Search results for: quantum wells
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 988

Search results for: quantum wells

418 Rényi Entropy Correction to Expanding Universe

Authors: Hamidreza Fazlollahi

Abstract:

The Re ́nyi entropy comprises a group of data estimates that sums up the well-known Shannon entropy, acquiring a considerable lot of its properties. It appears as unqualified and restrictive entropy, relative entropy, or common data, and has found numerous applications in information theory. In the Re ́nyi’s argument, the area law of the black hole entropy plays a significant role. However, the total entropy can be modified by some quantum effects, motivated by the randomness of a system. In this note, by employing this modified entropy relation, we have derived corrections to Friedmann equations. Taking this entropy associated with the apparent horizon of the Friedmann-Robertson-Walker Universe and assuming the first law of thermodynamics, dE=T_A (dS)_A+WdV, satisfies the apparent horizon, we have reconsidered expanding Universe. Also, the second thermodynamics law has been examined.

Keywords: Friedmann equations, dark energy, first law of thermodynamics, Reyni entropy

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417 Modifying Hawking Radiation in 2D-Approximated Schwarzschild Black Holes near the Event Horizon

Authors: Richard Pincak

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Starting from a 4D spacetime model using a partially negative dimensional product manifold (PNDP-manifold), which emerges as a 2D spacetime, we developed an analysis of tidal forces and Hawking radiation near the event horizon of a Schwarzchild black hole. The modified 2D metric, incorporating the effects of the four-dimensional Weyl tensor, with the dilatonic field and the newly derived time relation \(2\alpha t = \ln \epsilon\), can enable a deeper understanding of quantum gravity. The analysis shows how the modified Hawking temperature and distribution of emitted particles are affected by additional fields, providing potential observables for future experiments.

Keywords: black holes, Hawking radiation, Weyl tensor, information paradox

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416 Molecular Dynamics Simulation on Nanoelectromechanical Graphene Nanoflake Shuttle Device

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

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

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

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415 New Derivatives 7-(diethylamino)quinolin-2-(1H)-one Based Chalcone Colorimetric Probes for Detection of Bisulfite Anion in Cationic Micellar Media

Authors: Guillermo E. Quintero, Edwin G. Perez, Oriel Sanchez, Christian Espinosa-Bustos, Denis Fuentealba, Margarita E. Aliaga

Abstract:

Bisulfite ion (HSO3-) has been used as a preservative in food, drinks, and medication. However, it is well-known that HSO3- can cause health problems like asthma and allergic reactions in people. Due to the above, the development of analytical methods for detecting this ion has gained great interest. In line with the above, the current use of colorimetric and/or fluorescent probes as a detection technique has acquired great relevance due to their high sensitivity and accuracy. In this context, 2-quinolinone derivatives have been found to possess promising activity as antiviral agents, sensitizers in solar cells, antifungals, antioxidants, and sensors. In particular, 7-(diethylamino)-2-quinolinone derivatives have attracted attention in recent years since their suitable photophysical properties become promising fluorescent probes. In Addition, there is evidence that photophysical properties and reactivity can be affected by the study medium, such as micellar media. Based on the above background, 7-(diethylamino)-2-quinolinone derivatives based chalcone will be able to be incorporated into a cationic micellar environment (Cetyltrimethylammonium bromide, CTAB). Furthermore, the supramolecular control induced by the micellar environment will increase the reactivity of these derivatives towards nucleophilic analytes such as HSO3- (Michael-type addition reaction), leading to the generation of new colorimetric and/or fluorescent probes. In the present study, two derivatives of 7-(diethylamino)-2-quinolinone based chalcone DQD1-2 were synthesized according to the method reported by the literature. These derivatives were structurally characterized by 1H, 13C NMR, and HRMS-ESI. In addition, UV-VIS and fluorescence studies determined absorption bands near 450 nm, emission bands near 600 nm, fluorescence quantum yields near 0.01, and fluorescence lifetimes of 5 ps. In line with the foregoing, these photophysical properties aforementioned were improved in the presence of a cationic micellar medium using CTAB thanks to the formation of adducts presenting association constants of the order of 2,5x105 M-1, increasing the quantum yields to 0.12 and the fluorescence lifetimes corresponding to two lifetimes near to 120 and 400 ps for DQD1 and DQD2. Besides, thanks to the presence of the micellar medium, the reactivity of these derivatives with nucleophilic analytes, such as HSO3-, was increased. This was achieved through kinetic studies, which demonstrated an increase in the bimolecular rate constants in the presence of a micellar medium. Finally, probe DQD1 was chosen as the best sensor since it was assessed to detect HSO3- with excellent results.

Keywords: bisulfite detection, cationic micelle, colorimetric probes, quinolinone derivatives

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414 Quantum Dynamics for General Time-Dependent Three Coupled Oscillators

Authors: Salah Menouar, Sara Hassoul

Abstract:

The dynamic of time-dependent three coupled oscillators is studied through an approach based on decoupling of them using the unitary transformation method. From a first unitary transformation, the Hamiltonian of the complicated original system is transformed to an equal but a simple one associated with the three coupled oscillators of which masses are unity. Finally, we diagonalize the matrix representation of the transformed hamiltonian by using a unitary matrix. The diagonalized Hamiltonian is just the same as the Hamiltonian of three simple oscillators. Through these procedures, the coupled oscillatory subsystems are completely decoupled. From this uncouplement, we can develop complete dynamics of the whole system in an easy way by just examining each oscillator independently. Such a development of the mechanical theory can be done regardless of the complication of the parameters' variations.

Keywords: schrödinger equation, hamiltonian, time-dependent three coupled oscillators, unitary transformation

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413 A Case Study on Management of Coal Seam Gas by-Product Water

Authors: Mojibul Sajjad, Mohammad G. Rasul, Md. Sharif Imam Ibne Amir

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The rate of natural gas dissociation from the Coal Matrix depends on depressurization of reservoir through removing of the cleat water from the coal seam. These waters are similar to brine and aged of long years. For improving the connectivity through fracking /fracturing, high pressure liquids are pumped off inside the coal body. A significant quantity of accumulated water, a combined mixture of cleat water and fracking fluids (back flow water) is pumped out through gas well. In Queensland Coal Seam Gas industry is in booming state and estimated of 30,000 wells would be active for CSG production forecasting life span of 30 years. Integrated water management along with water softening programs is practiced for subsequent treatment and later on discharge to nearby surface water catchment. Water treatment is an important part of the CSG industry. A case study on a CSG site and review on the test results are discussed for assessing the Standards & Practices for management of CSG by-product water and their subsequent disposal activities. This study was directed toward (i) water management and softening process in Spring Gully Mine field, (ii) Comparative analysis on experimental study and standards and (iii) Disposal of the treated water. This study also aimed for alternative usages and their impact on vegetation, living species as well as long term effects.

Keywords: coal seam gas (CSG), cleat water, hydro-fracking, product water

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412 Molecular Dynamics Study of Ferrocene in Low and Room Temperatures

Authors: Feng Wang, Vladislav Vasilyev

Abstract:

Ferrocene (Fe(C5H5)2, i.e., di-cyclopentadienyle iron (FeCp2) or Fc) is a unique example of ‘wrong but seminal’ in chemistry history. It has significant applications in a number of areas such as homogeneous catalysis, polymer chemistry, molecular sensing, and nonlinear optical materials. However, the ‘molecular carousel’ has been a ‘notoriously difficult example’ and subject to long debate for its conformation and properties. Ferrocene is a dynamic molecule. As a result, understanding of the dynamical properties of ferrocene is very important to understand the conformational properties of Fc. In the present study, molecular dynamic (MD) simulations are performed. In the simulation, we use 5 geometrical parameters to define the overall conformation of Fc and all the rest is a thermal noise. The five parameters are defined as: three parameters d---the distance between two Cp planes, α and δ to define the relative positions of the Cp planes, in which α is the angle of the Cp tilt and δ the angle the two Cp plane rotation like a carousel. Two parameters to position the Fe atom between two Cps, i.e., d1 for Fe-Cp1 and d2 for Fe-Cp2 distances. Our preliminary MD simulation discovered the five parameters behave differently. Distances of Fe to the Cp planes show that they are independent, practically identical without correlation. The relative position of two Cp rings, α, indicates that the two Cp planes are most likely not in a parallel position, rather, they tilt in a small angle α≠ 0°. The mean plane dihedral angle δ ≠ 0°. Moreover, δ is neither 0° nor 36°, indicating under those conditions, Fc is neither in a perfect eclipsed structure nor a perfect staggered structure. The simulations show that when the temperature is above 80K, the conformers are virtually in free rotations, A very interesting result from the MD simulation is the five C-Fe bond distances from the same Cp ring. They are surprisingly not identical but in three groups of 2, 2 and 1. We describe the pentagon formed by five carbon atoms as ‘turtle swimming’ for the motion of the Cp rings of Fc as shown in their dynamical animation video. The Fe- C(1) and Fe-C(2) which are identical as ‘the turtle back legs’, Fe-C(3) and Fe-C(4) which are also identical as turtle front paws’, and Fe-C(5) ---’the turtle head’. Such as ‘turtle swimming’ analog may be able to explain the single substituted derivatives of Fc. Again, the mean Fe-C distance obtained from MD simulation is larger than the quantum mechanically calculated Fe-C distances for eclipsed and staggered Fc, with larger deviation with respect to the eclipsed Fc than the staggered Fc. The same trend is obtained for the five Fe-C-H angles from same Cp ring of Fc. The simulated mean IR spectrum at 7K shows split spectral peaks at approximately 470 cm-1 and 488 cm-1, in excellent agreement with quantum mechanically calculated gas phase IR spectrum for eclipsed Fc. As the temperature increases over 80K, the clearly splitting IR spectrum become a very board single peak. Preliminary MD results will be presented.

Keywords: ferrocene conformation, molecular dynamics simulation, conformer orientation, eclipsed and staggered ferrocene

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411 National Projects' Impact on the Regional Division

Authors: Mosaad Hamouda, Kamal Khalaf, Zaker Mousa

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National projects are considered Egypt's future vision in investing its various resources and the best way to bring about a developmental renaissance that constitutes a quantum leap because of its developmental impact on the planning regions, which it achieves in attracting and localizing investments to achieve urban development, and what this has a noticeable impact on dividing those regions in order to achieve a developmental balance or at least reduce the severity of the disparities between them, by measuring the impact of these projects, which appear in the per capita share of the various developmental variables, and also analyzing global and local experiences so that a balanced division of the country’s regions can be reached, and the research finds a set of planning foundations that are compatible with the settlement of these national projects in the future.

Keywords: national projects, regional development, division of regions, development disparities

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410 Wave Velocity-Rock Property Relationships in Shallow Marine Libyan Carbonate Reservoir

Authors: Tarek S. Duzan, Abdulaziz F. Ettir

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Wave velocities, Core and Log petrophysical data were collected from recently drilled four new wells scattered through-out the Dahra/Jofra (PL-5) Reservoir. The collected data were analyzed for the relationships of Wave Velocities with rock property such as Porosity, permeability and Bulk Density. Lots of Literature review reveals a number of differing results and conclusions regarding wave velocities (Compressional Waves (Vp) and Shear Waves (Vs)) versus rock petrophysical property relationships, especially in carbonate reservoirs. In this paper, we focused on the relationships between wave velocities (Vp , Vs) and the ratio Vp/Vs with rock properties for shallow marine libyan carbonate reservoir (Real Case). Upon data analysis, a relationship between petrophysical properties and wave velocities (Vp, Vs) and the ratio Vp/Vs has been found. Porosity and bulk density properties have shown exponential relationship with wave velocities, while permeability has shown a power relationship in the interested zone. It is also clear that wave velocities (Vp , Vs) seems to be a good indicator for the lithology change with true vertical depth. Therefore, it is highly recommended to use the output relationships to predict porosity, bulk density and permeability of the similar reservoir type utilizing the most recent seismic data.

Keywords: conventional core analysis (porosity, permeability bulk density) data, VS wave and P-wave velocities, shallow carbonate reservoir in D/J field

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409 Effect of Naameh Landfill (Lebanon) on Groundwater Quality of the Surrounding Area

Authors: Rana Sawaya, Jalal Halwani, Isam Bashour, Nada Nehme

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Mismanagement of municipal solid wastes in Lebanon might lead to serious environmental problems, especially that a big portion of mixed wastes including putrescible is transferred to Naameh landfill. One of the consequences of municipal solid waste deposition is the production of landfill leachate, which if unproperly treated will threaten the main crucial matrices such as soil, water, and air. The main aim of this one of a kind study is to assess the risk posed to groundwater as a result of leachate infiltration on off-site wells especially after stoppage of Naameh landfill's operation end of the year 2016 and initiation of the capping process which is still ongoing and will be finalized in December 2019. For this purpose, nine representative points around the landfill were selected to undergo physicochemical and microbial analysis on a seasonal basis (every three months). The study extended from the year 2014 until the end of the year 2016 (closure of Naameh landfill). The preliminary data obtained are statistically analyzed using the Statistical Package for Social Sciences (SPSS) and was found in conformity with international and Lebanese norms. Thus, the study will be extended an additional year, especially after the finalization of capping and the results obtained, will enable us to propose new techniques and tools (treatment systems) in water resources management depending on the direction of its usage (domestic, irrigation, drinking).

Keywords: contamination, groundwater, leachate, Lebanon, solid waste

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408 Thermal and Radon-222 Appraisal in Geothermal Aquifer System, Southeastern Tunisia

Authors: Agoubi Belgacem, Adel Kharroubi

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Geothermal groundwater is the main water source to supply various sectors in El Hamma city, southeastern Tunisia. This region was long the destination of thousands of people from Tunisia and neighboring countries for care and bathing. The main objective of this study is to understand the groundwater mineralization origins and factors that control. The second goal is the appraisal of radon in geothermal groundwater in the study area. For this aim, geothermal groundwater was sampled and collected from different locations (thermal baths and deep wells). Physical parameters were measured and major ions were analyzed. Results reveal three water types. The water first type has Na-Mg-Ca-SO4-Cl facies and T>55°C. The second water type dominated by Na-Ca-Cl-SO4 facies with a temperature < 45 °C. However the third water type is dominated by Ca-SO4-Na-Cl-Mg. The three water types may be controlled by depth and geology. The first represent groundwater from deep aquifer (lower cretaceous), the second type was the shallow aquifer and the first is mixed water from deep and shallow water with a temperature ranging from 45 to 55°C. Measured Radon shows that shallow aquifer has a higher 222Rn concentration (677 to 2903 Bq.m-3) than deep water (203 to 1100 Bq.m-3). R-222 in El Hamma thermal aquifer was controlled by structures, porosity and permeability of aquifers. Geostatistical analyses of hydrogeological data and radon activities confirm the vertical flow and communication between deep and shallow aquifers through vertical faults system.

Keywords: Radon-222, geothermal, water, environment, Tunisia

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407 Petroleum Generative Potential of Eocene-Paleocene Sequences of Potwar Basin, Pakistan

Authors: Syed Bilawal Ali Shah

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The investigation of the hydrocarbon source rock potential of Eocene-Paleocene formations of Potwar Basin, part of Upper Indus Basin Pakistan, was done using geochemical and petrological techniques. Analysis was performed on forty-five core-cutting samples from two wells. The sequences analysed are Sakesar, Lockhart and Patala formations of Potwar Basin. Patala Formation is one of Potwar Basin's major petroleum-bearing source rocks. The Lockhart Formation samples VR (%Ro) and Tmax data indicate that the formation is early mature to immature for petroleum generation for hydrocarbon generation; samples from the Patala and Sakesar formations, however, have a peak oil generation window and an early maturity (oil window). With 3.37 weight percent mean TOC and HI levels up to 498 mg HC/g TOC, the source rock characteristics of the Sakesar and Patala formations generally exhibit good to very strong petroleum generative potential. The majority of sediments representing Lockhart Formation have 1.5 wt.% mean TOC having fair to good potential with HI values ranging between 203-498 mg HC/g TOC. 1. The analysed sediments of all formations possess primarily mixed Type II/III and Type III kerogen. Analysed sediments indicate that both the Sakesar and Patala formations can possess good oil-generation potential and may act as an oil source rock in the Potwar Basin.

Keywords: Potwar Basin, Patala Shale, Rock-Eval pyrolysis, Indus Basin, VR %Ro

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406 Schrödinger Equation with Position-Dependent Mass: Staggered Mass Distributions

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

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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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405 Well Water Pollution Caused by Central Batik Industry in Kliwonan, Sragen, Central Java, Indonesia in Ecofeminism Perspective

Authors: Intan Purnama Sari, Fitri Damayanti, Nabiila Yumna Ghina

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Kliwonan, Sragen is a famous central batik industry village. In the process of the industry, women are placed into the central role but marginalized in economic mode. Women have the double burden on domestic sector and public sector (work as craftsmen batik). The existence of the batik industry bring on issues related to the pollution of water resources as a result of waste water with the marginalized of women. This research aims to examine the relevance of the pollution of the water from the well in Kliwonan with women as the biggest role holders through ecofeminism perspective. To examine these aspects then made observations, documentation, and interview against women batik craftsmen. The results of the study showed that the wells as sources of water to the inhabitants of contaminated because the liquid waste water batik industry. The impact of women must buy clean water each month to meet the needs of the household water with the reward that is obtained from the result of labor as much as Rp 12,000 per day. It proves the marginalized women on economic mode. Based on the results of research done, it can be concluded that the required environmental planning to promote how women do the rescue environment. The implementation requires kelor (Moringa oleifera seeds) as such as natural coagulants of sources of water-saving and easy to use.

Keywords: well water pollution, ecofeminism, environmental planning, Moringa oleifera

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404 Folding of β-Structures via the Polarized Structure-Specific Backbone Charge (PSBC) Model

Authors: Yew Mun Yip, Dawei Zhang

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Proteins are the biological machinery that executes specific vital functions in every cell of the human body by folding into their 3D structures. When a protein misfolds from its native structure, the machinery will malfunction and lead to misfolding diseases. Although in vitro experiments are able to conclude that the mutations of the amino acid sequence lead to incorrectly folded protein structures, these experiments are unable to decipher the folding process. Therefore, molecular dynamic (MD) simulations are employed to simulate the folding process so that our improved understanding of the folding process will enable us to contemplate better treatments for misfolding diseases. MD simulations make use of force fields to simulate the folding process of peptides. Secondary structures are formed via the hydrogen bonds formed between the backbone atoms (C, O, N, H). It is important that the hydrogen bond energy computed during the MD simulation is accurate in order to direct the folding process to the native structure. Since the atoms involved in a hydrogen bond possess very dissimilar electronegativities, the more electronegative atom will attract greater electron density from the less electronegative atom towards itself. This is known as the polarization effect. Since the polarization effect changes the electron density of the two atoms in close proximity, the atomic charges of the two atoms should also vary based on the strength of the polarization effect. However, the fixed atomic charge scheme in force fields does not account for the polarization effect. In this study, we introduce the polarized structure-specific backbone charge (PSBC) model. The PSBC model accounts for the polarization effect in MD simulation by updating the atomic charges of the backbone hydrogen bond atoms according to equations derived between the amount of charge transferred to the atom and the length of the hydrogen bond, which are calculated from quantum-mechanical calculations. Compared to other polarizable models, the PSBC model does not require quantum-mechanical calculations of the peptide simulated at every time-step of the simulation and maintains the dynamic update of atomic charges, thereby reducing the computational cost and time while accounting for the polarization effect dynamically at the same time. The PSBC model is applied to two different β-peptides, namely the Beta3s/GS peptide, a de novo designed three-stranded β-sheet whose structure is folded in vitro and studied by NMR, and the trpzip peptides, a double-stranded β-sheet where a correlation is found between the type of amino acids that constitute the β-turn and the β-propensity.

Keywords: hydrogen bond, polarization effect, protein folding, PSBC

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403 Simulation of Carbon Nanotubes/GaAs Hybrid PV Using AMPS-1D

Authors: Nima E. Gorji

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The performance and characteristics of a hybrid heterojunction single-walled carbon nanotube and GaAs solar cell is modelled and numerically simulated using AMPS-1D device simulation tool. The device physics and performance parameters with different junction parameters are analysed. The results suggest that the open-circuit voltage changes very slightly by changing the work function, acceptor and donor density while the other electrical parameters reach to an optimum value. Increasing the concentration of a discrete defect density in the absorber layer decreases the electrical parameters. The current-voltage characteristics, quantum efficiency, band gap and thickness variation of the photovoltaic response will be quantitatively considered.

Keywords: carbon nanotube, GaAs, hybrid solar cell, AMPS-1D modelling

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402 Statistical and Analytical Comparison of GIS Overlay Modelings: An Appraisal on Groundwater Prospecting in Precambrian Metamorphics

Authors: Tapas Acharya, Monalisa Mitra

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Overlay modeling is the most widely used conventional analysis for spatial decision support system. Overlay modeling requires a set of themes with different weightage computed in varied manners, which gives a resultant input for further integrated analysis. In spite of the popularity and most widely used technique; it gives inconsistent and erroneous results for similar inputs while processed in various GIS overlay techniques. This study is an attempt to compare and analyse the differences in the outputs of different overlay methods using GIS platform with same set of themes of the Precambrian metamorphic to obtain groundwater prospecting in Precambrian metamorphic rocks. The objective of the study is to emphasize the most suitable overlay method for groundwater prospecting in older Precambrian metamorphics. Seven input thematic layers like slope, Digital Elevation Model (DEM), soil thickness, lineament intersection density, average groundwater table fluctuation, stream density and lithology have been used in the spatial overlay models of fuzzy overlay, weighted overlay and weighted sum overlay methods to yield the suitable groundwater prospective zones. Spatial concurrence analysis with high yielding wells of the study area and the statistical comparative studies among the outputs of various overlay models using RStudio reveal that the Weighted Overlay model is the most efficient GIS overlay model to delineate the groundwater prospecting zones in the Precambrian metamorphic rocks.

Keywords: fuzzy overlay, GIS overlay model, groundwater prospecting, Precambrian metamorphics, weighted overlay, weighted sum overlay

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401 Enhancement in the Absorption Efficiency of Gaas/Inas Nanowire Solar Cells through a Decrease in Light Reflection

Authors: Latef M. Ali, Farah A. Abed

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In this paper, the effect of the Barium fluoride (BaF2) layer on the absorption efficiency of GaAs/InAs nanowire solar cells was investigated using the finite difference time domain (FDTD) method. By inserting the BaF2 as antireflection with the dominant size of 10 nm to fill the space between the shells of wires on the Si (111) substrate. The absorption is significantly improved due to the strong reabsorption of light reflected at the shells and compared with the reference cells. The present simulation leads to a higher absorption efficiency (Qabs) and reaches a value of 97%, and the external quantum efficiencies (EQEs) above 92% are observed. The current density (Jsc) increases by 0.22 mA/cm2 and the open-circuit voltage (Voc) is enhanced by 0.11 mV.

Keywords: nanowire solar cells, absorption efficiency, photovoltaic, band structures, fdtd simulation

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400 Strong Antiferromagnetic Super Exchange in AgF2

Authors: Wojciech Grochala

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AgF2 is an important two-dimensional antiferromagnet and an analogue of [CuO2]2– sheet. However, the strength of magnetic superexchange as well as magnetic dimensionality have not been explored before . Here we report our recent Raman and neutron scattering experiments which led to better understanding of the magnetic properties of the title compound. It turns out that intra-sheet magnetic superexchange constant reaches 70 meV, thus some 2/3 of the value measured for parent compounds of oxocuprate superconductors which is over 100 meV. The ratio of intra-to-inter-sheet superexchange constants is of the order of 102 rendering AgF2 a quasi-2D material, similar to the said oxocuprates. The quantum mechanical calculations reproduce the abovementioned values quite well and they point out to substantial covalence of the Ag–F bonding. After 3 decades of intense research on layered oxocuprates, AgF2 now stands as a second-to-none analogue of these fascinating systems. It remains to be seen whether this 012 parent compound may be doped in order to achieve superconductivity.

Keywords: antiferromagnets, superexchange, silver, fluorine

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399 Opto-Electronic Properties of Novel Structures: Sila-Fulleranes

Authors: Farah Marsusi, Mohammad Qasemnazhand

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Density-functional theory (DFT) was applied to investigate the geometry and electronic properties H-terminated Si-fullerene (Si-fullerane). Natural bond orbital (NBO) analysis confirms sp3 hybridization nature of Si-Si bonds in Si-fulleranes. Quantum confinement effect (QCE) does not affect band gap (BG) so strongly in the size between 1 to 1.7 nm. In contrast, the geometry and symmetry of the cage have significant influence on BG. In contrast to their carbon analogues, pentagon rings increase the stability of the cages. Functionalized Si-cages are stable and can be chemically very active. The electronic properties are highly sensitive to the surface chemistry via functionalization with different chemical groups. As a result, BGs and chemical activities of these cages can be drastically tuned through the chemistry of the surface.

Keywords: density functional theory, sila-fullerens, NBO analysis, opto-electronic properties

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398 Evaluation and New Modeling Improvement of Water Quality

Authors: Sebahat Seker

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Since there is a parallel connection between drinking water quality and public health, studies on drinking and domestic water are of vital importance. Ardahan Province is one of the provinces located in the Northeast Anatolian Region, where animal husbandry and agriculture are carried out economically. City mains water uses underground spring water as a source and is chlorinated and given to the city center by gravity. However, mains water cannot be used outside the central district of the city, and the majority of the people meet their drinking and utility water needs from the wells they have opened individually. The water element, which is vital for all living things, is the most important substance that sustains life for humans. Under normal conditions, a healthy person consumes approximately 1.8-2 liters of water. The quality and use of potable water is one of the most important issues in terms of health. The quality parameters of drinking and utility water have been revealed by the scientific world. Scientific studies on drinking water quality in the world and its impact on public health are among the most popular topics. Although our country is surrounded by water on three sides, potable water resources are very few. In the Eastern Anatolia Region, it is difficult for the public to access drinking and utility water due to the difficult conditions both climatically and geographically. In this study, samples taken from drinking and utility water at certain intervals from the stations determined, and water quality parameters will be determined. The fact that such a study has not been carried out in the region before and the knowledge of the local people about water quality is very important in terms of its original and widespread effect.

Keywords: water quality, modelling, evaluation, northeastern anatolia

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397 A Review on Microbial Enhanced Oil Recovery and Controlling Its Produced Hydrogen Sulfide Effects on Reservoir and Transporting Pipelines

Authors: Ali Haratian, Soroosh Emami Meybodi

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Using viable microbial cultures within hydrocarbon reservoirs so as to the enhancement of oil recovery through metabolic activities is exactly what we recognize as microbial enhanced oil recovery (MEOR). In similar to many other processes in industries, there are some cons and pros following with MEOR. The creation of sulfides such as hydrogen sulfide as a result of injecting the sulfate-containing seawater into hydrocarbon reservoirs in order to maintain the required reservoir pressure leads to production and growth of sulfate reducing bacteria (SRB) approximately near the injection wells, turning the reservoir into sour; however, SRB is not considered as the only microbial process stimulating the formation of sulfides. Along with SRB, thermochemical sulfate reduction or thermal redox reaction (TSR) is also known to be highly effective at resulting in having extremely concentrated zones of ?2S in the reservoir fluids eligible to cause corrosion. Owing to extent of the topic, more information on the formation of ?₂S is going to be put finger on. Besides, confronting the undesirable production of sulfide species in the reservoirs can lead to serious operational, environmental, and financial problems, in particular the transporting pipelines. Consequently, conjuring up reservoir souring control strategies on the way production of oil and gas is the only way to prevent possible damages in terms of environment, finance, and manpower which requires determining the compound’s reactivity, origin, and partitioning behavior. This article is going to provide a comprehensive review of progress made in this field and the possible advent of new strategies in this technologically advanced world of the petroleum industry.

Keywords: corrosion, hydrogen sulfide, NRB, reservoir souring, SRB

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396 The Metacognition Levels of Students: A Research School of Physical Education and Sports at Anadolu University

Authors: Dilek Yalız Solmaz

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Meta-cognition is an important factor for educating conscious individuals who are aware of their cognitive processes. With this respect, the purposes of this article is to find out the perceived metacognition level of Physical Education and Sports School students at Anadolu University and to identify whether metacognition levels display significant differences in terms of various variables. 416 Anadolu University Physical Education and Sports School students were formed the research universe. "The Meta-Cognitions Questionnaire (MCQ-30)" developed by Cartwright-Hatton and Wells and later developed the 30-item short form (MCQ-30) was used. The MCQ-30 which was adapted into Turkish by Tosun and Irak is a four-point agreement scale. In the data analysis, arithmethic mean, standard deviation, t-test and ANOVA were used. There is no statistical difference between mean scores of uncontrollableness and danger, cognitive awareness, cognitive confidence and the positive beliefs of girls and boys students. There is a statistical difference between mean scores of the need to control thinking. There is no statistical difference according to departments of students between mean scores of uncontrollableness and danger, cognitive awareness, cognitive confidence, need to control thinking and the positive beliefs. There is no statistical difference according to grade level of students between mean scores of the positive beliefs, cognitive confidence and need to control thinking. There is a statistical difference between mean scores of uncontrollableness and danger and cognitive awareness.

Keywords: meta cognition, physical education, sports school students, thinking

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395 The Cell Viability Study of Extracts of Bark, Flowers, Leaves and Seeds of Indian Dhak Tree, Flame of Forest

Authors: Madhavi S. Apte, Milind Bhitre

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In pharmaceutical research and new drug development, medicinal plants have important roles. Similarly, Indian dhak tree belonging to family Fabaceae has been widely used in the traditional Indian medical system of ‘Ayurveda’ for the treatment of a variety of ailments. Hence the cell viability study was undertaken to evaluate and compare the activity of extracts of various parts like flower, bark, leaf, seed by conducting MTT assay method along with other pharmacognostical studies. The methanolic extracts of bark, flowers, leaves, and seeds were used for the study. The cell viability MTT assay was performed using the standard operating procedures. The extracts were dissolved in DMSO and serially diluted with complete medium to get the concentrations range of test concentration. DMSO concentration was kept < 0.1% in all the samples. HUVEC cells maintained in appropriate conditions were seeded in 96 well plates and treated with different concentrations of the test samples and incubated at 37°C, 5% CO₂ for 96 hours. MTT reagent was added to the wells and incubated for 4 hours; the dark blue formazan product formed by the cells was dissolved in DMSO under a safety cabinet and read at 550nm. Percentage inhibitions were calculated and plotted with the concentrations used to calculate the IC50 values. The bark, flower, leaves and seed extracts have shown the cytotoxicity activity and can be further studied for antiangiogenesis activity.

Keywords: pharmacognosy, Cell viability, MTT assay, anti-angiogenesis

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394 Mesoporous BiVO4 Thin Films as Efficient Visible Light Driven Photocatalyst

Authors: Karolina Ordon, Sandrine Coste, Malgorzata Makowska-Janusik, Abdelhadi Kassiba

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Photocatalytic processes play key role in the production of a new source of energy (as hydrogen), design of self-cleaning surfaces or for the environment preservation. The most challenging task deals with the purification of water distinguished by high efficiency. In the mentioned process, organic pollutants in solutions are decomposed to the simple, non-toxic compounds as H2O and CO2. The most known photocatalytic materials are ZnO, CdS and TiO2 semiconductors with a particular involvement of TiO2 as an efficient photocatalysts even with a high band gap equal to 3.2 eV which exploit only UV radiation from solar emitted spectrum. However, promising material with visible light induced photoactivity was searched through the monoclinic polytype of BiVO4 which has energy gap about 2.4 eV. As required in heterogeneous photocatalysis, the high contact surface is required. Also, BiVO4 as photocatalyst can be optimized by increasing its surface area by achieving the mesoporous structure synthesize. The main goal of the present work consists in the synthesis and characterization of BiVO4 mesoporous thin film. The synthesis method based on sol-gel was carried out using a standard surfactants such as P123 and F127. The thin film was deposited by spin and dip coating method. Then, the structural analysis of the obtained material was performed thanks to X-ray diffraction (XRD) and Raman spectroscopy. The surface of resulting structure was investigated using a scanning electron microscopy (SEM). The computer simulations based on modeling the optical and electronic properties of bulk BiVO4 by using DFT (density functional theory) methodology were carried out. The semiempirical parameterized method PM6 was used to compute the physical properties of BiVO4 nanostructures. The Raman and IR absorption spectra were also measured for synthesized mesoporous material, and the results were compared with the theoretical predictions. The simulations of nanostructured BiVO4 have pointed out the occurrence of quantum confinement for nanosized clusters leading to widening of the band gap. This result overcame the relevance of nanosized objects to harvest wide part of the solar spectrum. Also, a balance was searched experimentally through the mesoporous nature of the films devoted to enhancing the contact surface as required for heterogeneous catalysis without to lower the nanocrystallite size under some critical sizes inducing an increased band gap. The present contribution will discuss the relevant features of the mesoporous films with respect to their photocatalytic responses.

Keywords: bismuth vanadate, photocatalysis, thin film, quantum-chemical calculations

Procedia PDF Downloads 323
393 The Relationship between Trace Elements in Groundwater Linked to a History of Volcanic Activity in La Pampa and Buenos Aires Provinces, Argentina

Authors: Maisarah Jaafar, Neil I. Ward

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Volcanic and geothermal activity can result in the release of arsenic (As), manganese (Mn), iron, selenium (Se), molybdenum (Mo) and uranium (U) into natural waters. Several studies have reported high levels of these elements in surface and groundwater in Argentina. The main focus has been on As associated with volcanic ash deposits. This study reports the trace element levels of groundwater from an agricultural region of south-eastern La Pampa and southern Buenos Aires provinces, Argentina which have reported high levels of human health problems (bone/teeth disorders, depression, arthritis, etc). Fifty-eight groundwater samples were collected from wells adjacent to Ruta 35 and an Agilent 7700x inductively coupled plasma mass spectrometer (ICP-MS) were used for total elemental analysis. Physicochemical analysis confirmed pH range of 7.05-8.84 and variable conductivity (988-3880 µS/cm) with total dissolved solid content of 502-1989 mg/l. The majority water samples are in an oxidizing environment (Eh= 45-146 mV). Total As levels ranged from (µg/l): 13.08 – 319.4 for La Pampa (LP) and 39.6 – 189.4 for Buenos Aires (BA); all above the WHO Guideline for Drinking Water, 10 µg/l As. Interestingly, Mo (LP: 1.85 – 85.39 µg/l; BA: 4.61– 55.55 µg/l;), Se (LP: 1.2 – 16.59 µg/l; BA: 0.3– 6.94 µg/l;) and U (LP: 1.85 – 85.39 µg/l; BA: 4.61– 55.55 µg/l;) levels are lower than reported values for northern La Pampa. Inter-elemental correlation displayed positive statistically significant between As-Mo, A-Se, As-U while negative statistically significant between As-Mn and As-Fe. This confirms that the source of the trace element is similar to that reported for other region of Argentina, namely volcanic ash deposition.

Keywords: Argentina, groundwater, trace element, volcanic activity

Procedia PDF Downloads 336
392 Pros and Cons of Different Types of Irrigation Systems for Date Palm Production in Sebha, Libya

Authors: Ahmad Aridah, Maria Fay Rola-Rubzen, Zora Singh

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This study investigated the effectiveness of various types of irrigation systems in regards to the impact that these have on the productivity of date palms in the semi-arid and arid region of Sebha, Southwest Libya. The date palm is an economically important crop in Libya and contributes to the agriculture industry, foreign exchange earnings, farmers’ income, and employment in the country. The date palm industry relies on large amounts of water for growing the crop. Farmers in Southwest Libya use a variety of irrigation systems, but the quality and quantity of water varies between systems and this affects the productivity and income of farmers. Using survey data from 210 farmers, this study estimated and assessed the pros and cons of different types of irrigation systems for date palm production under various irrigation systems currently used in Sebha, Libya. The number of years farmers have used irrigation, the area, irrigation water consumption, time of irrigation, number of farm workers (including family labour) and inputs used were measured for surface, sprinkler and drip irrigation methods. Findings from this research provide new insights into the advantages and disadvantages of the various irrigation systems, problems encountered by farmers and the factors that affect the quality and quantity of the irrigation system. The paper discussed proposed solutions to deal with the problems including timing of irrigation, canal maintenance, repair of wells and water control.

Keywords: Libya, factors, irrigation method, date palm

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391 Extending Early High Energy Physics Studies with a Tri-Preon Model

Authors: Peter J. Riley

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Introductory courses in High Energy Physics (HEP) can be extended with the Tri-Preon (TP) model to both supplements and challenge the Standard Model (SM) theory. TP supplements by simplifying the tracking of Conserved Quantum Numbers at an interaction vertex, e.g., the lepton number can be seen as a di-preon current. TP challenges by proposing extended particle families to three generations of particle triplets for leptons, quarks, and weak bosons. There are extensive examples discussed at an introductory level in six arXiv publications, including supersymmetry, hyper color, and the Higgs. Interesting exercises include pion decay, kaon-antikaon mixing, neutrino oscillations, and K+ decay to muons. It is a revealing exercise for students to weigh the pros and cons of parallel theories at an early stage in their HEP journey.

Keywords: HEP, particle physics, standard model, Tri-Preon model

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390 Strongly Disordered Conductors and Insulators in Holography

Authors: Matthew Stephenson

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We study the electrical conductivity of strongly disordered, strongly coupled quantum field theories, holographically dual to non-perturbatively disordered uncharged black holes. The computation reduces to solving a diffusive hydrostatic equation for an emergent horizon fluid. We demonstrate that a large class of theories in two spatial dimensions have a universal conductivity independent of disorder strength, and rigorously rule out disorder-driven conductor-insulator transitions in many theories. We present a (fine-tuned) axion-dilaton bulk theory which realizes the conductor-insulator transition, interpreted as a classical percolation transition in the horizon fluid. We address aspects of strongly disordered holography that can and cannot be addressed via mean-field modeling, such as massive gravity.

Keywords: theoretical physics, black holes, holography, high energy

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389 Structural, Electronic and Optical Properties of LiₓNa1-ₓH for Hydrogen Storage

Authors: B. Bahloul

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This study investigates the structural, electronic, and optical properties of LiH and NaH compounds, as well as their ternary mixed crystals LiₓNa1-ₓH, adopting a face-centered cubic structure with space group Fm-3m (number 225). The structural and electronic characteristics are examined using density functional theory (DFT), while empirical methods, specifically the modified Moss relation, are employed for analyzing optical properties. The exchange-correlation potential is determined through the generalized gradient approximation (PBEsol-GGA) within the density functional theory (DFT) framework, utilizing the projected augmented wave pseudopotentials (PAW) approach. The Quantum Espresso code is employed for conducting these calculations. The calculated lattice parameters at equilibrium volume and the bulk modulus for x=0 and x=1 exhibit good agreement with existing literature data. Additionally, the LiₓNa1-ₓH alloys are identified as having a direct band gap.

Keywords: DFT, structural, electronic, optical properties

Procedia PDF Downloads 71