Search results for: Quantum well

Authors: Morteza Keshavarz

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In this work, using density functional theory (DFT) thermodynamic stability and quantum molecular descriptors of cyclophoshphamide (an anticancer drug)-functionalized zigzag (8,0) CNT, armchair (4,4) CNT and nanocone complexes in water, for two attachment namely the sidewall and tip, is considered. Calculation of the total electronic energy (Et) and binding energy (Eb) of all complexes indicates that the most thermodynamic stability belongs to the sidewall-attachment of cyclophosphamide into functional nanocone. On the other hand, results from chemical hardness show that drug-functionalized zigzag (8,0) and armchair (4,4) complexes in the tip-attachment configuration possess the smallest and greatest chemical hardness, respectively. By computing the solvation energy, it is found that the solution of the drug and all complexes are spontaneous in water. Furthermore, chirality, type of nanovector (nanotube or nanocone), or attachment configuration have no effects on solvation energy of complexes.

Keywords: carbon nanotube, drug delivery, cyclophosphamide drug, density functional theory (DFT)

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Authors: Awal Liman Sale

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The world is fast becoming a global village; and a necessary tool for this process is communication, of which telecommunication is a key player. The quantum development is very rapid as one innovation replaces another in a matter of weeks. Interconnected phone calls across the different Nigerian Telecom service providers are mostly difficult to connect and often diverted, incurring unnecessary charges on the customers. This compels the consumers to register and use multiple subscriber information modules (SIM) so that they can switch to another if one fails. This study aims to identify and prioritize the key factors in selecting telecom service providers by subscribers in Nigeria using the Analytical Hierarchy Process (AHP) in order to match the factors with the GSM network providers and create a hierarchical structure. Opinions of 400 random subscribers of different service providers will be sought using the questionnaire. In general, four components and ten sub-components will be examined in this study. After determining the weight of these components, the importance of each in choosing the service will be prioritized in Nigeria.

Keywords: analytical hierarchy process, global village, Nigerian telecommunication, subscriber information modules

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Authors: Vipresh Mehta , Aman Abhishek, Jatin Batra, Gautam Iyer

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Huge amount of solar radiation reaching the earth can be harnessed to provide electricity through Photo voltaic (PV) panels. The solar PV is an exciting technology but suffers from low efficiency. A study on low efficiency in multi MW solar power plants reveals that the electric yield of the PV modules is reduced due to reflection of the irradiation from the sun and when a module’s temperature is elevated, as there is decrease in the voltage and efficiency. We intend to alter the structure of the PV system, We also intend to improve the efficiency of the Solar Photo Voltaic Panels by active cooling to reduce the temperature losses considerably and decrease reflection losses to some extent. Reflectors/concentrators and anti-reflecting coatings are also used to intensify the amount of output produced from the system. Apart from this, transformer-less Grid-tied Inverter. And also, a T-LCL immitance circuit is used to reduce the harmonics and produce a constant output from the entire system.

Keywords: PV panels, efficiency improvement, active cooling, quantum dots, organic-inorganic hybrid 3D panel, ground water tunneling

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Authors: Shabnam, Jagdeep Kumar

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Because of the impact of their greater surface area and smaller quantum sizes in comparison with other metal atoms or bulk metals, metal nanoparticles, such as those formed of gold, exhibit a variety of unusual chemical and physical properties. The size- and shape-dependent properties of gold nanoparticles (GNPs) are particularly notable. Metal nanoparticles have received a lot of attention due to their unique properties and exciting prospective uses in photonics, electronics, biological sensing, and imaging. The latest developments in GNP synthesis are discussed in this review. Green chemistry measures were used to assess the production of gold nanoparticles, with a focus on Process Mass Intensity (PMI). Based on these measurements, opportunities for improving synthetic approaches were found. With PMIs that were often in the thousands, solvent usage was found to be the main obstacle for nanoparticle synthesis, even ones that were otherwise considered to be environmentally friendly. Since ligated metal nanoparticles are the most industrially relevant but least environmentally friendly, their synthesis by arrested precipitation was chosen as the best chance for significant advances. Gold nanoparticles of small sizes and bio-stability are produced biochemically, and they are used in many biological applications.

Keywords: gold, nanoparticles, green synthesis, AuNP

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Authors: Alya A. Arabi

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Bioisosteres are functional groups that can be interchangeably used without affecting the potency of the drug. Bioisosteres have similar pharmacological properties. Bioisosterism is useful for modifying the physicochemical properties of a drug while obeying the Lipinski’s rules. Bioisosteres are key in optimizing the pharmacokinetic and pharmacodynamics properties of a drug. Tetrazole and carboxylate anions are non-classic bioisosteres. Density functional theory was used to obtain the wavefunction of the molecules and the optimized geometries. The quantum theory of atoms in molecules (QTAIM) was used to uncover the similarity of the average electron density in tetrazole and carboxylate anions. This similarity between the bioisosteres capped by a methyl group was valid despite the fact that the groups have different volumes, charges, energies, or electron populations. The biochemical correspondence of tetrazole and carboxylic acid was also determined to be a result of the similarity of the topography of the electrostatic potential (ESP). The ESP demonstrates the pharmacological and biochemical resemblance for a matching “key-and-lock” interaction.

Keywords: bioisosteres, carboxylic acid, density functional theory, electrostatic potential, tetrazole

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Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

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The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method show good agreement with xperimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. the intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide

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Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

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The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

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Authors: Latef M. Ali, Farah A. Abed, Zheen L. Mohammed

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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. it explore the design and optimization of high-efficiency solar cells on low-reflective absorption efficiency of GaAs/InAs using simulation software tool. The changes in the core and shell diameters profoundly affects the generation and recombination process, thus affecting the conversion efficiency of solar cells.

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

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Authors: A. Ikhlef

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Image noise in computed tomography, is mainly caused by the statistical noise, system noise reconstruction algorithm filters. Since last few years, low dose x-ray imaging became more and more desired and looked as a technical differentiating technology among CT manufacturers. In order to achieve this goal, several technologies and techniques are being investigated, including both hardware (integrated electronics and photon counting) and software (artificial intelligence and machine learning) based solutions. From a hardware point of view, electronic noise could indeed be a potential driver for low and ultra-low dose imaging. We demonstrated that the reduction or elimination of this term could lead to a reduction of dose without affecting image quality. Also, in this study, we will show that we can achieve this goal using conventional electronics (low cost and affordable technology), designed carefully and optimized for maximum detective quantum efficiency. We have conducted the tests using large imaging objects such as 30 cm water and 43 cm polyethylene phantoms. We compared the image quality with conventional imaging protocols with radiation as low as 10 mAs (<< 1 mGy). Clinical validation of such results has been performed as well.

Keywords: computed tomography, electronic noise, scintillation detector, x-ray detector

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Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G(d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G(d,p) method show good agreement with experimental X-ray data. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide, polarizability

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Authors: Gastão Soares Ximenes de Oliveira, Richar Nicolás Durán, Romeo Micah Szmoski, Eloiza Aparecida Avila de Matos, Elano Gustavo Rein

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This article aims to present an experimental method to determine Planck's constant by calculating the cutting potential V₀ from LEDs with different wavelengths. The experiment is designed using Arduino as a central tool in order to make the experimental activity more engaging and attractive for students with the use of digital technologies. From the characteristic curves of each LED, graphical analysis was used to obtain the cutting potential, and knowing the corresponding wavelength, it was possible to calculate Planck's constant. This constant was also obtained from the linear adjustment of the cutting potential graph by the frequency of each LED. Given the relevance of Planck's constant in physics, it is believed that this experiment can offer teachers the opportunity to approach concepts from modern physics, such as the quantization of energy, in a more accessible and applied way in the classroom. This will not only enrich students' understanding of the fundamental nature of matter but also encourage deeper engagement with the principles of quantum physics.

Keywords: physics teaching, educational technology, modern physics, Planck constant, Arduino

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Authors: Csilla Dudás, Éva Böszörményi, Bence Kutus, István Pálinkó, Pál Sipos

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In this study the behavior of alpha-D-isosaccharinate (2-hydroxymethyl-3-deoxy-D-erythro-pentonate, ISA−) in alkaline medium in the presence of calcium was studied. At first the Ca–ISA system was studied by Ca-ion selective electrode (Ca-ISE) in neutral medium at T = 25 °C and I = 1 M NaCl to determine the formation constant of the CaISA+ monocomplex, which was found to be logK = 1.01 ± 0.01 for the reaction of Ca2+ + ISA– = CaISA+. In alkaline medium pH potentiometric titrations were carried out to determine the composition and stability constant of the complex(es) formed. It was found that in these systems above pH = 12.5 the predominant species is the CaISAOH complex. Its formation constant was found to be logK = 3.04 ± 0.05 for the reaction of Ca2+ + ISA– + H2O = CaISAOH + H+ at T = 25 °C and I = 1 M NaCl. Solubility measurements resulted in data consistent with those of the potentiometric titrations. Temperature dependent NMR spectra showed that the slow exchange range between the complex and the free ligand is below 5 °C. It was also showed that ISA– acts as a multidentate ligand forming macrochelate Ca-complexes. The structure of the complexes was determined by using ab initio quantum chemical calculations.

Keywords: Ca-ISE potentiometry, calcium complexes, isosaccharinate ion, NMR spectroscopy, pH potentiometry

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Authors: Suha I. Al-Nassar, K. M. Adel, F. Zainab

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This work was devoted for producing ZnO nanoparticles by pulsed laser ablation (PLA) of Zn metal plate in the aqueous environment of cetyl trimethyl ammonium bromide (CTAB) using Q-Switched Nd:YAG pulsed laser with wavelength= 1064 nm, Rep. rate= 10 Hz, Pulse duration= 6 ns and laser energy 50 mJ. Solution of nanoparticles is found stable in the colloidal form for a long time. The effect of ablation time on the optical and structure of ZnO was studied is characterized by UV-visible absorption. UV-visible absorption spectrum has four peaks at 256, 259, 265, 322 nm for ablation time (5, 10, 15, and 20 sec) respectively, our results show that UV–vis spectra show a blue shift in the presence of CTAB with decrease the ablation time and blue shift indicated to get smaller size of nanoparticles. The blue shift in the absorption edge indicates the quantum confinement property of nanoparticles. Also, FTIR transmittance spectra of ZnO2 nanoparticles prepared in these states show a characteristic ZnO absorption at 435–445cm^−1.

Keywords: zinc oxide nanoparticles, CTAB solution, pulsed laser ablation technique, spectroscopic characterization

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Authors: Sergei P. Efimov

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The anomalous magnetic moment of the electron is calculated by introducing the effective mass of the virtual part of the electron structure. In this case, the anomalous moment is inversely proportional to the effective mass Meff, which is shown to be a linear combination of the neutron, proton, and electrostatic electron field masses. The spin of a rotating structure is assumed to be equal to 3/2, while the spin of a 'bare' electron is equal to unity, the resultant spin being 1/2. A simple analysis gives the coefficients for a linear combination of proton and electron masses, the approximation precision giving here nine significant digits after the decimal point. The summand proportional to α² adds four more digits. Thus, the conception of the effective mass Meff leads to the formula for the total magnetic moment of the electron, which is accurate to fourteen digits. Association with the virtual beta-decay reaction and possible reasons for simplicity of the derived formula are discussed.

Keywords: anomalous magnetic moment of electron, comparison with quantum electrodynamics. effective mass, fifteen significant figures, proton and neutron masses

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Authors: Ahmed Shariful Alam, Abu Hena M. Mustafa Kamal, M. Abdul Rahman, M. Nasmus Sakib Khan Shabbir, Atiqul Islam

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According to the rules of quantum mechanics there is a non-vanishing probability of for an electron to tunnel through a thin insulating barrier or a thin capacitor which is not possible according to the laws of classical physics. Tunneling of electron through a thin insulating barrier or tunnel junction is a random event and the magnitude of current flowing due to the tunneling of electron is very low. As the current flowing through a Single Electron Transistor (SET) is the result of electron tunneling through tunnel junctions of its source and drain the supply voltage requirement is also very low. As a result, the power consumption across a Single Electron Transistor is ultra-low in comparison to that of a MOSFET. In this paper simulations have been done with PSPICE for an inverter built with both SETs and MOSFETs. 35mV supply voltage was used for a SET built inverter circuit and the supply voltage used for a CMOS inverter was 3.5V.

Keywords: ITRS, enhancement type MOSFET, island, DC analysis, transient analysis, power consumption, background charge co-tunneling

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Authors: Azyuni Aziz, Syed A. Malik, Shahrul Kadri Ayop, Fatin Hana Naning

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Currently, organic-inorganic hybrid thin films have attracted researchers to explore them, where these thin films can give a lot of benefits. Hybrid thin films are thin films that consist of inorganic and organic materials. Inorganic and organic materials give high efficiency and low manufacturing cost in some applications such as solar cells application, furthermore, organic materials are environment-friendly. In this study, poly (3-hexylthiophene) was choosing as organic material which combined with inorganic nanoparticles, Cadmium Sulfide (CdS) quantum dots. Samples were prepared using new technique, Angle Lifting Deposition (ALD) at different weight percentage. All prepared samples were then characterized by Field Emission Scanning Electron Microscopy (FESEM) with Energy-dispersive X-ray spectroscopy (EDX) and Atomic Force Microscopy (AFM) to study surface of samples and determine their surface roughness. Results show that these inorganic nanoparticles have affected the surface of samples and surface roughness of samples increased due to increasing of weight percentage of CdS in the thin films samples.

Keywords: AFM, CdS, FESEM-EDX, hybrid thin films, P3HT

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Authors: Anitha Kandasamy, Thirumurugan Ramaiah

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Interestingly, organic materials exhibit large optical nonlinearity with quick responses and having the flexibility of molecular tailoring using computational modelling and favourable synthetic methodologies. Pyridine based organic compounds and carboxylic acid contained aromatic compounds play a crucial role in crystal engineering of NCS complexes that displays admirable optical nonlinearity with fast response and favourable physicochemical properties such as low dielectric constant, wide optical transparency and large laser damage threshold value requires for optoelectronics device applications. Based on these facts, it was projected to form an acentric molecule of π-conjugated system interaction with appropriately replaced electron donor and acceptor groups for achieving higher SHG activity in which quinoline-2-carboyxlic acid is chosen as an electron acceptor and capable of acting as an acid as well as a base molecule, while 2-amino-4-methylpyridine is used as an electron donor and previously employed in numerous proton transfer complexes for synthesis of NLO materials for optoelectronic applications. 2-amino-4-mehtylpyridinium quinoline-2-carboxylate molecular complex (2AQ) is having π-donor-acceptor groups in which 2-amino-4-methylpyridine donates one of its electron to quinoline -2-carboxylic acid thereby forming a protonated 2-amino-4-methyl pyridinium moiety and mono ionized quinoline-2-carboxylate moiety which are connected via N-H…O intermolecular interactions with non-centrosymmetric crystal packing arrangement at microscopic scale is accountable to the enhancement of macroscopic second order NLO activity. The 2AQ crystal was successfully grown by a slow evaporation solution growth technique and its structure was determined in orthorhombic crystal system with acentric, P212121, space group. Hirshfeld surface analysis reveals that O…H intermolecular interactions primarily contributed with 31.0 % to the structural stabilization of 2AQ. The molecular structure of title compound has been confirmed by 1H and 13C NMR spectral studies. The vibrational modes of functional groups present in 2AQ have been assigned by using FTIR and FT-Raman spectroscopy. The grown 2AQ crystal exhibits high optical transparency with lower cut-off wavelength (275 nm) within the region of 275-1500 nm. The laser study confirmed that 2AQ exhibits high SHG efficiency of 12.6 times greater than that of KDP. TGA-DTA analysis revealed that 2AQ crystal had a thermal stability of 223 °C. The low dielectric constant and low dielectric loss at higher frequencies confirmed good crystalline nature with fewer defects of grown 2AQ crystal. The grown crystal exhibits soft material and positive photoconduction behaviour. Mulliken atomic distribution and FMOs analysis suggested that the strong intermolecular hydrogen bonding which lead to the enhancement of NLO activity. These properties suggest that 2AQ crystal is a suitable material for optoelectronic and laser frequency conversion applications.

Keywords: crystal growth, NLO activity, proton transfer complex, quantum chemical investigation

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Authors: Seungwon Han, Sung young Yoo, Tae Wan Kim

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The objective of this study was to measure the changes in the photochemical response in the leaves of red pepper (Capsium annuum L.) after foliar fertilization of amino acid and small peptides derived from the waste egg. As a nitrogen fertilizer, waste eggs were incubated over one 1week and then degraded as amino acids and small peptides. The smaller peptides less than 20 kDa were identified by matrix-assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF-MS). MALDI-TOF-MS as a rapid analysis method was to show the molecular mass of degraded egg protein. The sequences of peptides were identified as follows; γ-Glu- Cys-γ-Glu-Cys-γ-Glu-Cys)-Ser and γ-Glu-Cys-γ-Glu-Cys-γ-Glu- Cys)-Gly. It was clearly illuminated that the parameters related to quantum yields for PSI electron transport (ΦRE1O, ΨRE1O, δRE1O) and RC/ABS have increased tendency by small peptide application. On the other hand, phenomenological energy fluxes (ABSO/CSM, TRO/CSM, ET2O/CSM, RE1O/CSM, DIO/CSM) have considerably fluctuated with foliar fertilization of small peptides. In conclusion, the small peptides can enhance the photochemical activities from photosystem II to photosystem I. This study was financially supported by RDA Agenda Project PJ 016196012022.

Keywords: electron transport, foliar fertilization, small peptide, waste egg

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Authors: Abhishek Ranga

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The study examined the effect of accounting choice and level of disclosure on the firm’s implied cost of equity in Indian environment. For the study accounting choice was classified as aggressive or conservative depending upon the firm’s choice of accounting methods, accounting policies and accounting estimates. Level of disclosure is the quantum of financial and non-financial information disclosed in firm’s annual report, essentially in note to accounts section, schedules forming part of financial statements and Management Discussion and Analysis report. Regression models were developed with cost of equity as a dependent variable and accounting choice, level of disclosure as an independent variable along with selected control variables. Cost of equity was measured using Edward-Bell-Ohlson (EBO) valuation model, to measure accounting choice Modified-Jones-Model (MJM) was used and level of disclosure was measured using a disclosure index essentially drawn from Botosan study. Results indicated a negative association between the implied cost of equity and conservative accounting choice and also between level of disclosure and cost of equity.

Keywords: aggressive accounting choice, conservative accounting choice, disclosure, implied cost of equity

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Authors: Revant Nayar

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In this work, we recast the equations describing large scale structure, and by extension all nonlinear fluids, in the path integral formalism. We first calculate the well known two and three point functions using Schwinger Keldysh formalism used commonly to perturbatively solve path integrals in non- equilibrium systems. Then we include EFT corrections due to pressure, viscosity, and noise as effects on the time-dependent propagator. We are able to express results for arbitrary two and three point correlation functions in LSS in terms of differential operators acting on a triple K master intergral. We also, for the first time, get analytical results for more general initial conditions deviating from the usual power law P∝kⁿ by introducing a mass scale in the initial conditions. This robust field theoretic formalism empowers us with tools from strongly coupled QFT to study the strongly non-linear regime of LSS and turbulent fluid dynamics such as OPE and holographic duals. These could be used to capture fully the strongly non-linear dynamics of fluids and move towards solving the open problem of classical turbulence.

Keywords: quantum field theory, cosmology, effective field theory, renormallisation

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Authors: O. Maximova, I. L. Danilovich, E. B. Deeva, K. Y. Bukhteev, A. A. Vorobyova, I. V. Morozov, O. S. Volkova, E. A. Zvereva, I. V. Solovyev, S. A. Nikolaev, D. Phuyal, M. Abdel-Hafiez, Y. C. Wang, J. Y. Lin, J. M. Chen, D. I. Gorbunov, K. Puzniak, B. Lake, A. N. Vasiliev

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The low-dimensional magnetic systems tend to reveal exotic spin liquid ground states or form peculiar types of long-range order. Among systems of vivid interest are those characterized by the triangular motif in two dimensions. The realization of either ordered or disordered ground state in a triangular, honeycomb, or kagome lattices is are dictated by the competition of exchange interactions, also being sensitive to anisotropy and the spin value of magnetic ions. While the low-spin Heisenberg systems may arrive at a spin liquid long-range entangled quantum state with emergent gauge structures, the high-spin Ising systems may establish the rigid non-collinear structures. This study presents the case of chiral non-coplanar inverted umbrella-type ferrimagnet formed in cobalt nitrate Co(NO₃)₂ below T

Keywords: chiral magnetic structures, low dimensional magnetic systems, umbrella-type ferrimagnets, chiral non-coplanar magnetic structures

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Authors: Tadesse Desta Gidey, Gebregziabher Kahsay, Pooran Singh

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This work focuses on the theoretical investigation of the coexistence of superconductivity and Spin Density Wave (SDW)in Ferropnictide Ba₁₋ₓKₓFe₂As₂. By developing a model Hamiltonian for the system and by using quantum field theory Green’s function formalism, we have obtained mathematical expressions for superconducting transition temperature TC), spin density wave transition temperature (Tsdw), superconductivity order parameter (Sc), and spin density wave order parameter (sdw). By employing the experimental and theoretical values of the parameters in the obtained expressions, phase diagrams of superconducting transition temperature (TC) versus superconducting order parameter (Sc) and spin density wave transition temperature (Tsdw), versus spin density wave order parameter (sdw) have been plotted. By combining the two phase diagrams, we have demonstrated the possible coexistence of superconductivity and spin density wave (SDW) in ferropnictide Ba1−xKxFe2As2.

Keywords: Superconductivity, Spin density wave, Coexistence, Green function, Pnictides, Ba₁₋ₓKₓFe₂As₂

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Authors: Ishraq M. Anjum

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Distributed Bragg reflectors are used in vertical-cavity surface-emitting lasers (VCSELs) in order to achieve very high reflectivity. Use of metamaterial in place of distributed Bragg reflector can reduce the device size significantly. A silicon-based metamaterial near perfect reflector is designed to be used in place of distributed Bragg reflectors in VCSELs. Mie resonance in dielectric microparticles is exploited in order to design the metamaterial. A reflectivity of 98.31% is achieved using finite-difference time-domain method. An 808nm double intra-cavity contacted VCSEL structure with 1.5 λ cavity is proposed using this metamaterial near perfect reflector. The active region is designed to be composed of seven GaAs/AlGaAs quantum wells. Upon numerical investigation of the designed VCSEL structure, the threshold current is found to be 2.96 mA at an aperture of 40 square micrometers and the maximum output power is found to be 71 mW at a current of 141 mA. Miniaturization of conventional VCSELs is possible using this design.

Keywords: GaAs, LASER, metamaterial, VCSEL, vertical cavity surface emitting laser

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Authors: Valeria Butera, Norihisa Fukaya, Jun-Chu Choi, Kazuhiko Sato, Yoong-Kee Choe

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Several silicon dioxide sources can react with dimethyl carbonate (DMC) in presence of alkali bases catalysts to ultimately produce tetramethoxysilane (TMOS). Experimental findings suggested that the reaction proceeds through several steps in which the first molecule of DMC is converted to dimethylsilyloxide (DMOS) and CO₂. Following the same mechanistic steps, a second molecule of DMC reacts with the DMOS to afford the final product TMOS. Using a cluster model approach, a quantum-mechanical investigation of the first part of the reaction leading to DMOS formation is reported with a twofold purpose: (1) verify the viability of the reaction mechanism proposed on the basis of experimental evidences .(2) compare the behaviors of three different alkali hydroxides MOH, where M=Li, K and Cs, to determine whether diverse ionic radius and charge density can be considered responsible for the observed differences in reactivity. Our findings confirm the observed experimental trend and furnish important information about the effective role of the alkali hydroxides giving an explanation of the different catalytic activity of the three metal cations.

Keywords: Alcoxysilanes production, cluster model approach, DFT, DMC conversion

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Authors: Abdellahi Cheikh

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With the emergence of quantum computers with very powerful capabilities, the security of the exchange of shared keys between two interlocutors poses a big problem in terms of the rapid development of technologies such as computing power and computing speed. Therefore, the Diffie-Hellmann (DH) algorithm is more vulnerable than ever. No mechanism guarantees the security of the key exchange, so if an intermediary manages to intercept it, it is easy to intercept. In this regard, several studies have been conducted to improve the security of key exchange between two interlocutors, which has led to interesting results. The modification made on our model Diffie-Hellman-RSA-AES (DRA), which encrypts the information exchanged between two users using the three-encryption algorithms DH, RSA and AES, by using stenographic photos to hide the contents of the p, g and ClesAES values that are sent in an unencrypted state at the level of DRA model to calculate each user's public key. This work includes a comparative study between the DRA model and all existing solutions, as well as the modification made to this model, with an emphasis on the aspect of reliability in terms of security. This study presents a simulation to demonstrate the effectiveness of the modification made to the DRA model. The obtained results show that our model has a security advantage over the existing solution, so we made these changes to reinforce the security of the DRA model.

Keywords: Diffie-Hellmann, DRA, RSA, advanced encryption standard

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Authors: Shreya Banerjee, Prasanta K. Panigrahi

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The three-way distributive entanglement is shown to be related to the parallelism of vectors. Using a measurement-based approach a set of 2−dimensional vectors is formed, representing the post-measurement states of one of the parties. These vectors originate at the same point and have an angular distance between them. The area spanned by a pair of such vectors is a measure of the entanglement of formation. This leads to a geometrical manifestation of the 3−tangle in 2−dimensions, from inequality in the area which generalizes for n− qubits to reveal that the n− tangle also has a planar structure. Quantifying the genuine n−party entanglement in every 1|(n − 1) bi-partition it is shown that the genuine n−way entanglement does not manifest in n− tangle. A new quantity geometrically similar to 3−tangle is then introduced that represents the genuine n− way entanglement. Extending the formalism to 3− qutrits, the nonlocality without entanglement can be seen to arise from a condition under which the post-measurement state vectors of a separable state show parallelism. A connection to nontrivial sum uncertainty relation analogous to Maccone and Pati uncertainty relation is then presented using decomposition of post-measurement state vectors along parallel and perpendicular direction of the pre-measurement state vectors. This study opens a novel way to understand multiparty entanglement in qubit and qudit systems.

Keywords: Geometry of quantum entanglement, Multipartite and distributive entanglement, Parallelism of vectors , Tangle

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Authors: Nidal H. Abu-Zahra, Aruna P. Wanninayake

Abstract:

Copper Oxide (CuO) is a p-type semiconductor with a band gap energy of 1.5 eV, this is close to the ideal energy gap of 1.4 eV required for solar cells to allow good solar spectral absorption. The inherent electrical characteristics of CuO nano particles make them attractive candidates for improving the performance of polymer solar cells when incorporated into the active polymer layer. The UV-visible absorption spectra and external quantum efficiency of P3HT/PC70BM solar cells containing different weight percentages of CuO nano particles showed a clear enhancement in the photo absorption of the active layer, this increased the power conversion efficiency of the solar cells by 24% in comparison to the reference cell. The short circuit current of the reference cell was found to be 5.234 mA/cm2 and it seemed to increase to 6.484 mA/cm2 in cells containing 0.6 mg of CuO NPs; in addition the fill factor increased from 61.15% to 68.0%, showing an enhancement of 11.2%. These observations suggest that the optimum concentration of CuO nano particles was 0.6 mg in the active layer. These significant findings can be applied to design high-efficiency polymer solar cells containing inorganic nano particles.

Keywords: copper oxide nanoparticle, UV-visible spectroscopy, polymer solar cells, P3HT/PCBM

Procedia PDF Downloads 423

Authors: Nisha Deopa, Allam Srinivasa Rao

Abstract:

Quaternary potassium lead alumino borate (KPbAlB) glasses doped with different concentration of Eu³⁺ ions have been synthesized by melt quench technique and characterized by X-ray diffraction (XRD), Scanning electron microscope (SEM), Photoluminescence (PL), Time-resolved photoluminescence (TRPL) and CIE-chromaticity co-ordinates to study their luminescence behavior. A broad hump was observed in XRD spectrum confirms glassy nature of as-prepared glasses. By using Judd-Ofelt (J-O) theory, various radiative parameters for the prominent fluorescent levels of Eu³⁺ have been investigated. The intense emission peak was observed at 613 nm (⁵D₀→⁷F₂) under 393 nm excitation, matches well with the excitation of n-UV LED chips. The decay profiles observed for ⁵D₀ level were exponential for lower Eu³⁺ ion concentration while non-exponential for higher concentration, which may be due to efficient energy transfer between Eu³⁺-Eu³⁺ through cross relaxation and subsequent quenching observed. From the emission cross-sections, branching ratios, quantum efficiency and CIE coordinates, it was concluded that 7 mol % of Eu³⁺ ion concentration (glass B) is optimum in KPbAlB glasses for photonic device application.

Keywords: energy transfer, glasses, J-O parameters, photoluminescence

Procedia PDF Downloads 164

Authors: BenedictI Ita, Etido P. Inyang

Abstract:

In this work, the resolutions of the N-dimensional Schrödinger equation with the screened modified Kratzerplus inversely quadratic Yukawa potential (SMKIQYP) have been obtained with the Greene-Aldrich approximation scheme using the Nikiforov-Uvarov method. The eigenvalues and the normalized eigenfunctions are obtained. We then apply the energy spectrum to study four (HCl, N₂, NO, and CO) diatomic molecules. The results show that the energy spectra of these diatomic molecules increase as quantum numbers increase. The energy equation was also used to calculate the partition function and other thermodynamic properties. We predicted the partition function of CO and NO. To check the accuracy of our work, the special case (Modified Kratzer and screened Modified Kratzer potentials) of the collective potential energy eigenvalues agrees excellently with the existing literature.

Keywords: Schrödinger equation, Nikiforov-Uvarov method, modified screened Kratzer, inversely quadratic Yukawa potential, diatomic molecules

Procedia PDF Downloads 85

Authors: Rania Ajmi, Faiza Allouche Khebour, Aude Nuscia Taibi, Sirine Essasi

Abstract:

Urban green spaces (UGS) as an important contributor can be a significant part of sustainable development. A spatial method was employed to assess and map the spatial distribution of UGS in five districts in Sousse, Tunisia. Ecological management of UGS is an essential factor for the sustainable development of the city; hence the municipality of Sousse has decided to support the districts according to different green spaces characters. And to implement this policy, (1) a new GIS web application was developed, (2) then the implementation of the various green spaces was carried out, (3) a spatial mapping of UGS using Quantum GIS was realized, and (4) finally a data processing and statistical analysis with RStudio programming language was executed. The intersection of the results of the spatial and statistical analyzes highlighted the presence of an imbalance in terms of the spatial UGS distribution in the study area. The discontinuity between the coast and the city's green spaces was not designed in a spirit of network and connection, hence the lack of a greenway that connects these spaces to the city. Finally, this GIS support will be used to assess and monitor green spaces in the city of Sousse by decision-makers and will contribute to improve the well-being of the local population.

Keywords: distributions, GIS, green space, imbalance, spatial analysis

Procedia PDF Downloads 205