Search results for: Quantum Algebra

Authors: D. Krishnaveni, M. Geetha Priya

Abstract:

Application of reversible logic in integrated circuits results in the improved optimization of power consumption. This technology can be put into use in a variety of low power applications such as quantum computing, optical computing, nano-technology, and Complementary Metal Oxide Semiconductor (CMOS) Very Large Scale Integrated (VLSI) design etc. Logic gates are the basic building blocks in the design of any logic network and thus integrated circuits. In this paper, reversible Dual Key Gate (DKG) and Dual key Gate Pair (DKGP) gates that work singly as full adder/full subtractor are used to realize the basic building blocks of logic circuits. Reversible full adder/subtractor and parallel adder/ subtractor are designed using other reversible gates available in the literature and compared with that of DKG & DKGP gates. Efficient performance of reversible logic circuits relies on the optimization of the key parameters viz number of constant inputs, garbage outputs and number of reversible gates. The full adder/subtractor and parallel adder/subtractor design with reversible DKGP and DKG gates results in least number of constant inputs, garbage outputs, and number of reversible gates compared to the other designs. Thus, this paper provides a threshold to build more complex arithmetic systems using these reversible logic gates, leading to the enhanced performance of computing systems.

Keywords: Low power CMOS, quantum computing, reversible logic gates, full adder, full subtractor, parallel adder/subtractor, basic gates, universal gates.

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Authors: N. Neysani Samany, M.R. Delavar, N. Chrisman, M.R. Malek

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Location-aware computing is a type of pervasive computing that utilizes user-s location as a dominant factor for providing urban services and application-related usages. One of the important urban services is navigation instruction for wayfinders in a city especially when the user is a tourist. The services which are presented to the tourists should provide adapted location aware instructions. In order to achieve this goal, the main challenge is to find spatial relevant objects and location-dependent information. The aim of this paper is the development of a reusable location-aware model to handle spatial relevancy parameters in urban location-aware systems. In this way we utilized ontology as an approach which could manage spatial relevancy by defining a generic model. Our contribution is the introduction of an ontological model based on the directed interval algebra principles. Indeed, it is assumed that the basic elements of our ontology are the spatial intervals for the user and his/her related contexts. The relationships between them would model the spatial relevancy parameters. The implementation language for the model is OWLs, a web ontology language. The achieved results show that our proposed location-aware model and the application adaptation strategies provide appropriate services for the user.

Keywords: Spatial relevancy, Context-aware, Ontology, Modeling

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Authors: Jian Du, Shui Hong Hong, Lu Meng, Qing Wei Meng

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This work addresses the problem of optimizing completely batch water-using network with multiple contaminants where the flow change caused by mass transfer is taken into consideration for the first time. A mathematical technique for optimizing water-using network is proposed based on source-tank-sink superstructure. The task is to obtain the freshwater usage, recycle assignments among water-using units, wastewater discharge and a steady water-using network configuration by following steps. Firstly, operating sequences of water-using units are determined by time constraints. Next, superstructure is simplified by eliminating the reuse and recycle from water-using units with maximum concentration of key contaminants. Then, the non-linear programming model is solved by GAMS (General Algebra Model System) for minimum freshwater usage, maximum water recycle and minimum wastewater discharge. Finally, numbers of operating periods are calculated to acquire the steady network configuration. A case study is solved to illustrate the applicability of the proposed approach.

Keywords: Completely batch process, flow change, multiple contaminants, water-using network.

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Authors: Abdoulaye Diop, Nahid Emad, Thierry Winter, Mohamed Hilia

Abstract:

Data assets protection is a crucial issue in the cybersecurity field. Companies use logical access control tools to vault their information assets and protect them against external threats, but they lack solutions to counter insider threats. Nowadays, insider threats are the most significant concern of security analysts. They are mainly individuals with legitimate access to companies information systems, which use their rights with malicious intents. In several fields, behavior anomaly detection is the method used by cyber specialists to counter the threats of user malicious activities effectively. In this paper, we present the step toward the construction of a user and entity behavior analysis framework by proposing a behavior anomaly detection model. This model combines machine learning classification techniques and graph-based methods, relying on linear algebra and parallel computing techniques. We show the utility of an ensemble learning approach in this context. We present some detection methods tests results on an representative access control dataset. The use of some explored classifiers gives results up to 99% of accuracy.

Keywords: Cybersecurity, data protection, access control, insider threat, user behavior analysis, ensemble learning, high performance computing.

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Authors: Zeitoun D. G., Thierry Dana-Picard

Abstract:

The study of a real function of two real variables can be supported by visualization using a Computer Algebra System (CAS). One type of constraints of the system is due to the algorithms implemented, yielding continuous approximations of the given function by interpolation. This often masks discontinuities of the function and can provide strange plots, not compatible with the mathematics. In recent years, point based geometry has gained increasing attention as an alternative surface representation, both for efficient rendering and for flexible geometry processing of complex surfaces. In this paper we present different artifacts created by mesh surfaces near discontinuities and propose a point based method that controls and reduces these artifacts. A least squares penalty method for an automatic generation of the mesh that controls the behavior of the chosen function is presented. The special feature of this method is the ability to improve the accuracy of the surface visualization near a set of interior points where the function may be discontinuous. The present method is formulated as a minimax problem and the non uniform mesh is generated using an iterative algorithm. Results show that for large poorly conditioned matrices, the new algorithm gives more accurate results than the classical preconditioned conjugate algorithm.

Keywords: Function singularities, mesh generation, point allocation, visualization, collocation least squares method, Augmented Lagrangian method, Uzawa's Algorithm, Preconditioned Conjugate Gradien

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Authors: Wei-Chih Su, Kuan-Peng Chen, Ming-Chung Tsai, Zheng-Yao Su

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A new decomposition form is introduced in this report to establish a criterion for the bi-partite separability of Bell diagonal states. A such criterion takes a quadratic inequality of the coefficients of a given Bell diagonal states and can be derived via a simple algorithmic calculation of its invariants. In addition, the criterion can be extended to a quantum system of higher dimension.

Keywords: decomposition, bipartite separability, Bell diagonal states.

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Authors: Mohammed Meziani, Pierre-Louis Cayrel

Abstract:

In this paper we propose two first non-generic constructions of multisignature scheme based on coding theory. The first system make use of the CFS signature scheme and is secure in random oracle while the second scheme is based on the KKS construction and is a few times. The security of our construction relies on a difficult problems in coding theory: The Syndrome Decoding problem which has been proved NP-complete [4].

Keywords: Post-quantum cryptography, Coding-based cryptography, Digital signature, Multisignature scheme.

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Authors: Pierre-Louis Cayrel, Sidi Mohamed El Yousfi Alaoui

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In this paper, we propose a dual version of the first threshold ring signature scheme based on error-correcting code proposed by Aguilar et. al in [1]. Our scheme uses an improvement of Véron zero-knowledge identification scheme, which provide smaller public and private key sizes and better computation complexity than the Stern one. This scheme is secure in the random oracle model.

Keywords: Stern algorithm, Véron algorithm, threshold ring signature, post-quantum cryptography.

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Authors: Sanaz Gharehzadeh Shirazi, Subira Gharehzadeh Shirazi, Fariba Jafari

Abstract:

The present article comprises a theoretical study of structures Performat radical (HCO3) with H2O molecule. We make use of ab initio quantum chemical methods. Unrestricted Hartee-Fock (UHF) with the basis set6-311+g(2df,2p) and density functional theory (B3LYP) with the basis set 6-311+g(2df,2p) and also we done atoms in molecules (AIM) theory for them. We have found four stable geometries the PerformatRadical(HCO3) with H2O.

Keywords: Hydrogen binding, Performat Radical, Water, Gaussian, Atoms in molecules (AIM) theory

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Authors: Aziza Altaibayeva, Ertan Gudekli, Ratbay Myrzakulov

Abstract:

In this letter, we explore exact solutions for the Horava-Lifshitz gravity. We use of an extension of this theory with first order dynamical lapse function. The equations of motion have been derived in a fully consistent scenario. We assume that there are some spherically symmetric families of exact solutions of this extended theory of gravity. We obtain exact solutions and investigate the singularity structures of these solutions. Specially, an exact solution with the regular horizon is found.

Keywords: Quantum gravity, Horava-Lifshitz gravity, black hole, spherically symmetric space times.

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Authors: Arash Kosari, Ali Araghi

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A mathematical model for an optical-fiber communication channel is developed which results in an expression that calculates the throughput and loss of the corresponding link. The data are assumed to be transmitted by using of separate photons with different polarizations. The derived model also shows the dependency of data throughput with length of the channel and depolarization factor. It is observed that absorption of photons affects the throughput in a more intensive way in comparison with that of depolarization. Apart from that, the probability of depolarization and the absorption of radiated photons are obtained.

Keywords: Absorption, data throughput, depolarization, optical fiber.

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Authors: Sérgio F. Sousa, Nuno M. F. S. A. Cerqueira, Marta A. S. Perez, Irina S. Moreira, António J. M.Ribeiro, Ana R. A. P. Neves, Maria J. Ramos, Pedro A. Fernandes

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In this work we report the recent progresses that have been achieved by our group in the last half decade on the field of computational proteomics. Specifically, we discuss the application of Molecular Dynamics Simulations and Electronic Structure Calculations in drug design, in the clarification of the structural and dynamic properties of proteins and enzymes and in the understanding of the catalytic and inhibition mechanism of cancer-related enzymes. A set of examples illustrate the concepts and help to introduce the reader into this important and fast moving field.

Keywords: Enzyme, Molecular Dynamics, Protein, Quantum Mechanics.

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Authors: Azam Anaraki Firooz, Ali Reza Mahjoub, Reza Donyaei Ziba

Abstract:

A simple and dexterous in situ method was introduced to load CdS nanocrystals into organofunctionalized mesoporous, which used an ion-exchange method. The products were extensively characterized by combined spectroscopic methods. X- ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM) demonstrated both the maintenance of pore symmetry (space group p6mm) of SBA-15 and the presence of CdS nanocrystals with uniform sizes of about 6 - 8 nm inside the functionalized SBA-15 channels. These mesoporous silica-supported CdS composites showed room temperature photoluminescence properties with a blue shift, indicating the quantum size effect of nanocrystalline CdS.

Keywords: Semiconductors, luminescence, mesoporous material, CdS.

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Authors: S. Joshi, D. Pant

Abstract:

Absorption and fluorescence spectra of quinine sulphate (QSD) have been recorded at room temperature in wide range of solvents of different polarities. The ground-state dipole moment of QSD was obtained from quantum mechanical calculations and the excited state dipole moment of QSD was estimated from Bakhshiev-s and Kawski-Chamma-Viallet-s equations by means of solvatochromic shift method. Higher value of dipole moment is observed for excited state as compared to the corresponding ground state value and this is attributed to the more polar excited state of QSD.

Keywords: Dipole moment, Quinine sulphate dication, Solvatochromic shift

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Authors: J. Urbánek Jiří, Krahulec Josef, Johanidesová Jitka, F. Urbánek Jiří

Abstract:

This paper deals with using of prevailing operation system MS Office (SmartArt...) for mathematical models, using DYVELOP (Dynamic Vector Logistics of Processes) method. It serves for crisis situations investigation and modelling within the organizations of critical infrastructure. In first part of paper, it will be introduced entities, operators, and actors of DYVELOP method. It uses just three operators of Boolean algebra and four types of the entities: the Environments, the Process Systems, the Cases, and the Controlling. The Process Systems (PrS) have five “brothers”: Management PrS, Transformation PrS, Logistic PrS, Event PrS and Operation PrS. The Cases have three “sisters”: Process Cell Case, Use Case, and Activity Case. They all need for the controlling of their functions special Ctrl actors, except ENV – it can do without Ctrl. Model´s maps are named the Blazons and they are able mathematically - graphically express the relationships among entities, actors and processes. In second part of this paper, the rich blazons of DYVELOP method will be used for the discovering and modelling of the cycling cases and their phases. The blazons need live PowerPoint presentation for better comprehension of this paper mission. The crisis management of energetic crisis infrastructure organization is obliged to use the cycles for successful coping of crisis situations. Several times cycling of these cases is necessary condition for the encompassment for both emergency events and the mitigation of organization´s damages. Uninterrupted and continuous cycling process brings for crisis management fruitfulness and it is good indicator and controlling actor of organizational continuity and its sustainable development advanced possibilities. The research reliable rules are derived for the safety and reliable continuity of energetic critical infrastructure organization in the crisis situation.

Keywords: Blazons, computational assistance, DYVELOP method, critical infrastructure.

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Authors: M. Saravi, F. Ashrafi, S.R. Mirrajei

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As we know, most differential equations concerning physical phenomenon could not be solved by analytical method. Even if we use Series Method, some times we need an appropriate change of variable, and even when we can, their closed form solution may be so complicated that using it to obtain an image or to examine the structure of the system is impossible. For example, if we consider Schrodinger equation, i.e., We come to a three-term recursion relations, which work with it takes, at least, a little bit time to get a series solution[6]. For this reason we use a change of variable such as or when we consider the orbital angular momentum[1], it will be necessary to solve. As we can observe, working with this equation is tedious. In this paper, after introducing Clenshaw method, which is a kind of Spectral method, we try to solve some of such equations.

Keywords: Chebyshev polynomials, Clenshaw method, ODEs, Spectral methods

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Authors: A. Maitarad, P. Maitarad

Abstract:

In order to find the particular interaction energy between cylcloguanil and the amino acids surrounding the pocket of wild type and quadruple mutant type PfDHFR enzymes, the MP2 method with basis set 6-31G(d,p) level of calculations was performed. The obtained interaction energies found that Asp54 has the strongest interaction energy to both wild type and mutant type of - 12.439 and -11.250 kcal/mol, respectively and three amino acids; Asp54, Ile164 and Ile14 formed the H-bonding with cycloguanil drug. Importantly, the mutation at Ser108Asn was the key important of cycloguanil resistant with showing repulsive interaction energy.

Keywords: Cycloguanil, DHFR, malaria disease, interactionenergy, quantum calculations

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Authors: Olga Gimeno, Javier Rivas, Angel Encinas, Fernando Beltran

Abstract:

The elimimation of mefenamic acid has been carried out by photolysis, ozonation, adsorption onto activated carbon (AC) and combinations of the previous single systems (O3+AC and O3+UV). The results obtained indicate that mefenamic acid is not photo-reactive, showing a relatively low quantum yield of the order of 6 x 10-4 mol Einstein-1. Application of ozone to mefenamic aqueous solutions instantaneously eliminates the pharmaceutical, achieving simultaneously a 40% of mineralization. Addition of AC to the ozonation process does not enhance the process, moreover, mineralization is completely inhibited if compared to results obtained by single ozonation. The combination of ozone and UV radiation led to the best results in terms of mineralization (60% after 120 min).

Keywords: Photolysis, mefenamic acid, ozone, activated carbon.

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Authors: Hailong Zhu, Zhaoxiang Li

Abstract:

Semilinear elliptic equations are ubiquitous in natural sciences. They give rise to a variety of important phenomena in quantum mechanics, nonlinear optics, astrophysics, etc because they have rich multiple solutions. But the nontrivial solutions of semilinear equations are hard to be solved for the lack of stabilities, such as Lane-Emden equation, Henon equation and Chandrasekhar equation. In this paper, bifurcation method is applied to solving semilinear elliptic equations which are with homogeneous Dirichlet boundary conditions in 2D. Using this method, nontrivial numerical solutions will be computed and visualized in many different domains (such as square, disk, annulus, dumbbell, etc).

Keywords: Semilinear elliptic equations, positive solutions, bifurcation method, isotropy subgroups.

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Authors: J. J. Peña, J. Morales, J. García-Ravelo, L. Arcos-Díaz

Abstract:

The Point canonical transformation method is applied for solving the Schrödinger equation with position-dependent mass. This class of problem has been solved for continuous mass distributions. In this work, a staggered mass distribution for the case of a free particle in an infinite square well potential has been proposed. The continuity conditions as well as normalization for the wave function are also considered. The proposal can be used for dealing with other kind of staggered mass distributions in the Schrödinger equation with different quantum potentials.

Keywords: Free particle, point canonical transformation method, position-dependent mass, staggered mass distribution.

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Authors: Nima Es'haghi Gorji, Hossein Movla, Foozieh Sohrabi, Alireza Mottaghizadeh, Mohammad Houshmand, Hassan Babaei, Arash Nikniazi

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For a determined intermediate band position, the effects of electron filling factor and sunlight concentration on the active region thickness and efficiency of the quantum-dot intermediate band solar cell are calculated. For each value of electron filling factor, the maximum point of efficiency obtained and resulted in the optimum thickness of the cell under three different sunlight concentrations. We show the importance of filling factor as a parameter to be more considered. The photon recycling effect eliminated in all calculations.

Keywords: Intermediate band, Sunlight concentration, Efficiency limits, Electron filling factor

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Authors: J. Davoodi , J. Moradi

Abstract:

The aim of this research was to calculate the mechanical properties of Pd3Rh and PdRh3 ordered alloys. The molecular dynamics (MD) simulation technique was used to obtain temperature dependence of the energy, the Yong modulus, the shear modulus, the bulk modulus, Poisson-s ratio and the elastic stiffness constants at the isobaric-isothermal (NPT) ensemble in the range of 100-325 K. The interatomic potential energy and force on atoms were calculated by Quantum Sutton-Chen (Q-SC) many body potential. Our MD simulation results show the effect of temperature on the cohesive energy and mechanical properties of Pd3Rh as well as PdRh3 alloys. Our computed results show good agreement with the experimental results where they have been available.

Keywords: Pd-Rh alloy; Mechanical properties; Moleculardynamics simulation

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Authors: A. Kerfah, K. Taïbi, S. Omeiri, M. Trari.

Abstract:

New lead-free ferroelectric relaxor ceramics were prepared by conventional solid-state synthesis in the BaTiO3-Bi2O3- Y2O3 systems. Some of these ceramics present a ferroelectric relaxor with transition temperature close to room temperature. These new materials are very interesting for applications and can replace leadbased ceramic to prevent the toxic pollutions during the preparation state. In the other hand, the energy band diagram shows the potentiality of these compounds for the solar energy conversion. Thus, some compositions have been tested successfully for H2 production upon visible light. The best activity occurs in alkaline media with a rate evolution of about 0.15 mL g-1 mn-1 and a quantum yield of 1% under polychromatic light.

Keywords: Ferroelectric, Hydrogen production, Lead-free, Photocatalysis.

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Authors: Alexander B. Bichkov, Alla A. Mityureva, Valery V. Smirnov

Abstract:

In present work are considered the scheme of evaluation the transition probability in quantum system. It is based on path integral representation of transition probability amplitude and its evaluation by means of a saddle point method, applied to the part of integration variables. The whole integration process is reduced to initial value problem solutions of Hamilton equations with a random initial phase point. The scheme is related to the semiclassical initial value representation approaches using great number of trajectories. In contrast to them from total set of generated phase paths only one path for each initial coordinate value is selected in Monte Karlo process.

Keywords: Path integral, saddle point method, semiclassical approximation, transition probability

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Authors: Josef Brychta, Jiri Kratochvil, Marek Pagac

Abstract:

The group of progressive cutting materials can include non-traditional, emerging and less-used materials that can be an efficient use of cutting their lead to a quantum leap in the field of machining. This is essentially a “superhard” materials (STM) based on polycrystalline diamond (PCD) and polycrystalline cubic boron nitride (PCBN) cutting performance ceramics and development is constantly "perfecting" fine coated cemented carbides. The latter cutting materials are broken down by two parameters, toughness and hardness. A variation of alloying elements is always possible to improve only one of each parameter. Reducing the size of the core on the other hand doing achieves "contradictory" properties, namely to increase both hardness and toughness.

Keywords: Grained cutting materials difficult to machine materials, optimum utilization.

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Authors: M. K. Moazzam, A. Salmanpour, M. Nirouei

Abstract:

In this paper we have numerically analyzed terahertzrange wavelength conversion using nondegenerate four wave mixing (NDFWM) in a SOA integrated DFB laser (experiments reported both in MIT electronics and Fujitsu research laboratories). For analyzing semiconductor optical amplifier (SOA), we use finitedifference beam propagation method (FDBPM) based on modified nonlinear SchrÖdinger equation and for distributed feedback (DFB) laser we use coupled wave approach. We investigated wavelength conversion up to 4THz probe-pump detuning with conversion efficiency -5dB in 1THz probe-pump detuning for a SOA integrated quantum-well

Keywords: distributed feedback laser, nondegenerate fourwave mixing, semiconductor optical amplifier, wavelengthconversion

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Authors: J. Davoodi, F. Katouzi

Abstract:

The aim of this research was to calculate the thermal properties of Au3Ni Nanowire. The molecular dynamics (MD) simulation technique was used to obtain the effect of radius size on the energy, the melting temperature and the latent heat of fusion at the isobaric-isothermal (NPT) ensemble. The Quantum Sutton-Chen (Q-SC) many body interatomic potentials energy have been used for Gold (Au) and Nickel (Ni) elements and a mixing rule has been devised to obtain the parameters of these potentials for nanowire stats. Our MD simulation results show the melting temperature and latent heat of fusion increase upon increasing diameter of nanowire. Moreover, the cohesive energy decreased with increasing diameter of nanowire.

Keywords: Au3Ni Nanowire, Thermal properties, Molecular dynamics simulation

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Authors: Jing-Gang Xie

Abstract:

Scientists are making attempts to solve proton radius puzzle. In this paper, the calculated value matches the experiment observation within 0.1%, compared to those obtained from CODATA, and muonic hydrogen scattering experiments of 4%. The calculation is made based on the assumption that the muonic hydrogen system has (Ep – Eµ) energy state (or frequency mix state of n_p –n_µ), which interacts resonantly with the incoming photon of energy 206.2949(32) meV. A similar calculation is also made for muonic deuterium 2S-2P transition experiment with an accuracy of 1% from the experimental observation. The paper has also explored the theoretical as well as experimentation advancements that have led towards the development of results with lesser deviations.

Keywords: 2s-2p transition, muonic hydrogen, proton radius, scattering experiment, photon, quantum, Lamb shift.

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Authors: Vicente F. P. Aleixo, Augusto C. F. Saraiva, Jordan Del Nero

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The production of devices in nanoscale with specific molecular rectifying function is one of the most significant goals in state-of-art technology. In this work we show by ab initio quantum mechanics calculations coupled with non-equilibrium Green function, the design of an organic two-terminal device. These molecular structures have molecular source and drain with several bridge length (from five up to 11 double bonds). Our results are consistent with significant features as a molecular rectifier and can be raised up as: (a) it can be used as bi-directional symmetrical rectifier; (b) two devices integrated in one (FET with one operational region, and Thyristor thiristor); (c) Inherent stability due small intrinsic capacitance under forward/reverse bias. We utilize a scheme for the transport mechanism based on previous properties of ¤Ç bonds type that can be successfully utilized to construct organic nanodevices.

Keywords: ab initio, Carotenoid, Charge Transfer, Nanodevice

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Authors: F. Javier Benitez, Carolina Garcia, Juan Luis Acero, Francisco J. Real

Abstract:

Four phenylurea herbicides (isoproturon, chlortoluron, diuron and linuron) were dissolved in different water matrices in order to study their chemical degradation by using UV radiation, ozone and some advanced oxidation processes (UV/H2O2, O3/H2O2, Fenton reagent and the photo- Fenton system). The waters used were: ultra-pure water, a commercial mineral water, a groundwater and a surface water taken from a reservoir. Elimination levels were established for each herbicide and for several global quality parameters, and a kinetic study was performed in order to determine basic kinetic parameters of each reaction between the target phenylureas and these oxidizing systems.

Keywords: Phenylurea herbicides, UV radiation; Ozone, Fenton reagent, Hydroxyl radicals, Rate constants, Quantum yields

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