution possible, and thus, provides great benefits to electric power consumers and providers alike. However, more research is needed before the full utility of smart switch data is realized. This paper presents new automated switching techniques using SS within the electric power grid. A concise background of the SS is provided, and operational examples are shown. Organization and presentation of data obtained from SS are shown in the context of the future goal of total automation of the distribution network. The description of application techniques, the examples of success with SS, and the vision outlined in this paper serve to motivate future research pertinent to disturbance analysis automation.

Keywords: disturbance automation, electric power grid, smart grid, smart switches

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Authors: Angana Bhattacharya, Rakesh Sarkar, Gagan Kumar

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Toroidal resonances, a new class of electromagnetic excitations, demonstrate exceptional properties as compared to electric and magnetic dipolar resonances. The advantage of narrow linewidth in toroidal resonance is utilized in this proposed work, where a bilayer metamaterial (MM) sensor has been designed in the terahertz frequency regime (THz). A toroidal MM geometry in a single layer is first studied. A second identical MM geometry placed on top of the first layer results in the coupling of toroidal excitations, leading to an increase in the quality factor (Q) of the resonance. The sensing capability of the resonance is studied. Further, the dynamic switching from an 'off' stage to an 'on' stage in the bilayer configuration is explored. The ardent study of such toroidal bilayer MMs could provide significant potential in the development of bio-molecular and chemical sensors, switches, and modulators.

Keywords: toroidal resonance, bilayer, metamaterial, terahertz, sensing, switching

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Authors: Ferid Hammami

Abstract:

The molecular geometries of the possible conformations of pyruvic acid-water complexes (PA-(H₂O)ₙ = 1- 4) have been fully optimized at DFT/B3LYP/6-311G ++ (d, p) levels of calculation. Among several optimized molecular clusters, the most stable molecular arrangements obtained when one, two, three, and four water molecules are hydrogen-bonded to a central pyruvic acid molecule are presented in this paper. Apposite topological and geometrical parameters are considered as primary indicators of H-bond strength. Atoms in molecules (AIM) analysis shows that pyruvic acid can form a ring structure with water, and the molecular structures are stabilized by both strong O-H...O and C-H...O hydrogen bonds. In large clusters, classical O-H...O hydrogen bonds still exist between water molecules, and a cage-like structure is built around some parts of the central molecule of pyruvic acid. The electrostatic potential energy map (MEP) and the HOMO-LUMO molecular orbital (highest occupied molecular orbital-lowest unoccupied molecular orbital) analysis has been performed for all considered complexes.

Keywords: pyruvic acid, PA-water complex, hydrogen bonding, DFT, AIM, MEP, HOMO-LUMO

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