Search results for: quantum chemical computation

Authors: Felora Rafiei, Shahram Shoaei

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The aim of this studies was to evaluate effect of nitroxin, super nitro plus and biophosphorus on yield and yield components of maize (Zea mays) under different levels of chemical fertilizers in the condition of normal and difficiet irrigation. Experiment laid out as split plot factorial based on randomized complete block design with three replications. Main plots includes two irrigation treatments of 70 (I1), 120(I2) mm evaporation from class A pan. Sub plots were biological fertilizer and chemical fertilizer as factorial biological fertilizer consisting of nitroxin: Azospirillium lipoferum, Azospirillium brasilens, Azotobacter chroococcum Azotobacter agilis (108 CFU ml-1) (B1), super nitro plus (Azospirillium spp, + Pseudomonas fluorescence + Bacillus subtilis (108 CFU ml-1) + biological fungicide) (B2), biophosphorus (Pseudomonas spp + Bacillus spp (107 CFU ml-1) (B3), and chemical fertilizer consisting of NPK (C1), N5oP5oK5o (C2) and NoPoKo (C3).The results showed that usage of biological fertilizer have positive effects on chemical fertilizers use efficiency and tolerance to drought stress in maize. Also with use of biological fertilizer can decrease usage of chemical fertilizers.

Keywords: biological fertilizer, chemical fertilizer, yield component, yield, corn

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Authors: Mehran Bakhshi, Mohammad Raouf Hosseini, Mohammadhosein Rahimi

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The cadmium sulfide nanoparticles were synthesized from the nickel-cadmium cake of a hydrometallurgical zinc producing plant and sodium sulfide as Cd²⁺ and S^-2 sources, respectively. Also, the synthesis process was performed by using the secretions of Bacillus licheniformis as bio-surfactant. Initially, in order to obtain a cadmium rich solution, two following steps were carried out: 1) Alkaline leaching for the removal of zinc oxide from the cake, and 2) acidic leaching to dissolve cadmium from the remained solid residue. Afterward, the obtained CdSO₄ solution was used for the nanoparticle biosynthesis. Nanoparticles were characterized by the energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD) to confirm the formation of CdS crystals with cubic structure. Also, transmission electron microscopy (TEM) was applied to determine the particle sizes which were in 2-10 nm range. Moreover, the presence of the protein containing bio-surfactants was approved by using infrared analysis (FTIR). In addition, the absorbance below 400 nm confirms quantum particles’ size. Finally, it was shown that valuable CdS quantum dots could be obtained from the industrial waste products via environment-friendly biological approaches.

Keywords: biosynthesis, cadmium cake, cadmium sulfide, nanoparticle, zinc smelter

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Authors: Indranil Bayal, Pradipta Panchadhyayee

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Path-spin hybrid entanglement generated and confined in a single spin-1/2 particle is converted to spin-spin hybrid interparticle entanglement, which finds its important applications in quantum information processing. This protocol uses beam splitter, spin flipper, spin measurement, classical channel, unitary transformations, etc., and requires no collective operation on the pair of particles whose spin variables share complete entanglement after the accomplishment of the protocol. The specialty of the protocol lies in the fact that the path-spin entanglement is transferred between spin degrees of freedom of two separate particles initially possessed by a single party.

Keywords: entanglement, path-spin entanglement, spin-spin entanglement, CNOT operation

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Authors: Adejo Andrew Ojonugwa, Jomboh Jeff Kator, Garkida Adele Dzikwi

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This study investigates the behaviour of textured glass coat to chemical reactions upon application. Samples of textured glass coat developed from mixed post consumer glass were subjected to pH test (ASTM D5464), Chemical resistance test (ASTM D3260 and D1308), Adhesion test (ASTM D3359), and Abrasion test (ASTM D4060). Results shows a pH of 8.50, Chemical resistance of 5% flick rate when reacted with Sodium hydroxide (NaOH), a 3%, 5%, 10%, and 15% discolouration when reacted with Magnesium hydroxide (Mg(OH)2), Hydrogen fluoride (HF), Potassium hydroxide (KOH) and NaOH respectively, an adhesion of 4A and abrasion of 0.2g. The results confirm that the developed textured glass coat is in line with the standard pH range of 8-9, resistant to acid and base except for HF, NaOH, and Mg(OH)₂, good adhesion and abrasion properties, thereby making the coat resistant to chemical degradation and a good engineering material.

Keywords: chemical durability, glass-coat, building, recycling

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Authors: Mojtaba Valinataj

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Reversible logic as a new favorable design domain can be used for various fields especially creating quantum computers because of its speed and intangible power consumption. However, its susceptibility to a variety of environmental effects may lead to yield the incorrect results. In this paper, because of the importance of multiplication operation in various computing systems, some novel reversible logic array multipliers are proposed with error detection capability by incorporating the parity-preserving gates. The new designs are presented for two main parts of array multipliers, partial product generation and multi-operand addition, by exploiting the new arrangements of existing gates, which results in two signed parity-preserving array multipliers. The experimental results reveal that the best proposed 4×4 multiplier in this paper reaches 12%, 24%, and 26% enhancements in the number of constant inputs, number of required gates, and quantum cost, respectively, compared to previous design. Moreover, the best proposed design is generalized for n×n multipliers with general formulations to estimate the main reversible logic criteria as the functions of the multiplier size.

Keywords: array multipliers, Baugh-Wooley method, error detection, parity-preserving gates, quantum computers, reversible logic

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Authors: Randa Alharbi, Vladislav Vyshemirsky

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Systems biology is an important field in science which focuses on studying behaviour of biological systems. Modelling is required to produce detailed description of the elements of a biological system, their function, and their interactions. A well-designed model requires selecting a suitable mechanism which can capture the main features of the system, define the essential components of the system and represent an appropriate law that can define the interactions between its components. Complex biological systems exhibit stochastic behaviour. Thus, using probabilistic models are suitable to describe and analyse biological systems. Continuous-Time Markov Chain (CTMC) is one of the probabilistic models that describe the system as a set of discrete states with continuous time transitions between them. The system is then characterised by a set of probability distributions that describe the transition from one state to another at a given time. The evolution of these probabilities through time can be obtained by chemical master equation which is analytically intractable but it can be simulated. Uncertain parameters of such a model can be inferred using methods of Bayesian inference. Yet, inference in such a complex system is challenging as it requires the evaluation of the likelihood which is intractable in most cases. There are different statistical methods that allow simulating from the model despite intractability of the likelihood. Approximate Bayesian computation is a common approach for tackling inference which relies on simulation of the model to approximate the intractable likelihood. Particle Markov chain Monte Carlo (PMCMC) is another approach which is based on using sequential Monte Carlo to estimate intractable likelihood. However, both methods are computationally expensive. In this paper we discuss the efficiency and possible practical issues for each method, taking into account the computational time for these methods. We demonstrate likelihood-free inference by performing analysing a model of the Repressilator using both methods. Detailed investigation is performed to quantify the difference between these methods in terms of efficiency and computational cost.

Keywords: Approximate Bayesian computation(ABC), Continuous-Time Markov Chains, Sequential Monte Carlo, Particle Markov chain Monte Carlo (PMCMC)

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Authors: Shokofeh Ebrtahimi

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Let G be the chemical graph of a molecule. The matrix D = [dij ] is called the detour matrix of G, if dij is the length of longest path between atoms i and j. The sum of all entries above the main diagonal of D is called the detour index of G.Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena.[1] The pioneers of the chemical graph theory are Alexandru Balaban, Ante Graovac, Ivan Gutman, Haruo Hosoya, Milan Randić and Nenad TrinajstićLet G be the chemical graph of a molecule. The matrix D = [dij ] is called the detour matrix of G, if dij is the length of longest path between atoms i and j. The sum of all entries above the main diagonal of D is called the detour index of G. In this paper, a new program for computing the detour index of molecular graphs of nanotubes by heptagons is determineded. Some Conjectures about detour index of Molecular graphs of nanotubes is included.

Keywords: chemical graph, detour matrix, Detour index, carbon nanotube

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Authors: Mohamed Abd Esselem Dems, Souhila Laib, Nadjia Latelli, Nadia Ouddai

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In this work, we have developed QSAR model for Relative Binding Affinity (RBA) of a large diverse set of estradiol among these derivatives, the organometallic derivatives. By dividing the dataset into a training set of 24 compounds and a test set of 6 compounds. The DFT method was used to calculate quantum chemical descriptors and physicochemical descriptors (MR and MLOGP) were performed using E-Dragon. All the validations indicated that the QSAR model built was robust and satisfactory (R2 = 90.12, Q2LOO = 86.61, RMSE = 0.272, F = 60.6473, Q2ext =86.07). We have therefore apply this model to predict the RBA, for two isomers β and α wherein Mn(CO)3 complex with the aromatic ring of estradiol, and the two isomers show little appreciation for the estrogenic receptor (RBAβ = 1.812 and RBAα = 1.741).

Keywords: DFT, estradiol, haptotropic rearrangement, QSAR, relative binding affinity

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Authors: Ernesto Linan, Linda Cruz, Lucero Becerra

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In this paper, a new hybridized algorithm based on Chemical Reaction Optimization and Simulated Annealing is proposed to solve the alignment sequence Problem. The Chemical Reaction Optimization is a population-based meta-heuristic algorithm based on the principles of a chemical reaction. Simulated Annealing is applied to solve a large number of combinatorial optimization problems of general-purpose. In this paper, we propose hybridization between Chemical Reaction Optimization algorithm and Simulated Annealing in order to solve the Sequence Alignment Problem. An initial population of molecules is defined at beginning of the proposed algorithm, where each molecule represents a sequence alignment problem. In order to simulate inter-molecule collisions, the process of Chemical Reaction is placed inside the Metropolis Cycle at certain values of temperature. Inside this cycle, change of molecules is done due to collisions; some molecules are accepted by applying Boltzmann probability. The results with the hybrid scheme are better than the results obtained separately.

Keywords: chemical reaction optimization, sequence alignment problem, simulated annealing algorithm, metaheuristics

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Authors: N. D. Iswarya, M. A. Maluk Mohamed, N. Vijaya

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Grid is infrastructure that allows the deployment of distributed data in large size from multiple locations to reach a common goal. Scheduling data intensive applications becomes challenging as the size of data sets are very huge in size. Only two solutions exist in order to tackle this challenging issue. First, computation which requires huge data sets to be processed can be transferred to the data site. Second, the required data sets can be transferred to the computation site. In the former scenario, the computation cannot be transferred since the servers are storage/data servers with little or no computational capability. Hence, the second scenario can be considered for further exploration. During scheduling, transferring huge data sets from one site to another site requires more network bandwidth. In order to mitigate this issue, this work focuses on incorporating cognitive science in scheduling. Cognitive Science is the study of human brain and its related activities. Current researches are mainly focused on to incorporate cognitive science in various computational modeling techniques. In this work, the problem solving approach of human brain is studied and incorporated during the data intensive scheduling in grid environments. Here, a cognitive engine is designed and deployed in various grid sites. The intelligent agents present in CE will help in analyzing the request and creating the knowledge base. Depending upon the link capacity, decision will be taken whether to transfer data sets or to partition the data sets. Prediction of next request is made by the agents to serve the requesting site with data sets in advance. This will reduce the data availability time and data transfer time. Replica catalog and Meta data catalog created by the agents assist in decision making process.

Keywords: data grid, grid workflow scheduling, cognitive artificial intelligence

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Authors: Anahita Yarahmadi, Nazanin Mahboobi, Nahid Sadat Rahmatpour Nori, Mohammad Hossein Bijeh Keshavarzi, Mohammad Javad Shakori

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This research aimed at considering biological fertilizer effect and chemical fertilizer on the quantitative characteristics of Sweet wormwood (Artemisia annua L.), an experiment was carried out in factorial design in completely randomized design with 4 replications in an experimental greenhouse which was located in Tehran. Experimental treatment involved chemical fertilizers (Nitrogen, Phosphorus) in4 levels and biological fertilizers in 4 levels (control, Nitroxin, Bio-phosphorus and Vemricompost). Results showed that using biological fertilizers and increasing different levels of chemical fertilizers (N, P) had significant effects on all the characteristics. Considering means comparison showed that biological fertilizers lead to significant enhancement on all the characteristics and among biological fertilizers, Vermicompost treatment has the most effect. Considering means comparison tables of different levels of chemical fertilizer have been found that (N80P80) had the most increase on characteristics.

Keywords: Artemisia annua L, bio-fertilizer, chemical fertilizer, vermicompost

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Authors: Guohua Cao, Xu Dong

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X-ray Fluorescence Molecular Imaging (XFMI) holds great promise as a low-cost molecular imaging modality for biomedical applications with high chemical sensitivity. However, for in vivo biomedical applications, a key technical bottleneck is the relatively low chemical sensitivity of XFMI, especially at a reasonably low radiation dose. In laboratory x-ray source based XFMI, one of the main factors that limits the chemical sensitivity of XFMI is the scattered x-rays. We will present our latest findings on improving the chemical sensitivity of XFMI using excitation beam spectrum optimization. XFMI imaging experiments on two mouse-sized phantoms were conducted at three different excitation beam spectra. Our results show that the minimum detectable concentration (MDC) of iodine can be readily increased by five times via excitation spectrum optimization. Findings from this investigation could find use for in vivo pre-clinical small-animal XFMI in the future.

Keywords: molecular imaging, X-ray fluorescence, chemical sensitivity, X-ray scattering

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Authors: Reda Abdel-Aziz

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Agricultural activities in Egypt generate annually around 35 million tons of waste. Composting is one of the most promising technologies to turnover waste in a more economical way, for many centuries. Composting has been used as a mean of recycling organic matter back into the soil to improve soil structure and fertility. Field experiments were conducted in two governorates, Giza and Al-Monofia, to find out the effect of compost with different rates of chemical fertilizers on growth and yield of corn (Zea mays L.) during two constitutive seasons of 2012 and 2013. The experiment, laid out in a randomized complete block design (RCBD), was carried out on five farmers’ fields in each governorate. The treatments were: unfertilized control, full dose of NPK (120, 30, and 50 kg/acre, respectively), compost at rate of 20 ton/acre, compost at rate of 10 ton/acre + 25% of chemical fertilizer, compost at rate of 10 ton/acre + 50% of chemical fertilizer and compost at rate of 10 ton/acre + 75% of chemical fertilizer. Results revealed a superiority of the treatment of compost at rate of 10 ton/acre + 50% of NPK that caused significant improvement in growth, yield and nutrient uptakes of corn in the two governorates during the two constitutive seasons. Results showed that agricultural waste could be composted into value added soil amendment to enhance efficiency of chemical fertilizer. Composting of agricultural waste could also reduce the chemical fertilizers potential hazard to the environment.

Keywords: agricultural waste, compost, chemical fertilizers, corn production, environment

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Authors: Manouchehr Amiri

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This article introduces a general notion of physical bit information that is compatible with the basics of quantum mechanics and incorporates the Shannon entropy as a special case. This notion of physical information leads to the Binary data matrix model (BDM), which predicts the basic results of quantum mechanics, general relativity, and black hole thermodynamics. The compatibility of the model with holographic, information conservation, and Landauer’s principles are investigated. After deriving the “Bit Information principle” as a consequence of BDM, the fundamental equations of Planck, De Broglie, Beckenstein, and mass-energy equivalence are derived.

Keywords: physical theory of information, binary data matrix model, Shannon information theory, bit information principle

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Authors: J. Urban, Á. S. Botella, L. E. Robaina, A. Bárta, P. Souček, P. Císař, Š. Papáček, L. M. Domínguez

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Skin coloration in fish is of great physiological, behavioral and ecological importance and can be considered as an index of animal welfare in aquaculture as well as an important quality factor in the retail value. Currently, in order to compare color in animals fed on different diets, biochemical analysis, and colorimetry of fished, mildly anesthetized or dead body, are very accurate and meaningful measurements. The noninvasive method using digital images of the fish body was developed as a standalone application. This application deals with the computation burden and memory consumption of large input files, optimizing piece wise processing and analysis with the memory/computation time ratio. For the comparison of color distributions of various experiments and different color spaces (RGB, CIE L*a*b*) the comparable semi-equidistant binning of multi channels representation is introduced. It is derived from the knowledge of quantization levels and Freedman-Diaconis rule. The color calibrations and camera responsivity function were necessary part of the measurement process.

Keywords: color distribution, fish skin color, piecewise transformation, object to background segmentation

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Authors: Diogo Silva, Fadul Rodor, Carlos Moraes

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This work compares the results of multidimensional function approximation using two algorithms: the classical Particle Swarm Optimization (PSO) and the Quantum Particle Swarm Optimization (QPSO). These algorithms were both tested on three functions - The Rosenbrock, the Rastrigin, and the sphere functions - with different characteristics by increasing their number of dimensions. As a result, this study shows that the higher the function space, i.e. the larger the function dimension, the more evident the advantages of using the QPSO method compared to the PSO method in terms of performance and number of necessary iterations to reach the stop criterion.

Keywords: PSO, QPSO, function approximation, AI, optimization, multidimensional functions

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Authors: Sami Ayad, Mengshan Lee

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The Sustainable Development Goals (SDGs) were designed to be the best possible blueprint to achieve peace, prosperity, and overall, a better and more sustainable future for the Earth and all its people, and such a blueprint is needed more than ever. The SDGs face many hurdles that will prevent them from becoming a reality, one of such hurdles, arguably, is the chemical pollution and unintended chemical impacts generated through the production of various goods and resources that we consume. Chemical Alternatives Assessment has proven to be a viable solution for chemical pollution management in terms of filtering out hazardous chemicals for a greener alternative. However, the current substitution practice lacks crucial quantitative datasets (exposures and life cycle impacts) to ensure no unintended trade-offs occur in the substitution process. A Chemical Life Cycle Alternative Assessment (CLiCAA) framework is proposed as a reliable and replicable alternative to Life Cycle Based Alternative Assessment (LCAA) as it integrates chemical molecular structure analysis and Chemical Life Cycle Collaborative (CLiCC) web-based tool to fill in data gaps that the former frameworks suffer from. The CLiCAA framework consists of a four filtering layers, the first two being mandatory, with the final two being optional assessment and data extrapolation steps. Each layer includes relevant impact categories of each chemical, ranging from human to environmental impacts, that will be assessed and aggregated into unique scores for overall comparable results, with little to no data. A feasibility study will demonstrate the efficiency and accuracy of CLiCAA whilst bridging both cancer potency and exposure limit data, hoping to provide the necessary categorical impact information for every firm possible, especially those disadvantaged in terms of research and resource management.

Keywords: chemical alternative assessment, LCA, LCAA, CLiCC, CLiCAA, chemical substitution framework, cancer potency data, chemical molecular structure analysis

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Authors: Y. M. Aiyesimi, S. O. Abah, G. T. Okedayo

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A general analysis has been developed to study the chemical reaction effects on unsteady MHD double-diffusive free convective flow over a vertical stretching plate. The governing nonlinear partial differential equations have been reduced to the coupled nonlinear ordinary differential equations by the similarity transformations. The resulting equations are solved numerically by using Runge-Kutta shooting technique. The effects of the chemical parameters are examined on the velocity, temperature and concentration profiles.

Keywords: chemical reaction, MHD, double-diffusive, stretching plate

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Authors: Nikolai N. Bogolubov, Andrey V. Soldatov

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Terahertz radiation occupies a range of frequencies somewhere from 100 GHz to approximately 10 THz, just between microwaves and infrared waves. This range of frequencies holds promise for many useful applications in experimental applied physics and technology. At the same time, reliable, simple techniques for generation, amplification, and modulation of electromagnetic radiation in this range are far from been developed enough to meet the requirements of its practical usage, especially in comparison to the level of technological abilities already achieved for other domains of the electromagnetic spectrum. This situation of relative underdevelopment of this potentially very important range of electromagnetic spectrum is known under the name of the 'terahertz gap.' Among other things, technological progress in the terahertz area has been impeded by the lack of compact, low energy consumption, easily controlled and continuously radiating terahertz radiation sources. Therefore, development of new techniques serving this purpose as well as various devices based on them is of obvious necessity. No doubt, it would be highly advantageous to employ the simplest of suitable physical systems as major critical components in these techniques and devices. The purpose of the present research was to show by means of conventional methods of non-equilibrium statistical mechanics and the theory of open quantum systems, that a thoroughly studied two-level quantum system, also known as an one-electron two-level 'atom', being driven by external classical monochromatic high-frequency (e.g. laser) field, can radiate continuously at much lower (e.g. terahertz) frequency in the fluorescent regime if the transition dipole moment operator of this 'atom' possesses permanent non-equal diagonal matrix elements. This assumption contradicts conventional assumption routinely made in quantum optics that only the non-diagonal matrix elements persist. The conventional assumption is pertinent to natural atoms and molecules and stems from the property of spatial inversion symmetry of their eigenstates. At the same time, such an assumption is justified no more in regard to artificially manufactured quantum systems of reduced dimensionality, such as, for example, quantum dots, which are often nicknamed 'artificial atoms' due to striking similarity of their optical properties to those ones of the real atoms. Possible ways to experimental observation and practical implementation of the predicted effect are discussed too.

Keywords: terahertz gap, two-level atom, resonant fluorescence, quantum dot, resonant fluorescence, two-level atom

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Authors: Alefsi D. Sanchez-Reinoso, Leonardo Lombardini, Hermann Restrepo

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Colombian coffee is recognized worldwide for its mild flavor and aroma. Its cultivation generates a large amount of waste, such as fresh pulp, which leads to environmental, health, and economic problems. Obtaining biochar (BC) by pyrolysis of coffee pulp and its incorporation to the soil can be a complement to the crop mineral nutrition. The objective was to evaluate the effect of the application of BC obtained from coffee pulp on the physiology and agronomic performance of the Castillo variety coffee crop (Coffea arabica L.). The research was developed in field condition experiment, using a three-year-old commercial coffee crop, carried out in Tolima. Four doses of BC (0, 4, 8 and 16 t ha-1) and four levels of chemical fertilization (CF) (0%, 33%, 66% and 100% of the nutritional requirements) were evaluated. Three groups of variables were recorded during the experiment: i) physiological parameters such as Gas exchange, the maximum quantum yield of PSII (Fv/Fm), biomass, and water status were measured; ii) physical and chemical characteristics of the soil in a commercial coffee crop, and iii) physiochemical and sensorial parameters of roasted beans and coffee beverages. The results indicated that a positive effect was found in plants with 8 t ha-1 BC and fertilization levels of 66 and 100%. Also, a positive effect was observed in coffee trees treated with 8 t ha-1 BC and 100%. In addition, the application of 16 t ha-1 BC increased the soil pHand microbial respiration; reduced the apparent density and state of aggregation of the soil compared to 0 t ha-1 BC. Applications of 8 and 16 t ha-1 BC and 66%-100% chemical fertilization registered greater sensitivity to the aromatic compounds of roasted coffee beans in the electronic nose. Amendments of BC between 8 and 16 t ha-1 and CF between 66% and 100% increased the content of total soluble solids (TSS), reduced the pH, and increased the titratable acidity in beverages of roasted coffee beans. In conclusion, 8 t ha-1 BC of the coffee pulp can be an alternative to supplement the nutrition of coffee seedlings and trees. Applications between 8 and 16 t ha-1 BC support coffee soil management strategies and help the use of solid waste. BC as a complement to chemical fertilization showed a positive effect on the aromatic profile obtained for roasted coffee beans and cup quality attributes.

Keywords: crop yield, cup quality, mineral nutrition, pyrolysis, soil amendment

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Authors: Azin Nasrollah Zadeh

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A factorial experiment was applied to evaluate the effect of chemical and biological fertilizer on yield, total nitrogen uptake and NHI of rice. Four biological treatments including:(M1:no fertilizer),( M2:10 ton/ha cow dung ),(M3:20 ton/ha cow dung) and (M4:5 ton/ha azolla compost) and four chemical fertilizer treatments including: (S1: no fertilizer),(S2:40 kg N /ha),(S3:60 kg N /ha) and ( S4:80 kg N /ha ) were compared. Results showed that highest rate of yield (3387 kg/ha) and total nitrogen uptake (81.4 kg/ha) were reached the highest value at M4. Among the chemical fertilizers the highest grain yield (3373 kg/ha) and total nitrogen uptake (87.7) belonged to highest nitrogen level (S4).Also biological and chemical fertilizers were no significant on Harvest index (NHI). Interaction effect of chemical × biological fertilizers didn't show significant difference between all parameters except of yield, as the most grain yield were obtained in M4S4. So it can be concluded that using of bioilogical fertilizers at appropriate rate and type, considering plant requirement, may improve grain yield, nitrogen uptake and use efficiency in rice.

Keywords: azolla, fertilizer, nitrogen uptake, rice, yield

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Authors: A. Abdikian

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Using the linearized quantum hydrodynamic model (QHD) and by considering the role of quantum parameter (Bohm’s potential) and electron exchange-correlation potential in conjunction with Maxwell’s equations, electromagnetic wave propagation in a single-walled carbon nanotubes was studied. The electronic excitations are described. By solving the mentioned equations with appropriate boundary conditions and by assuming the low-frequency electromagnetic waves, two general expressions of dispersion relations are derived for the transverse magnetic (TM) and transverse electric (TE) modes, respectively. The dispersion relations are analyzed numerically and it was found that the dependency of dispersion curves with the exchange-correlation effects (which have been ignored in previous works) in the low frequency would be limited. Moreover, it has been realized that asymptotic behaviors of the TE and TM modes are similar in single wall carbon nanotubes (SWCNTs). The results show that by adding the function of electron exchange-correlation potential lead to the phenomena and make to extend the validity range of QHD model. The results can be important in the study of collective phenomena in nanostructures.

Keywords: transverse magnetic, transverse electric, quantum hydrodynamic model, electron exchange-correlation potential, single-wall carbon nanotubes

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Authors: N. Fusun Oyman Serteller

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In this paper, the techniques to solve time dependent electromagnetic wave propagation equations based on the Finite Difference Method (FDM) are proposed by comparing the results with Finite Element Method (FEM) in 2D while discussing some special simulation examples.  Here, 2D dynamical wave equations for lossy media, even with a constant source, are discussed for establishing symbolic manipulation of wave propagation problems. The main objective of this contribution is to introduce a comparative study of two suitable numerical methods and to show that both methods can be applied effectively and efficiently to all types of wave propagation problems, both linear and nonlinear cases, by using symbolic computation. However, the results show that the FDM is more appropriate for solving the nonlinear cases in the symbolic solution. Furthermore, some specific complex domain examples of the comparison of electromagnetic waves equations are considered. Calculations are performed through Mathematica software by making some useful contribution to the programme and leveraging symbolic evaluations of FEM and FDM.

Keywords: finite difference method, finite element method, linear-nonlinear PDEs, symbolic computation, wave propagation equations

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Authors: Surajit Chattopadhyay

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Accelerated expansion of the current universe is well-established in the literature. Dark energy and modified gravity are two approaches to account for this accelerated expansion. In the present work, we consider scalar field models of dark energy, namely, tachyon and DBI essence in the framework of chameleon Brans-Dicke cosmology. The equation of state parameter is reconstructed and the subsequent cosmological implications are studied. We examined the stability for the obtained solutions of the crossing of the phantom divide under a quantum correction of massless conformally invariant fields and we have seen that quantum correction could be small when the phantom crossing occurs and the obtained solutions of the phantom crossing could be stable under the quantum correction. In the subsequent phase, we have established a correspondence between the NHDE model and the quintessence, the DBI-essence and the tachyon scalar field models in the framework of chameleon Brans–Dicke cosmology. We reconstruct the potentials and the dynamics for these three scalar field models we have considered. The reconstructed potentials are found to increase with the evolution of the universe and in a very late stage they are observed to decay.

Keywords: dark energy, holographic principle, modified gravity, reconstruction

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Authors: N. Majouri, J. Sghaier, M. El Mankibi

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The history of brick manufacturing in south-west Tunisia dates back 1000 years. Most of the bricks are made at local workshops near to the clay supply site. This experimental study aims at studying and comparing the chemical, mineralogical and physical characterization of ancient and recent clay bricks in south-western Tunisia. This was done by collecting a large sample of clay brick specimens from four sites. There was much variability in the properties. The results revealed that there is a difference of up to 50% between old and new bricks; in chemical composition, mineralogy composition and porosity, which are much lower in recent clay bricks.

Keywords: clay bricks, chemical properties, mineralogical properties, physical properties

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Authors: Wonkyung Na, Namhun Kim, Heeyeop Chae

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Quantum dots (QDs) are getting attentions due to their excellent optical properties in display, solar cell, biomolecule detection and lighting applications. Energy band gap can be easilty controlled by controlling their size and QDs are proper to apply in light-emitting-diode(LED) and lighting application, especially. Typically cadmium (Cd) containing QDs show a narrow photoluminescence (PL) spectrum and high quantum yield. However, Cd is classified as a hazardous materials and the use of Cd is being tightly regulated under 100ppm level in many countries.InP and CuInS2 (CIS) are being investigated as Cd-free QD materials and it is recently demonstrated that the performance of those Cd-free QDs is comparable to their Cd-based rivals.Due to a broad emission spectrum, CuInS2 QDs are also proper to be applied to white LED.4 For the lighting applications, the QD should be made in forms of color conversion films. Various film processes are reported with QDs in polymer matrixes. In this work, we synthesized the CuInS2 (CIS) QDs and QD embedded polystyrene color conversion films were fabricated for white color emission with electro-spinning process. As a result, blue light from blue LED is converted to white light with high color rendering index (CRI) of 72 by the color conversion films.

Keywords: CuInS2/ZnS, electro-spinning, color conversion films, white light emitting diodes

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Authors: Pejman Hosseinioun, Abolghasem Ghasempour, Elham Gholami, Hamed Sarbazi

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Considering the development in global semiconductor technology, it is anticipated that gadgets such as diodes and resonant transistor tunnels (RTD/RTT), Single electron transistors (SET) and quantum cellular automata (QCA) will substitute CMOS (Complementary Metallic Oxide Semiconductor) gadgets in many applications. Unfortunately, these new technologies cannot disembark the common Boolean logic efficiently and are only appropriate for liminal logic. Therefor there is no doubt that with the development of these new gadgets it is necessary to find new MacDraw technologies which are compatible with them. Resonant transistor tunnels (RTD/RTT) and circuit MacDraw with enhanced computing abilities are candida for accumulating Nano criterion in the future. Quantum cellular automata (QCA) are also advent Nano technological gadgets for electrical circuits. Advantages of these gadgets such as higher speed, smaller dimensions, and lower consumption loss are of great consideration. QCA are basic gadgets in manufacturing gates, fuses and memories. Regarding the complex Nano criterion physical entity, circuit designers can focus on logical and constructional design to decrease complication in MacDraw. Moreover Single electron technology (SET) is another noteworthy gadget considered in Nano technology. This article is a survey in future of Nano technology in digital MacDraw.

Keywords: nano technology, resonant transistor tunnels, quantum cellular automata, semiconductor

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Authors: Anita Kushwaha

Abstract:

We propose a new evolutionary computational model called Artificial Reproduction System which is based on the complex process of meiotic reproduction occurring between male and female cells of the living organisms. Artificial Reproduction System is an attempt towards a new computational intelligence approach inspired by the theoretical reproduction mechanism, observed reproduction functions, principles and mechanisms. A reproductive organism is programmed by genes and can be viewed as an automaton, mapping and reducing so as to create copies of those genes in its off springs. In Artificial Reproduction System, the binding mechanism between male and female cells is studied, parameters are chosen and a network is constructed also a feedback system for self regularization is established. The model then applies Mendel’s law of inheritance, allele-allele associations and can be used to perform data analysis of imbalanced data, multivariate, multiclass and big data. In the experimental study Artificial Reproduction System is compared with other state of the art classifiers like SVM, Radial Basis Function, neural networks, K-Nearest Neighbor for some benchmark datasets and comparison results indicates a good performance.

Keywords: bio-inspired computation, nature- inspired computation, natural computing, data mining

Procedia PDF Downloads 238

Authors: Awatef Hicheur Cairns, Billel Gueni, Hind Hafdi, Christian Joubert, Nasser Khelifa

Abstract:

Given the ever changing needs of the job markets, education and training centers are increasingly held accountable for student success. Therefore, education and training centers have to focus on ways to streamline their offers and educational processes in order to achieve the highest level of quality in curriculum contents and managerial decisions. Educational process mining is an emerging field in the educational data mining (EDM) discipline, concerned with developing methods to discover, analyze and provide a visual representation of complete educational processes. In this paper, we present our distributed computation platform which allows different education centers and institutions to load their data and access to advanced data mining and process mining services. To achieve this, we present also a comparative study of the different clustering techniques developed in the context of process mining to partition efficiently educational traces. Our goal is to find the best strategy for distributing heavy analysis computations on many processing nodes of our platform.

Keywords: educational process mining, distributed process mining, clustering, distributed platform, educational data mining, ProM

Procedia PDF Downloads 426

Authors: Thomas Prevenslik

Abstract:

Weakly Interacting Massive Particle (WIMP) experiments suggesting dark matter does not exist are consistent with the argument that the long-standing galaxy rotation problem may be resolved without the need for dark matter if the redshift measurements giving the higher than expected galaxy velocities are corrected for the redshift in cosmic dust. Because of the ubiquity of cosmic dust, all velocity measurements in astronomy based on redshift are most likely overstated, e.g., an accelerating Universe expansion need not exist if data showing supernovae brighter than expected based on the redshift/distance relation is corrected for the redshift in dust. Extensions of redshift corrections for cosmic dust to other historical astronomical observations are briefly discussed.

Keywords: alternative theories, cosmic dust redshift, doppler effect, quantum mechanics, quantum electrodynamics

Procedia PDF Downloads 275