Search results for: quantum kernel

Authors: Arash Kosari, Ali Araghi

Abstract:

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: Mahtab Davari, Charles Edward Okon, Somayeh Aghanavesi

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Every institute of learning is usually interested in the performance of enrolled students. The level of these performances determines the approach an institute of study may adopt in rendering academic services. The focus of this paper is to evaluate students' academic performance in given courses of study using machine learning methods. This study evaluated various supervised machine learning classification algorithms such as Logistic Regression (LR), Support Vector Machine (SVM), Random Forest, Decision Tree, K-Nearest Neighbors, Linear Discriminant Analysis (LDA), and Quadratic Discriminant Analysis, using selected features to predict study performance. The accuracy, precision, recall, and F1 score obtained from a 5-Fold Cross-Validation were used to determine the best classification algorithm to predict students’ performances. SVM (using a linear kernel), LDA, and LR were identified as the best-performing machine learning methods. Also, using the LR model, this study identified students' educational habits such as reading and paying attention in class as strong determinants for a student to have an above-average performance. Other important features include the academic history of the student and work. Demographic factors such as age, gender, high school graduation, etc., had no significant effect on a student's performance.

Keywords: Student performance, supervised machine learning, prediction, classification, cross-validation.

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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

Abstract:

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: Walaa Khalaf, Calogero Pace, Manlio Gaudioso

Abstract:

We present an Electronic Nose (ENose), which is aimed at identifying the presence of one out of two gases, possibly detecting the presence of a mixture of the two. Estimation of the concentrations of the components is also performed for a volatile organic compound (VOC) constituted by methanol and acetone, for the ranges 40-400 and 22-220 ppm (parts-per-million), respectively. Our system contains 8 sensors, 5 of them being gas sensors (of the class TGS from FIGARO USA, INC., whose sensing element is a tin dioxide (SnO2) semiconductor), the remaining being a temperature sensor (LM35 from National Semiconductor Corporation), a humidity sensor (HIH–3610 from Honeywell), and a pressure sensor (XFAM from Fujikura Ltd.). Our integrated hardware–software system uses some machine learning principles and least square regression principle to identify at first a new gas sample, or a mixture, and then to estimate the concentrations. In particular we adopt a training model using the Support Vector Machine (SVM) approach with linear kernel to teach the system how discriminate among different gases. Then we apply another training model using the least square regression, to predict the concentrations. The experimental results demonstrate that the proposed multiclassification and regression scheme is effective in the identification of the tested VOCs of methanol and acetone with 96.61% correctness. The concentration prediction is obtained with 0.979 and 0.964 correlation coefficient for the predicted versus real concentrations of methanol and acetone, respectively.

Keywords: Electronic nose, Least square regression, Mixture ofgases, Support Vector Machine.

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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: S. Firouzi, M.R. Alizadeh, S. Minaei

Abstract:

A study was carried out at the Rice Research Institute of Iran (RRII) to investigate the effect of rollers differential peripheral speed of commercial rubber roll husker and paddy moisture content on the husking index and percentage of broken rice. The experiment was conducted at six levels of rollers differential speed (1.5, 2.2, 2.9, 3.6, 4.3 and 5 m/s) and three levels of paddy moisture content (8-9, 10-11 and 12-13% w.b.). Two common paddy varieties namely, Binam and Khazer, were selected for this study. Results revealed that the effect of rollers differential speed and moisture content significantly (P<0.01) affected percentage of broken brown rice and paddy husking index. Average broken kernel percentage increased from 13 to 14.61% while husking index decreased from 71.64 to 61.81%, as paddy moisture content increased from 8-9 to 12-13%. It was observed that amount of broken rice decreased from 18.83 to 9.97%, when rollers differential speed varied from 1.5 to 5 m/s, while the husking index initially increased and then started to decrease. The mean value of husking index for Khazar variety (64.71%) was significantly lower than that for Binam variety (69.2%). It was concluded that rollers differential speed of 2.9 m/s and moisture content of 8-9% was the most appropriate combination for paddy husking of Binam and Khazar varieties in rubber roll husker.

Keywords: husking index, moisture content, paddy, rubber roll husker.

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Authors: M. Israil Hossain, T. P. Tiwari, Ashrafuzzaman Gulandaz, Nusrat Jahan

Abstract:

Two-wheel tractor (power tiller) is a common tillage tool in Bangladesh agriculture for easy access in fragmented land with affordable price of small farmers. Traditional maize sheller needs to be carried from place to place by hooking with two-wheel tractor (2WT) and set up again for shelling operation which takes longer time for preparation of maize shelling. The mobile maize sheller eliminates the transportation problem and can start shelling operation instantly any place as it is attached together with 2WT. It is counterclockwise rotating cylinder, axial flow type sheller, and grain separated with a frictional force between spike tooth and concave. The maize sheller is attached with nuts and bolts in front of the engine base of 2WT. The operating power of the sheller comes from the fly wheel of the engine of the tractor through ‘V” belt pulley arrangement. The average shelling capacity of the mobile sheller is 2.0 t/hr, broken kernel 2.2%, and shelling efficiency 97%. The average maize shelling cost is Tk. 0.22/kg and traditional custom hire rate is Tk.1.0/kg, respectively (1 US$=Tk.78.0). The service provider of the 2WT can transport the mobile maize sheller long distance in operator’s seating position. The manufacturers started the fabrication of mobile maize sheller. This mobile maize sheller is also compatible for the other countries where 2WT is available for farming operation.

Keywords: Cost effective, mobile maize sheller, maize shelling capacity, small farmers, two-wheel tractor.

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Authors: M. Javanmard

Abstract:

This study was aimed at analyzing the effects of packaging (MAP) and preservation conditions on the packaged fresh walnut kernel quality. The central composite plan was used for evaluating the effect of oxygen (0–10%), carbon dioxide (0-10%), and temperature (4-26 °C) on qualitative characteristics of walnut kernels. Also, the response level technique was used to find the optimal conditions for interactive effects of factors, as well as estimating the best conditions of process using least amount of testing. Measured qualitative parameters were: peroxide index, color, decreased weight, mould and yeast counting test, and sensory evaluation. The results showed that the defined model for peroxide index, color, weight loss, and sensory evaluation is significant (p < 0.001), so that increase of temperature causes the peroxide value, color variation, and weight loss to increase and it reduces the overall acceptability of walnut kernels. An increase in oxygen percentage caused the color variation level and peroxide value to increase and resulted in lower overall acceptability of the walnuts. An increase in CO₂ percentage caused the peroxide value to decrease, but did not significantly affect other indices (p ≥ 0.05). Mould and yeast were not found in any samples. Optimal packaging conditions to achieve maximum quality of walnuts include: 1.46% oxygen, 10% carbon dioxide, and temperature of 4 °C.

Keywords: Shelled walnut, MAP, quality, storage temperature.

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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: Ali Shojaei-Fard

Abstract:

In this paper we consider quantum motion integrals depended on the algebraic reconstruction of BPHZ method for perturbative renormalization in two different procedures. Then based on Bogoliubov character and Baker-Campbell-Hausdorff (BCH) formula, we show that how motion integral condition on components of Birkhoff factorization of a Feynman rules character on Connes- Kreimer Hopf algebra of rooted trees can determine a family of fixed point equations.

Keywords: Birkhoff Factorization, Connes-Kreimer Hopf Algebra of Rooted Trees, Integral Renormalization, Lax Pair Equation, Rota- Baxter Algebras.

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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: Guarry Montrose, Ted Soubdhan

Abstract:

In the fight against climate change, the energy consuming building sector must also be taken into account to solve this problem. In this case thermal insulation of buildings using bio-based materials is an interesting solution. Therefore, the thermal performance of some materials of this type has been studied. The advantages of these natural materials of plant origin are multiple, biodegradable, low economic cost, renewable and readily available. The use of biobased materials is widespread in the building sector in order to replace conventional insulation materials with natural materials. Vegetable fibers are very important because they have good thermal behaviour and good insulating properties. The aim of using bio-sourced materials is in line with the logic of energy control and environmental protection, the approach is to make the inhabitants of the houses comfortable and reduce their energy consumption (energy efficiency). In this research we will present the results of studies carried out on the thermal conductivity of banana leaves, latan leaves, vetivers fibers, palm kernel fibers, sargassum, coconut leaves, sawdust and bulk sugarcane leaves. The study on thermal conductivity was carried out in two ways, on the one hand using the flash method, and on the other hand a so-called hot box experiment was carried out. We will discuss and highlight a number of influential factors such as moisture and air pockets present in the samples on the thermophysical properties of these materials, in particular thermal conductivity. Finally, the result of a thermal performance test of banana leaves on a roof in Haiti will also be presented in this work.

Keywords: Buildings, insulating properties, natural materials of plant origin, thermal performance.

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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

Abstract:

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

Abstract:

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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Authors: Er, A. C., Rosli, M. H., Asmahani A., Mohamad Naim M. R., Harsuzilawati M.

Abstract:

Dengue is a mosquito-borne infection that has peaked to an alarming rate in recent decades. It can be found in tropical and sub-tropical climate. In Malaysia, dengue has been declared as one of the national health threat to the public. This study aimed to map the spatial distributions of dengue cases in the district of Hulu Langat, Selangor via a combination of Geographic Information System (GIS) and spatial statistic tools. Data related to dengue was gathered from the various government health agencies. The location of dengue cases was geocoded using a handheld GPS Juno SB Trimble. A total of 197 dengue cases occurring in 2003 were used in this study. Those data then was aggregated into sub-district level and then converted into GIS format. The study also used population or demographic data as well as the boundary of Hulu Langat. To assess the spatial distribution of dengue cases three spatial statistics method (Moran-s I, average nearest neighborhood (ANN) and kernel density estimation) were applied together with spatial analysis in the GIS environment. Those three indices were used to analyze the spatial distribution and average distance of dengue incidence and to locate the hot spot of dengue cases. The results indicated that the dengue cases was clustered (p < 0.01) when analyze using Moran-s I with z scores 5.03. The results from ANN analysis showed that the average nearest neighbor ratio is less than 1 which is 0.518755 (p < 0.0001). From this result, we can expect the dengue cases pattern in Hulu Langat district is exhibiting a cluster pattern. The z-score for dengue incidence within the district is -13.0525 (p < 0.0001). It was also found that the significant spatial autocorrelation of dengue incidences occurs at an average distance of 380.81 meters (p < 0.0001). Several locations especially residential area also had been identified as the hot spots of dengue cases in the district.

Keywords: Dengue, geographic information system (GIS), spatial analysis, spatial statistics

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Authors: Elia Favarelli, Enrico Testi, Andrea Giorgetti

Abstract:

Autonomous structural health monitoring (SHM) of many structures and bridges became a topic of paramount importance for maintenance purposes and safety reasons. This paper proposes a set of machine learning (ML) tools to perform automatic feature selection and detection of anomalies in a bridge from vibrational data and compare different feature extraction schemes to increase the accuracy and reduce the amount of data collected. As a case study, the Z-24 bridge is considered because of the extensive database of accelerometric data in both standard and damaged conditions. The proposed framework starts from the first four fundamental frequencies extracted through operational modal analysis (OMA) and clustering, followed by time-domain filtering (tracking). The fundamental frequencies extracted are then fed to a dimensionality reduction block implemented through two different approaches: feature selection (intelligent multiplexer) that tries to estimate the most reliable frequencies based on the evaluation of some statistical features (i.e., entropy, variance, kurtosis), and feature extraction (auto-associative neural network (ANN)) that combine the fundamental frequencies to extract new damage sensitive features in a low dimensional feature space. Finally, one-class classification (OCC) algorithms perform anomaly detection, trained with standard condition points, and tested with normal and anomaly ones. In particular, principal component analysis (PCA), kernel principal component analysis (KPCA), and autoassociative neural network (ANN) are presented and their performance are compared. It is also shown that, by evaluating the correct features, the anomaly can be detected with accuracy and an F1 score greater than 95%.

Keywords: Anomaly detection, dimensionality reduction, frequencies selection, modal analysis, neural network, structural health monitoring, vibration measurement.

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Authors: Ryszard Matysiak, Grzegorz Kamieniarz

Abstract:

The deterministic quantum transfer-matrix (QTM) technique and its mathematical background are presented. This important tool in computational physics can be applied to a class of the real physical low-dimensional magnetic systems described by the Heisenberg hamiltonian which includes the macroscopic molecularbased spin chains, small size magnetic clusters embedded in some supramolecules and other interesting compounds. Using QTM, the spin degrees of freedom are accurately taken into account, yielding the thermodynamical functions at finite temperatures. In order to test the application for the susceptibility calculations to run in the parallel environment, the speed-up and efficiency of parallelization are analyzed on our platform SGI Origin 3800 with p = 128 processor units. Using Message Parallel Interface (MPI) system libraries we find the efficiency of the code of 94% for p = 128 that makes our application highly scalable.

Keywords: Deterministic simulations, low-dimensional magnets, modeling of complex systems, parallelization.

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Authors: Daniel Santos, Bruno Ribeiro, Marco Amato, Antonio Fonseca

Abstract:

In this paper we discuss the behaviour of the longitudinal modes of a magnetized non collisional plasma subjected to an external electromagnetic field. We apply a semiclassical formalism, with the electrons being studied in a quantum mechanical viewpoint whereas the electromagnetic field in the classical context. We calculate the dielectric function in order to obtains the modes and found that, unlike the Bernstein modes, the presence of radiation induces oscillations around the cyclotron harmonics, which are smoothed as the energy stored in the radiation field becomes small compared to the thermal energy of the electrons. We analyze the influence of the number of photon involved in the electronic transitions between the Landau levels and how the parameters such as the external fields strength, plasma density and temperature affect the dispersion relation

Keywords: Collective oscillations, External fields, Dispersion relation.

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