Search results for: single nitrogen expansion

Authors: Abbas Ghanbari-Malidareh

Abstract:

Silicon is a beneficial element for plant growth. It helps plants to overcome multiple stresses, alleviates metal toxicity and improves nutrient imbalance. Field experiment was conducted as split-split plot arranged in a randomized complete block design with four replications. Irrigation system include continues flooding and deficit as main plots and nitrogen rates N0, N46, N92, and N138 kg/ha as sub plots and silicon rates Si0 & Si500 kg/ha as sub-subplots. Results indicate that grain yield had not significant difference between irrigation systems. Flooding irrigation had higher biological yield than deficit irrigation whereas, no significant difference in grain and straw yield. Nitrogen application increased grain, biological and straw yield. Silicon application increased grain, biological and straw yield but, decreased harvest index. Flooding irrigation had higher number of total tillers / hill than deficit irrigation, but deficit irrigation had higher number of fertile tillers / hill than flooding irrigation. Silicon increased number of filled spikelet and decreased blank spikelet. With high nitrogen application decreased 1000-grain weight. It can be concluded that if the nitrogen application was high and water supplied was available we could have silicon application until increase grain yield.

Keywords: Grain yield, Irrigation, Nitrogen, Rice, Silicon.

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Authors: M.M. Jafarpour, Ar. Foolad, M.K. Mansouri, Z. Nikbakhsh, H. Saeedizade

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Ammonia nitrogen is one of the most hazardous water pollutants, discharging into water receptors through industrial effluents. Negative environmental impacts of such chemical species in hydrosphere include accelerated eutrophication, water toxicity and harming the aquatics. Natural zeolite clinoptilolite has very high selectivity & capacity for ammonium cation sorption. It occurs in high abundances and rich mines of this zeolite exist in different parts of Iran and thus are available more cheaply and with different sizing. The aim of this study is to investigate ammonia nitrogen removal over this natural sorbent from real samples of high polluted wastewater discharging from a fertilizer producing plant. The experimental results showed that this natural sorbent without even any pre treatment system & with the same particle size available in Iranian markets has still high capability & selectivity in ammonia nitrogen removal both in batch and continuous tests.

Keywords: Ammonia nitrogen removal, Clinoptilolite, Naturalzeolite, Waste water.

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Authors: Won-Pil Park, Seung-Kwan Cho, Jai-Young Ko, Anders Kristensson, S.T.S. Al-Hassani, Han-Sung Kim, Dohyung Lim

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A number of previous studies were rarely considered the effects of transient non-uniform balloon expansion on evaluation of the properties and behaviors of stents during stent expansion, nor did they determine parameters to maximize the performances driven by mechanical characteristics. Therefore, in order to fully understand the mechanical characteristics and behaviors of stent, it is necessary to consider a realistic modeling of transient non-uniform balloon-stent expansion. The aim of the study is to propose design parameters capable of improving the ability of vascular stent through a comparative study of seven commercial stents using finite element analyses of a realistic transient non-uniform balloon-stent expansion process. In this study, seven representative commercialized stents were evaluated by finite element (FE) analysis in terms of the criteria based on the itemized list of Food and Drug Administration (FDA) and European Standards (prEN). The results indicate that using stents composed of opened unit cells connected by bend-shaped link structures and controlling the geometrical and morphological features of the unit cell strut or the link structure at the distal ends of stent may improve mechanical characteristics of stent. This study provides a better method at the realistic transient non-uniform balloon-stent expansion by investigating the characteristics, behaviors, and parameters capable of improving the ability of vascular stent.

Keywords: Finite Element Analysis, Mechanical Characteristic, Transient Non-uniform Balloon-Stent Expansion, Vascular Stent.

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Authors: Abhishek Kumar Chandra, Kaushal Kishor, Wasim Khan, Dhananjay Singh, M. S. Alam

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Single phase fluid flow through series of uniform microchannels connected via transition section (converging-diverging section with or without throat) was analytically and numerically studied to characterize the flow within the channel and in the transition sections. Three sets of microchannels of diameters 100, 184, and 249 μm were considered for investigation. Each set contains 10 numbers of microchannels of length 20 mm, connected to each other in series via transition sections. Transition section consists of either converging-diverging section with throat or without throat. The effect of non-uniformity in microchannels on pressure drop was determined by passing water/air through the set of channels for Reynolds number 50 to 1000. Compressibility and rarefaction effects in transition sections were also tested analytically and numerically for air flow. The analytical and numerical results show that these configurations can be used in enhancement of transport processes. However, converging-diverging section without throat shows superior performance over with throat configuration.

Keywords: Contraction-expansion flow, integrated microchannel, microchannel network, single phase flow.

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Authors: Gholamreza Farrokhi, Babak Paykarestan

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One field experiment was conducted on corn (Zea mays L.Var. SC 704) to study the effect of three different basic levels of nitrogen (90, 140and 190 Kg/ha as urea) with 0.01% and 0.02% pyridoxine pre-sowing seed soaking for 8 hours. Water-soaked seeds were treated as controled. biomass production was recorded on 45, 70 and 95 days after sowing. Total dry material (TDM), leaf area index (LAI), crop growth rate (CGR), relative growth rate (RGR) and net assimilation rate (NAR) was calculated form 45until 95 days after sowing. Yield and its components such as kernel yield, grain weight, biologic yield, harvest index and protein percentage was measured at harvest. In general, 0.02% pyridoxine and 190 Kg pure nitrogen/ha was shown gave maximum value for growth and yield parameters. N190 + 0.02 % pyridoxine enhanced seed yield and biologic yield by 57.15% and 62.98% compared to 90kg N and water – soaked treatment.

Keywords: Corn, Growth Indices, Nitrogen Levels, Physiological Indices, Pyridoxine.

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Authors: A. M. Tahsini

Abstract:

Computational study of two dimensional supersonic reacting hydrogen-air flows is performed to investigate the nitrogen effects on ignition delay time for premixed and diffusion flames. Chemical reaction is treated using detail kinetics and the advection upstream splitting method is used to calculate the numerical inviscid fluxes. The results show that just in stoichiometric condition for both premixed and diffusion flames, there is monotone dependency of the ignition delay time to the nitrogen addition. In other situations, the optimal condition from ignition viewpoint should be found using numerical investigations.

Keywords: Diffusion flame, Ignition delay time, Mixing layer, Numerical simulation, Premixed flame, Supersonic flow.

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Authors: K. M. Alsager, N. O. Alshehri

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In this paper, we proposed the notion of single valued neutrosophic hesitant fuzzy rough set, by combining single valued neutrosophic hesitant fuzzy set and rough set. The combination of single valued neutrosophic hesitant fuzzy set and rough set is a powerful tool for dealing with uncertainty, granularity and incompleteness of knowledge in information systems. We presented both definition and some basic properties of the proposed model. Finally, we gave a general approach which is applied to a decision making problem in disease diagnoses, and demonstrated the effectiveness of the approach by a numerical example.

Keywords: Single valued neutrosophic hesitant set, single valued neutrosophic hesitant relation, single valued neutrosophic hesitant fuzzy rough set, decision making method.

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Authors: H. Shayeghi, H. Hosseini, A. Shabani, M. Mahdavi

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In this paper, optimal generation expansion planning (GEP) is investigated considering purchase prices, profits of independent power producers (IPPs) and reliability criteria using a new method based on hybrid coded Genetic Algorithm (GA) and Particle Swarm Optimization (PSO). In this approach, optimal purchase price of each IPP is obtained by HCGA and reliability criteria are calculated by PSO technique. It should be noted that reliability criteria and the rate of carbon dioxide (CO2) emission have been considered as constraints of the GEP problem. Finally, the proposed method has been tested on the case study system. The results evaluation show that the proposed method can simply obtain optimal purchase prices of IPPs and is a fast method for calculation of reliability criteria in expansion planning. Also, considering the optimal purchase prices and profits of IPPs in generation expansion planning are caused that the expansion costs are decreased and the problem is solved more exactly.

Keywords: GEP Problem, IPPs, Reliability Criteria, GA, PSO.

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Authors: Weiwei Shan, Wenjing Ding, Juan Ning, Chao He, Zijuan Wang

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Gravity circulation loop for the cryopumps of the space simulator is introduced, and two phase mathematic model of flow heat transfer is analyzed as well. Based on this model, the liquid nitrogen (LN₂) gravity circulation loop including its equipment and layout is designed and has served as LN₂ feeding system for cryopumps in one large space simulator. With the help of control software and human machine interface, this system can be operated flexibly, simply, and automatically under four conditions. When running this system, the results show that the cryopumps can be cooled down and maintained under the required temperature, 120 K.

Keywords: Cryopumps, gravity circulation loop, liquid nitrogen, two-phase.

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Authors: Chiharu Okuma, Jun Murakami, Naoki Yamamoto

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In digital signal processing it is important to approximate multi-dimensional data by the method called rank reduction, in which we reduce the rank of multi-dimensional data from higher to lower. For 2-dimennsional data, singular value decomposition (SVD) is one of the most known rank reduction techniques. Additional, outer product expansion expanded from SVD was proposed and implemented for multi-dimensional data, which has been widely applied to image processing and pattern recognition. However, the multi-dimensional outer product expansion has behavior of great computation complex and has not orthogonally between the expansion terms. Therefore we have proposed an alterative method, Third-order Orthogonal Tensor Product Expansion short for 3-OTPE. 3-OTPE uses the power method instead of nonlinear optimization method for decreasing at computing time. At the same time the group of B. D. Lathauwer proposed Higher-Order SVD (HOSVD) that is also developed with SVD extensions for multi-dimensional data. 3-OTPE and HOSVD are similarly on the rank reduction of multi-dimensional data. Using these two methods we can obtain computation results respectively, some ones are the same while some ones are slight different. In this paper, we compare 3-OTPE to HOSVD in accuracy of calculation and computing time of resolution, and clarify the difference between these two methods.

Keywords: Singular value decomposition (SVD), higher-order SVD (HOSVD), higher-order tensor, outer product expansion, power method.

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Authors: E. Pyle

Abstract:

This paper shows that the economy of any country can be presented as three different shells such as: economic shell of a big, a medium and a small business. The new concepts were introduced such as: volume of an economic shell, coefficient of shell-s expansion (compression) etc. These shells can expansion or compress under action by internal or external powers and when shell expansions - it means the rising of a business activity and compression shows us that economy goes on recession. This process of an expansion or a compression can develop in the various ways like linear, logarithm or any other mathematical laws.

Keywords: Different kinds of deformation of macroeconomics'shells, shells of a big or a medium and a small business.

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Authors: J. Elbl, J. K. Friedel, J. Záhora, L. Plošek, A. Kintl, J. Přichystalová, J. Hynšt, L. Dostálová, K. Zákoutská

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This work presents the first results from the long-term experiment, which is focused on the impact of intensive rainfall and long period of drought on microbial activities in soil. Fifteen lysimeters were prepared in the area of our interest. This area is a protection zone of underground source of drinking water. These lysimeters were filed with topsoil and subsoil collected in this area and divided into two groups. These groups differ in fertilization and amount of water received during the growing season. Amount of microbial biomass and leaching of mineral nitrogen and phosphates were chosen as main indicators of microbial activities in soil. Content of mineral nitrogen and phosphates was measured in soil solution, which was collected from each lysimeters. Amount of microbial biomass was determined in soil samples that were taken from the lysimeters before and after the long period of drought and intensive rainfall.

Keywords: Mineral nitrogen, Phosphates, Microbial activities, Drought, Precipitation.

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Authors: Yogesh Gupta, Ashish Saini, A.K. Saxena

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Information retrieval has become an important field of study and research under computer science due to explosive growth of information available in the form of full text, hypertext, administrative text, directory, numeric or bibliographic text. The research work is going on various aspects of information retrieval systems so as to improve its efficiency and reliability. This paper presents a comprehensive study, which discusses not only emergence and evolution of information retrieval but also includes different information retrieval models and some important aspects such as document representation, similarity measure and query expansion.

Keywords: Information Retrieval, query expansion, similarity measure, query expansion, vector space model.

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Authors: Bita Bayatsarmadi, Shi-Zhang Qiao

Abstract:

Oxygen Reduction Reaction (ORR) performance of iron and nitrogen co-doped porous carbon nanoparticles (Fe-NPC) with various physical and (electro) chemical properties have been investigated. Fe-NPC nanoparticles are synthesized via a facile soft-templating procedure by using Iron (III) chloride hexa-hydrate as iron precursor and aminophenol-formaldehyde resin as both carbon and nitrogen precursor. Fe-NPC nanoparticles shows high surface area (443.83 m2g-1), high pore volume (0.52 m3g-1), narrow mesopore size distribution (ca. 3.8 nm), high conductivity (IG/ID=1.04), high kinetic limiting current (11.71 mAcm-2) and more positive onset potential (-0.106 V) compared to metal-free NPC nanoparticles (-0.295V) which make it high efficient ORR metal-free catalysts in alkaline solution. This study may pave the way of feasibly designing iron and nitrogen containing carbon materials (Fe-N-C) for highly efficient oxygen reduction electro-catalysis.

Keywords: Electro-catalyst, mesopore structure, oxygen reduction reaction, soft-template.

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Authors: A. Charlangsut, M. Boonthienthong, N. Rugthaicharoencheep

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This paper proposes a mathematical model for transmission expansion employing optimization method with scenario analysis approach. Economic transmission planning, on the other hand, seeks investment opportunities so that network expansions can generate more economic benefits than the costs. This approach can be used as a decision model for building new transmission lines added to the existing transmission system minimizing costs of the entire system subject to various system’s constraints and consider of loss value of transmission system and N-1 checking. The results show that the proposed model is efficient to be applied for the larger scale of power system topology.

Keywords: Transmission Expansion Planning, Economic Dispatch, Scenario Analysis, Contingency.

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Authors: D. W. Kim , D. J. Ryu, M. J. Go, D. Chang, S. B. Han, J. M. Hur, B. R. Chung, B. K. Kim, Yeon Hye Jin

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Biological treatment of secondary effluent wastewater by two combined denitrification/oxic filtration systems packed with Lock type(denitrification filter) and ceramic ball (oxic filter) has been studied for 5months. Two phases of operating conditions were carried out with an influent nitrate and ammonia concentrations varied from 5.8 to 11.7mg/L and 5.4 to 12.4mg/L,respectively. Denitrification/oxic filter treatment system were operated under an EBCT (Empty Bed Contact Time) of 4h at system recirculation ratio in the range from 0 to 300% (Linear Velocity increased 19.5m/d to 78m/d). The system efficiency of denitrification , nitrification over 95% respectively. Total nitrogen and COD removal range from 54.6%(recirculation 0%) to 92.3%(recirculation 300%) and 10% to 62.5%, respectively.

Keywords: Advanced treatment , Biofilter, Nitrogen removal, Two combined denitrification/oxic filter

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Authors: S.Baskar, P.S.Ramkumar, R.Kesavan

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This paper presents a new heuristic algorithm useful for long-term planning of survivable WDM networks. A multi-period model is formulated that combines network topology design and capacity expansion. The ability to determine network expansion schedules of this type becomes increasingly important to the telecommunications industry and to its customers. The solution technique consists of a Genetic Algorithm that allows generating several network alternatives for each time period simultaneously and shortest-path techniques to deduce from these alternatives a least-cost network expansion plan over all time periods. The multi-period planning approach is illustrated on a realistic network example. Extensive simulations on a wide range of problem instances are carried out to assess the cost savings that can be expected by choosing a multi-period planning approach instead of an iterative network expansion design method.

Keywords: Wavelength Division Multiplexing, Genetic Algorithm, Network topology, Multi-period reliable network planning

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Authors: Won Mok. Choi, Tae Su. Kwon, Hyun Sung. Jung, Jin Sung. Kim

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The aim of this paper is to confirm the effect of key design parameters, the punch radius and punch angle, on rupture of the expansion tube using a finite element analysis with a ductile damage model. The results of the finite element analysis indicated that the expansion ratio of the tube was mainly affected by the radius of the punch. However, the rupture was more affected by the punch angle than the radius of the punch. The existence of a specific punch angle, at which rupture did not occur, even if the radius of the punch was increased, was found.

Keywords: Expansion tube, Ductile damage, Shear failure, Stress triaxiality.

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Authors: Xiuqin Ma, Norrozila Binti Sulaiman, Hongwu Qin

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In the research field of Rough Set, few papers concern the significance of attribute set. However, there is important relation between the significance of single attribute and that of attribute set, which should not be ignored. In this paper, we draw conclusions by case analysis that (1) the attribute set including single attributes with high significance is certainly significant, while, (2)the attribute set which consists of single attributes with low significance possibly has high significance. We validate the conclusions on discernibility matrix and the results demonstrate the contribution of our conclusions.

Keywords: relation, attribute set, single attribute, rough set, significance

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Authors: H. Shayeghi, M. Mahdavi

Abstract:

Transmission network expansion planning (TNEP) is a basic part of power system planning that determines where, when and how many new transmission lines should be added to the network. Up till now, various methods have been presented to solve the static transmission network expansion planning (STNEP) problem. But in all of these methods, lines adequacy rate has not been considered at the end of planning horizon, i.e., expanded network misses adequacy after some times and needs to be expanded again. In this paper, expansion planning has been implemented by merging lines loading parameter in the STNEP and inserting investment cost into the fitness function constraints using genetic algorithm. Expanded network will possess a maximum adequacy to provide load demand and also the transmission lines overloaded later. Finally, adequacy index could be defined and used to compare some designs that have different investment costs and adequacy rates. In this paper, the proposed idea has been tested on the Garvers network. The results show that the network will possess maximum efficiency economically.

Keywords: Adequacy Optimization, Transmission Expansion Planning, DCGA.

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Authors: Nisha Goyal, R.K. Gupta

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This paper presents a new function expansion method for finding traveling wave solutions of a nonlinear equations and calls it the G G -expansion method, given by Wang et al recently. As an application of this new method, we study the well-known Sawada-Kotera-Kadomtsev-Petviashivili equation and Bogoyavlensky-Konoplechenko equation. With two new expansions, general types of soliton solutions and periodic solutions for these two equations are obtained.

Keywords: Sawada-Kotera-Kadomtsev-Petviashivili equation, Bogoyavlensky-Konoplechenko equation,

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Authors: A. Alhelfi, B. Sunden

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Cavitation in cryogenic liquids is widely present in contemporary science. In the current study, we re-examine a previously validated acoustic cavitation model which was developed for a gas bubble in liquid water. Furthermore, simulations of cryogenic fluids including the thermal effect, the effect of acoustic pressure amplitude and the frequency of sound field on the bubble dynamics are presented. A gas bubble (Helium) in liquids Nitrogen, Oxygen and Hydrogen in an acoustic field at ambient pressure and low temperature is investigated numerically. The results reveal that the oscillation of the bubble in liquid Hydrogen fluctuates more than in liquids Oxygen and Nitrogen. The oscillation of the bubble in liquids Oxygen and Nitrogen is approximately similar.

Keywords: Cryogenic liquids, cavitation, rocket engineering, ultrasound.

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Authors: Takayuki Shiina

Abstract:

We consider power system expansion planning under uncertainty. In our approach, integer programming and stochastic programming provide a basic framework. We develop a multistage stochastic programming model in which some of the variables are restricted to integer values. By utilizing the special property of the problem, called block separable recourse, the problem is transformed into a two-stage stochastic program with recourse. The electric power capacity expansion problem is reformulated as the problem with first stage integer variables and continuous second stage variables. The L-shaped algorithm to solve the problem is proposed.

Keywords: electric power capacity expansion problem, integerprogramming, L-shaped method, stochastic programming

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Authors: Vytautas Galvanauskas, Vykantas Grincas, Rimvydas Simutis

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This paper investigates a possible practical solution for reasonable oxygen supply during the pluripotent stem cells expansion processes, where the stem cells propagate as aggregates in stirred-suspension bioreactors. Low glucose and low oxygen concentrations are preferred for efficient proliferation of pluripotent stem cells. However, strong oxygen limitation, especially inside of cell aggregates, can lead to cell starvation and death. In this research, the oxygen concentration profile inside of stem cell aggregates in a stem cell expansion process was predicted using a modified oxygen diffusion model. This profile can be realized during the stem cells cultivation process by manipulating the oxygen concentration in inlet gas or inlet gas flow. The proposed approach is relatively simple and may be attractive for installation in a real pluripotent stem cell expansion processes.

Keywords: Aggregated stem cells, dissolved oxygen profiles, modeling, stirred-tank, 3D expansion.

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Authors: Hiroaki Sumi, Kiichiro Hayashi

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Now, the use of renewable energy power generation has been advanced. In this paper, we compared the usable amount of resource for photovoltaic power generation which was estimated using the NEDO formula and the expansion support policy of photovoltaic power generation which was researched using Internet in the municipality level in Hokkaido and Aichi Prefecture, Japan. This paper will contribute to grasp the current situation especially about the policy. As a result, there were municipalities which seemed to be no consideration of fitting the amount of resources. We think it would need to consider the suitability between the resources and policies.

Keywords: Photovoltaic power generation, expansion support policy, amount of resources, Japan.

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Authors: Antonio Carlos Marques Alvim, Fernando Carvalho da Silva, Aquilino Senra Martinez

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For a quick and accurate calculation of spatial neutron distribution in nuclear power reactors 3D nodal codes are usually used aiming at solving the neutron diffusion equation for a given reactor core geometry and material composition. These codes use a second order polynomial to represent the transverse leakage term. In this work, a nodal method based on the well known nodal expansion method (NEM), developed at COPPE, making use of this polynomial expansion was modified to treat the transverse leakage term for the external surfaces of peripheral reflector nodes. The proposed method was implemented into a computational system which, besides solving the diffusion equation, also solves the burnup equations governing the gradual changes in material compositions of the core due to fuel depletion. Results confirm the effectiveness of this modified treatment of peripheral nodes for practical purposes in PWR reactors.

Keywords: Transverse leakage, nodal expansion method, power density, PWR reactors

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Authors: Marwan Abukhaled, Ibrahim Sadek

Abstract:

This paper presents the vibrations suppression of a thermoelastic beam subject to sudden heat input by a distributed piezoelectric actuators. An optimization problem is formulated as the minimization of a quadratic functional in terms of displacement and velocity at a given time and with the least control effort. The solution method is based on a combination of modal expansion and variational approaches. The modal expansion approach is used to convert the optimal control of distributed parameter system into the optimal control of lumped parameter system. By utilizing the variational approach, an explicit optimal control law is derived and the determination of the corresponding displacement and velocity is reduced to solving a set of ordinary differential equations.

Keywords: Optimal control, Thermoelastic beam, variational approach, modal expansion approach

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Authors: Abdusalam Gsiea, Ramadan Al-habashi, Mohamed Atumi, Khaled Atmimi

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We present a theoretical investigation on the structural, electronic properties and vibrational mode of nitrogen impurities in ZnO. The atomic structures, formation and transition energies and vibrational modes of (NO3)i interstitial or NO4 substituting on an oxygen site ZnO were computed using ab initio total energy methods. Based on Local density functional theory, our calculations are in agreement with one interpretation of bound-excition photoluminescence for N-doped ZnO. First-principles calculations show that (NO3)i defects interstitial or NO4 substituting on an Oxygen site in ZnO are important suitable impurity for p-type doping in ZnO. However, many experimental efforts have not resulted in reproducible p-type material with N2 and N2O doping. by means of first-principle pseudo-potential calculation we find that the use of NO or NO2 with O gas might help the experimental research to resolve the challenge of achieving p-type ZnO.

Keywords: Density functional theory, nitrogen, p-type, ZnO.

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Authors: Neslihan Yuca, Nilgün Karatepe

Abstract:

The aim of this study was to synthesize the single walled carbon nanotubes (SWCNTs) and determine their hydrogen storage capacities. SWCNTs were firstly synthesized by chemical vapor deposition (CVD) of acetylene (C2H2) on a magnesium oxide (MgO) powder impregnated with an iron nitrate (Fe(NO3)3·9H2O) solution. The synthesis parameters were selected as: the synthesis temperature of 800°C, the iron content in the precursor of 5% and the synthesis time of 30 min. Purification process of SWCNTs was fulfilled by microwave digestion at three different temperatures (120, 150 and 200 °C), three different acid concentrations (0.5, 1 and 1.5 M) and for three different time intervals (15, 30 and 60 min). Nitric acid (HNO3) was used in the removal of the metal catalysts. The hydrogen storage capacities of the purified materials were measured using volumetric method at the liquid nitrogen temperature and gas pressure up to 100 bar. The effects of the purification conditions such as temperature, time and acid concentration on hydrogen adsorption were investigated.

Keywords: Carbon nanotubes, purification, microwavedigestion, hydrogen storage

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Authors: Ahmad Seif, Karim Zare, Asadallah Boshra, Mehran Aghaie

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Density functional theory (DFT) calculations were performed to compute nitrogen-14 and boron-11 nuclear quadrupole resonance (NQR) spectroscopy parameters in the representative model of armchair boron nitride nanotube (BNNT) for the first time. The considered model consisting of 1 nm length of H-capped (5, 5) single-wall BNNT were first allowed to fully relax and then the NQR calculations were carried out on the geometrically optimized model. The evaluated nuclear quadrupole coupling constants and asymmetry parameters for the mentioned nuclei reveal that the model can be divided into seven layers of nuclei with an equivalent electrostatic environment where those nuclei at the ends of tubes have a very strong electrostatic environment compared to the other nuclei along the length of tubes. The calculations were performed via Gaussian 98 package of program.

Keywords: Armchair Nanotube, Density Functional Theory, Nuclear Quadrupole Resonance.

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