Search results for: quantum kinetic equation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3035

Search results for: quantum kinetic equation

2735 Thermal Stability of Hydrogen in ZnO Bulk and Thin Films: A Kinetic Monte Carlo Study

Authors: M. A. Lahmer, K. Guergouri

Abstract:

In this work, Kinetic Monte Carlo (KMC) method was applied to study the thermal stability of hydrogen in ZnO bulk and thin films. Our simulation includes different possible events such as interstitial hydrogen (Hi) jumps, substitutional hydrogen (HO) formation and dissociation, oxygen and zinc vacancies jumps, hydrogen-VZn complexes formation and dissociation, HO-Hi complex formation and hydrogen molecule (H2) formation and dissociation. The obtained results show that the hidden hydrogen formed during thermal annealing or at room temperature is constituted of both hydrogen molecule and substitutional hydrogen. The ratio of this constituants depends on the initial defects concentration as well as the annealing temperature. For annealing temperature below 300°C hidden hydrogen was found to be constituted from both substitutional hydrogen and hydrogen molecule, however, for higher temperature it is composed essentially from HO defects only because H2 was found to be unstable. In the other side, our results show that the remaining hydrogen amount in sample during thermal annealing depend greatly on the oxygen vacancies in the material. H2 molecule was found to be stable for thermal annealing up to 200°C, VZnHn complexes are stable up to 350°C and HO was found to be stable up to 450°C.

Keywords: ZnO, hydrogen, thermal annealing, kinetic Monte Carlo

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2734 Migration as a Climate Change Adaptation Strategy: A Conceptual Equation for Analysis

Authors: Elisha Kyirem

Abstract:

Undoubtedly, climate change is a major global challenge that could threaten the very foundation upon which life on earth is anchored, with its impacts on human mobility attracting the attention of policy makers and researchers. There is an increasing body of literature and case studies suggesting that migration could be a way through which the vulnerable move away from areas exposed to climate extreme events to improve their lives and that of their families. This presents migration as a way through which people voluntarily move to seek opportunities that could help reduce their exposure and avoid danger from climate events. Thus, migration is seen as a proactive adaptation strategy aimed at building resilience and improving livelihoods to enable people to adapt to future changing events. However, there has not been any mathematical equation linking migration and climate change adaptation. Drawing from literature in development studies, this paper develops an equation that seeks to link the relationship between migration and climate change adaptation. The mathematical equation establishes the linkages between migration, resilience, poverty reduction and vulnerability, and these the paper maintains, are the key variables for conceptualizing the migration-climate change adaptation nexus. The paper then tests the validity of the equation using the sustainable livelihood framework and publicly available data on migration and tourism in Ghana.

Keywords: migration, adaptation, climate change, adaptation, poverty reduction

Procedia PDF Downloads 371
2733 Large Time Asymptotic Behavior to Solutions of a Forced Burgers Equation

Authors: Satyanarayana Engu, Ahmed Mohd, V. Murugan

Abstract:

We study the large time asymptotics of solutions to the Cauchy problem for a forced Burgers equation (FBE) with the initial data, which is continuous and summable on R. For which, we first derive explicit solutions of FBE assuming a different class of initial data in terms of Hermite polynomials. Later, by violating this assumption we prove the existence of a solution to the considered Cauchy problem. Finally, we give an asymptotic approximate solution and establish that the error will be of order O(t^(-1/2)) with respect to L^p -norm, where 1≤p≤∞, for large time.

Keywords: Burgers equation, Cole-Hopf transformation, Hermite polynomials, large time asymptotics

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2732 Quantum Modelling of AgHMoO4, CsHMoO4 and AgCsMoO4 Chemistry in the Field of Nuclear Power Plant Safety

Authors: Mohamad Saab, Sidi Souvi

Abstract:

In a major nuclear accident, the released fission products (FPs) and the structural materials are likely to influence the transport of iodine in the reactor coolant system (RCS) of a pressurized water reactor (PWR). So far, the thermodynamic data on cesium and silver species used to estimate the magnitude of FP release show some discrepancies, data are scarce and not reliable. For this reason, it is crucial to review the thermodynamic values related to cesium and silver materials. To this end, we have used state-of-the-art quantum chemical methods to compute the formation enthalpies and entropies of AgHMoO₄, CsHMoO₄, and AgCsMoO₄ in the gas phase. Different quantum chemical methods have been investigated (DFT and CCSD(T)) in order to predict the geometrical parameters and the energetics including the correlation energy. The geometries were optimized with TPSSh-5%HF method, followed by a single point calculation of the total electronic energies using the CCSD(T) wave function method. We thus propose with a final uncertainty of about 2 kJmol⁻¹ standard enthalpies of formation of AgHMoO₄, CsHMoO₄, and AgCsMoO₄.

Keywords: nuclear accident, ASTEC code, thermochemical database, quantum chemical methods

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2731 Shape Evolution of CdSe Quantum Dots during the Synthesis in the Presence of Silver Halides

Authors: Pavel Kotin, Sergey Dotofeev, Daniil Kozlov, Alexey Garshev

Abstract:

We propose the investigation of CdSe quantum dots which were synthesized in the presence of silver halides. To understand a process of nanoparticle formation in more detail, we varied the silver halide amount in the synthesis and proposed a sampling during colloidal growth. The attempts were focused on the investigation of shape, structure and optical properties of nanoparticles. We used the colloidal method of synthesis. Cadmium oleate, tri-n-octylphosphine selenide (TOPSe) and AgHal in TOP were precursors of cadmium, selenium and silver halides correspondingly. The molar Ag/Cd ratio in synthesis was varied from 1/16 to 1/1. The sampling was basically realized in 20 sec, 5 min, and 30 min after the beginning of quantum dots nucleation. To investigate nanoparticles we used transmission electron microscopy (including high resolution one), X-ray diffraction, and optical spectroscopy. It was established that silver halides lead to obtaining tetrapods with different leg length and large ellipsoidal nanoparticles possessing an intensive near IR photoluminescence. The change of the amount of silver halide in synthesis and the selection of an optimal growth time allows controlling the shape and the share of tetrapods or ellipsoidal nanoparticles in the product. Our main attempts were focused on a detailed investigation of the quantum dots structure and shape evolution and, finally, on mechanisms of such nanoparticle formation.

Keywords: colloidal quantum dots, shape evolution, silver doping, tetrapods

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2730 Antibacterial Activity and Kinetic Parameters of the Essential Oils of Drypetes Gossweileri S.Moore, Ocimun Gratissimum L. and Cymbopogon Citratus DC Stapf on 5 Multidrug-Resistant Strains of Shigella

Authors: Elsa Makue Nguuffo, Esther Del Florence Moni Ndedi, Jacky Njiki Bikoï, Jean Paul Assam Assam, Maximilienne Ascension Nyegue

Abstract:

Aims: The present study aims to evaluate the kinetic parameters of essential oils (EOs) and combinations fromDrypetes gossweileri Stem Bark, Ocimum gratissimum leaves, Cymbopogon citratusleaves after evaluation of their antibacterial activityonmultidrug-resistant strains ofShigella. Material and Methods:fiveclinical strains of Shigellaisolated from patients with diarrhoeaincluding Shigella flexneri, and 4 otherstrains of Shigella sppwere selected. Their antibiotic profile was established using agar test diffusion with seven antibiotics belonging to seven classes.EOs were extracted from each plant using hydrodistillation process. The activity of Ciprofloxacin®, OEs, and their combination formulatedinthe followingratios(w/w/w): C1: 1/1/1; C2: 2/1/1; C3: 1/2/1, C4:1/1/2 was evaluated microdilution assay. The various interactions of OEs in the different combinations were determined then the OE and the most active combination were retained to determine their kinetic parameters on S. flexneri. Results: Antibiotic susceptibility tests revealed that most Shigella isolates (n = 4) were resistant to six antibiotics tested. Ciprofloxacin (40%), Nalidixic acid (60%), Tetracycline (80%), Amoxicillin (100%), Cefotaxime (80%), Erythromycin (100%), and Cotrimoxazole (80%) were the profiles found in the different strains of Shigella. About the antibacterial activity of OEs, Drypetes gossweileriOE and C2 combination had shown a higher Shigellicide property with a Minimal Inhibitory Concentration(MIC) respectivelyranging from 0.078 mg/mL to 0.312 mg/mL and 0.012 to 1.562 mg/mL. Combinations of OEs showed various interactions whose synergistic effects were mostly encountered. The best deactivation was obtained by the combination C2 at 16 MIC withb= 1.962. Conclusion: the susceptibility of Shigella to OEs and their combinations justifies their use in traditional medicine in the treatment of shigellosis.

Keywords: shigella, multidrug-resistant, EOs, kinetic

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2729 Modeling of Nitrogen Solubility in Stainless Steel

Authors: Saeed Ghali, Hoda El-Faramawy, Mamdouh Eissa, Michael Mishreky

Abstract:

Scale-resistant austenitic stainless steel, X45CrNiW 18-9, has been developed, and modified steels produced through partial and total nickel replacement by nitrogen. These modified steels were produced in a 10 kg induction furnace under different nitrogen pressures and were cast into ingots. The produced modified stainless steels were forged, followed by air cooling. The phases of modified stainless steels have been investigated using the Schaeffler diagram, dilatometer, and microstructure observations. Both partial and total replacement of nickel using 0.33-0.50% nitrogen are effective in producing fully austenitic stainless steels. The nitrogen contents were determined and compared with those calculated using the Institute of Metal Science (IMS) equation. The results showed great deviations between the actual nitrogen contents and predicted values through IMS equation. So, an equation has been derived based on chemical composition, pressure, and temperature at 1600oC. [N%] = 0.0078 + 0.0406*X, where X is a function of chemical composition and nitrogen pressure. The derived equation has been used to calculate the nitrogen content of different steels using published data. The results reveal the difficulty of deriving a general equation for the prediction of nitrogen content covering different steel compositions. So, it is necessary to use a narrow composition range.

Keywords: solubility, nitrogen, stainless steel, Schaeffler

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2728 Laser Induced Transient Current in Quasi-One-Dimensional Nanostructure

Authors: Tokuei Sako

Abstract:

Light-induced ultrafast charge transfer in low-dimensional nanostructure has been studied by a model of a few electrons confined in a 1D electrostatic potential coupled to electrodes at both ends and subjected to an ultrashort pulsed laser field. The time-propagation of the one- and two-electron wave packets has been calculated by integrating the time-dependent Schrödinger equation by the symplectic integrator method with uniform Fourier grid. The temporal behavior of the resultant light-induced current in the studied systems has been discussed with respect to the central frequency and pulse width of the applied laser fields.

Keywords: pulsed laser field, nanowire, wave packet, quantum dots, conductivity

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2727 Prediction of Finned Projectile Aerodynamics Using a Lattice-Boltzmann Method CFD Solution

Authors: Zaki Abiza, Miguel Chavez, David M. Holman, Ruddy Brionnaud

Abstract:

In this paper, the prediction of the aerodynamic behavior of the flow around a Finned Projectile will be validated using a Computational Fluid Dynamics (CFD) solution, XFlow, based on the Lattice-Boltzmann Method (LBM). XFlow is an innovative CFD software developed by Next Limit Dynamics. It is based on a state-of-the-art Lattice-Boltzmann Method which uses a proprietary particle-based kinetic solver and a LES turbulent model coupled with the generalized law of the wall (WMLES). The Lattice-Boltzmann method discretizes the continuous Boltzmann equation, a transport equation for the particle probability distribution function. From the Boltzmann transport equation, and by means of the Chapman-Enskog expansion, the compressible Navier-Stokes equations can be recovered. However to simulate compressible flows, this method has a Mach number limitation because of the lattice discretization. Thanks to this flexible particle-based approach the traditional meshing process is avoided, the discretization stage is strongly accelerated reducing engineering costs, and computations on complex geometries are affordable in a straightforward way. The projectile that will be used in this work is the Army-Navy Basic Finned Missile (ANF) with a caliber of 0.03 m. The analysis will consist in varying the Mach number from M=0.5 comparing the axial force coefficient, normal force slope coefficient and the pitch moment slope coefficient of the Finned Projectile obtained by XFlow with the experimental data. The slope coefficients will be obtained using finite difference techniques in the linear range of the polar curve. The aim of such an analysis is to find out the limiting Mach number value starting from which the effects of high fluid compressibility (related to transonic flow regime) lead the XFlow simulations to differ from the experimental results. This will allow identifying the critical Mach number which limits the validity of the isothermal formulation of XFlow and beyond which a fully compressible solver implementing a coupled momentum-energy equations would be required.

Keywords: CFD, computational fluid dynamics, drag, finned projectile, lattice-boltzmann method, LBM, lift, mach, pitch

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2726 Enhanced Acquisition Time of a Quantum Holography Scheme within a Nonlinear Interferometer

Authors: Sergio Tovar-Pérez, Sebastian Töpfer, Markus Gräfe

Abstract:

The work proposes a technique that decreases the detection acquisition time of quantum holography schemes down to one-third; this allows the possibility to image moving objects. Since its invention, quantum holography with undetected photon schemes has gained interest in the scientific community. This is mainly due to its ability to tailor the detected wavelengths according to the needs of the scheme implementation. Yet this wavelength flexibility grants the scheme a wide range of possible applications; an important matter was yet to be addressed. Since the scheme uses digital phase-shifting techniques to retrieve the information of the object out of the interference pattern, it is necessary to acquire a set of at least four images of the interference pattern along with well-defined phase steps to recover the full object information. Hence, the imaging method requires larger acquisition times to produce well-resolved images. As a consequence, the measurement of moving objects remains out of the reach of the imaging scheme. This work presents the use and implementation of a spatial light modulator along with a digital holographic technique called quasi-parallel phase-shifting. This technique uses the spatial light modulator to build a structured phase image consisting of a chessboard pattern containing the different phase steps for digitally calculating the object information. Depending on the reduction in the number of needed frames, the acquisition time reduces by a significant factor. This technique opens the door to the implementation of the scheme for moving objects. In particular, the application of this scheme in imaging alive specimens comes one step closer.

Keywords: quasi-parallel phase shifting, quantum imaging, quantum holography, quantum metrology

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2725 Minimum Ratio of Flexural Reinforcement for High Strength Concrete Beams

Authors: Azad A. Mohammed, Dunyazad K. Assi, Alan S. Abdulrahman

Abstract:

Current ACI 318 Code provides two limits for minimum steel ratio for concrete beams. When concrete compressive strength be larger than 31 MPa the limit of √(fc')/4fy usually governs. In this paper shortcomings related to using this limit was fairly discussed and showed that the limit is based on 90% safety factor and was derived based on modulus of rupture equation suitable for concretes of compressive strength lower than 31 MPa. Accordingly, the limit is nor suitable and critical for concretes of higher compressive strength. An alternative equation was proposed for minimum steel ratio of rectangular beams and was found that the proposed limit is accurate for beams of wide range of concrete compressive strength. Shortcomings of the current ACI 318 Code equation and accuracy of the proposed equation were supported by test data obtained from testing six reinforced concrete beams.

Keywords: concrete beam, compressive strength, minimum steel ratio, modulus of rupture

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2724 Numerical Computation of Generalized Rosenau Regularized Long-Wave Equation via B-Spline Over Butcher’s Fifth Order Runge-Kutta Approach

Authors: Guesh Simretab Gebremedhin, Saumya Rajan Jena

Abstract:

In this work, a septic B-spline scheme has been used to simplify the process of solving an approximate solution of the generalized Rosenau-regularized long-wave equation (GR-RLWE) with initial boundary conditions. The resulting system of first-order ODEs has dealt with Butcher’s fifth order Runge-Kutta (BFRK) approach without using finite difference techniques for discretizing the time-dependent variables at each time level. Here, no transformation or any kind of linearization technique is employed to tackle the nonlinearity of the equation. Two test problems have been selected for numerical justifications and comparisons with other researchers on the basis of efficiency, accuracy, and results of the two invariants Mᵢ (mass) and Eᵢ (energy) of some motion that has been used to test the conservative properties of the proposed scheme.

Keywords: septic B-spline scheme, Butcher's fifth order Runge-Kutta approach, error norms, generalized Rosenau-RLW equation

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2723 Multiple-Lump-Type Solutions of the 2D Toda Equation

Authors: Jian-Ping Yu, Wen-Xiu Ma, Yong-Li Sun, Chaudry Masood Khalique

Abstract:

In this paper, a 2d Toda equation is studied, which is a classical integrable system and plays a vital role in mathematics, physics and other areas. New lump-type solution is constructed by using the Hirota bilinear method. One interesting feature of this research is that this lump-type solutions possesses two types of multiple-lump-type waves, which are one- and two-lump-type waves. Moreover, the corresponding 3d plots, density plots and contour plots are given to show the dynamical features of the obtained multiple-lump-type solutions.

Keywords: 2d Toda equation, Hirota bilinear method, Lump-type solution, multiple-lump-type solution

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2722 Synthesising Highly Luminescent CdTe Quantum Dots Using Cannula Hot Injection Method

Authors: Erdem Elibol, Musa Cadırcı, Nedim Tutkun

Abstract:

Recently, colloidal quantum dots (CQDs) have drawn increasing attention due to their unique size tunability, which makes them potential candidates for numerous applications including photovoltaic, LEDs, and imaging. However, the main challenge to exploit CQDs properly is that there has not been an effective method to produce them with highly crystalline form and narrow size dispersion. Hot injection method is one of the widely used techniques to produce high-quality nanoparticles. In this method, the key parameter is to reduce the time for injection of the precursors into each other, which yields fast and constant nucleation rate and hence to highly monodisperse QDs. In conventional hot injection method, the injection of precursors is carried out using standard lab syringes with long needles. However, this technique is relatively slow and thus will result in poor optical properties in QDs. In this work, highly luminescent CdTe QDs were synthesised by transferring hot precursors into each other using cannula method. Unlike regular syringe technique, with the help of high pressure difference between two precursors’ flasks and wide cross-section of cannula, the hot cannulation process is too short which yields narrow size distribution and high quantum yield of CdTe QDs. Here QDs with full width half maximum (FWHM) of 28 nm was achieved. In addition, the photoluminescence quantum yield of our samples was measured to be about 21 ± 0.9 which is at least twice the previous record values for CdTe QDs wherein syringe was used to transfer precursors.

Keywords: CdTe, hot injection method, luminescent, quantum dots

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2721 Thermophysical Properties and Kinetic Study of Dioscorea bulbifera

Authors: Emmanuel Chinagorom Nwadike, Joseph Tagbo Nwabanne, Matthew Ndubuisi Abonyi, Onyemazu Andrew Azaka

Abstract:

This research focused on the modeling of the convective drying of aerial yam using finite element methods. The thermo-gravimetric analyzer was used to determine the thermal stability of the sample. An aerial yam sample of size 30 x 20 x 4 mm was cut with a mold designed for the purpose and dried in a convective dryer set at 4m/s fan speed and temperatures of 68.58 and 60.56°C. The volume shrinkage of the resultant dried sample was determined by immersing the sample in a toluene solution. The finite element analysis was done with PDE tools in Matlab 2015. Seven kinetic models were employed to model the drying process. The result obtained revealed three regions in the thermogravimetric analysis (TGA) profile of aerial yam. The maximum thermal degradation rates of the sample occurred at 432.7°C. The effective thermal diffusivity of the sample increased as the temperature increased from 60.56°C to 68.58°C. The finite element prediction of moisture content of aerial yam at an air temperature of 68.58°C and 60.56°C shows R² of 0.9663 and 0.9155, respectively. There was a good agreement between the finite element predicted moisture content and the measured moisture content, which is indicative of a highly reliable finite element model developed. The result also shows that the best kinetic model for the aerial yam under the given drying conditions was the Logarithmic model with a correlation coefficient of 0.9991.

Keywords: aerial yam, finite element, convective, effective, diffusivity

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2720 The Prediction of Effective Equation on Drivers' Behavioral Characteristics of Lane Changing

Authors: Khashayar Kazemzadeh, Mohammad Hanif Dasoomi

Abstract:

According to the increasing volume of traffic, lane changing plays a crucial role in traffic flow. Lane changing in traffic depends on several factors including road geometrical design, speed, drivers’ behavioral characteristics, etc. A great deal of research has been carried out regarding these fields. Despite of the other significant factors, the drivers’ behavioral characteristics of lane changing has been emphasized in this paper. This paper has predicted the effective equation based on personal characteristics of lane changing by regression models.

Keywords: effective equation, lane changing, drivers’ behavioral characteristics, regression models

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2719 Batteryless DCM Boost Converter for Kinetic Energy Harvesting Applications

Authors: Andrés Gomez-Casseres, Rubén Contreras

Abstract:

In this paper, a bidirectional boost converter operated in Discontinuous Conduction Mode (DCM) is presented as a suitable power conditioning circuit for tuning of kinetic energy harvesters without the need of a battery. A nonlinear control scheme, composed by two linear controllers, is used to control the average value of the input current, enabling the synthesization of complex loads. The converter, along with the control system, is validated through SPICE simulations using the LTspice tool. The converter model and the controller transfer functions are derived. From the simulation results, it was found that the input current distortion increases with the introduced phase shift and that, such distortion, is almost entirely present at the zero-crossing point of the input voltage.

Keywords: average current control, boost converter, electrical tuning, energy harvesting

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2718 The Effect of Supercritical Fluid on the Extraction Efficiency of Heavy Metal from Soil

Authors: Haifa El-Sadi, Maria Elektorowicz, Reed Rushing, Ammar Badawieh, Asif Chaudry

Abstract:

Clay soils have particular properties that affect the assessment and remediation of contaminated sites. In clay soils, electro-kinetic transport of heavy metals has been carried out. The transport of these metals is predicated on maintaining a low pH throughout the cell, which, in turn, keeps the metals in the pore water phase where they are accessible to electro-kinetic transport. Supercritical fluid extraction and acid digestion were used for the analysis of heavy metals concentrations after the completion of electro-kinetic experimentation. Supercritical fluid (carbon dioxide) extraction is a new technique used to extract the heavy metal (lead, nickel, calcium and potassium) from clayey soil. The comparison between supercritical extraction and acid digestion of different metals was carried out. Supercritical fluid extraction, using ethylenediaminetetraacetic acid (EDTA) as a modifier, proved to be efficient and a safer technique than acid digestion technique in extracting metals from clayey soil. Mixing time of soil with EDTA before extracting heavy metals from clayey soil was investigated. The optimum and most practical shaking time for the extraction of lead, nickel, calcium and potassium was two hours.

Keywords: clay soil, heavy metals, supercritical fluid extraction, acid digestion

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2717 Removal of Basic Yellow 28 Dye from Aqueous Solutions Using Plastic Wastes

Authors: Nadjib Dahdouh, Samira Amokrane, Elhadj Mekatel, Djamel Nibou

Abstract:

The removal of Basic Yellow 28 (BY28) from aqueous solutions by plastic wastes PMMA was investigated. The characteristics of plastic wastes PMMA were determined by SEM, FTIR and chemical composition analysis. The effects of solution pH, initial Basic Yellow 28 (BY28) concentration C, solid/liquid ratio R, and temperature T were studied in batch experiments. The Freundlich and the Langmuir models have been applied to the adsorption process, and it was found that the equilibrium followed well Langmuir adsorption isotherm. A comparison of kinetic models applied to the adsorption of BY28 on the PMMA was evaluated for the pseudo-first-order and the pseudo-second-order kinetic models. It was found that used models were correlated with the experimental data. Intraparticle diffusion model was also used in these experiments. The thermodynamic parameters namely the enthalpy ∆H°, entropy ∆S° and free energy ∆G° of adsorption of BY28 on PMMA were determined. From the obtained results, the negative values of Gibbs free energy ∆G° indicated the spontaneity of the adsorption of BY28 by PMMA. The negative values of ∆H° revealed the exothermic nature of the process and the negative values of ∆S° suggest the stability of BY28 on the surface of SW PMMA.

Keywords: removal, Waste PMMA, BY28 dye, equilibrium, kinetic study, thermodynamic study

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2716 Step Method for Solving Nonlinear Two Delays Differential Equation in Parkinson’s Disease

Authors: H. N. Agiza, M. A. Sohaly, M. A. Elfouly

Abstract:

Parkinson's disease (PD) is a heterogeneous disorder with common age of onset, symptoms, and progression levels. In this paper we will solve analytically the PD model as a non-linear delay differential equation using the steps method. The step method transforms a system of delay differential equations (DDEs) into systems of ordinary differential equations (ODEs). On some numerical examples, the analytical solution will be difficult. So we will approximate the analytical solution using Picard method and Taylor method to ODEs.

Keywords: Parkinson's disease, step method, delay differential equation, two delays

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2715 Effect of Maize Straw-Derived Biochar on Imidacloprid Adsorption onto Soils Prior to No-Tillage and Rotary Tillage Practices

Authors: Jean Yves Uwamungu, Fiston Bizimana, Chunsheng Hu

Abstract:

Although pesticides are used in crop productivity, their use is highly harming the soil environment, and measures must be taken in the future to eradicate soil and groundwater pollution. The primary aim was to determine the effect of biochar addition on the imidacloprid adsorption on soil prior to no-tillage (NT) and rotational tillage (RT) conditions. In the laboratory, batch tests were conducted to determine the imidacloprid adsorption on soil using equilibrium and kinetic modelling with the addition of biochar. The clay level of the soil was found to be more significant when no-tillage was applied (22.42) than when rotational tillage was applied (14.27). The imidacloprid adsorption equilibrium was significantly shortened to 25 min after biochar addition. The isotherms and kinetic findings confirmed that the adsorption occurred according to Freundlich and pseudo-second-order kinetic models, respectively. The adsorption capacity of imidacloprid (40<35<25 °C) increased with decreasing temperature, indicating an exothermic adsorption behaviour, whereas negative Gibbs free energy (G) values of -6980.5 and 5983.93 Jmol-1, respectively, for soil prior to NT and RT at 25 °C, asserted spontaneous adsorption. The negative values of entropy (ΔS); -22.83 and -38.15 Jmol-1K-1, prior to NT and RT applications, respectively, described a lowered randomness process. The enthalpy was greater when RT was applied (-17533 J mol-1) than when NT was applied (-450 J mol-1). Lastly, it was shown that NTtreatment enhanced imidacloprid adsorption capacity more than RT treatment and that biochar addition enhanced pesticide adsorption in both treatments.

Keywords: adsorption, biochar, imidacloprid, soil, tillage

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2714 Time-Dependent Density Functional Theory of an Oscillating Electron Density around a Nanoparticle

Authors: Nilay K. Doshi

Abstract:

A theoretical probe describing the excited energy states of the electron density surrounding a nanoparticle (NP) is presented. An electromagnetic (EM) wave interacts with a NP much smaller than the incident wavelength. The plasmon that oscillates locally around the NP comprises of excited conduction electrons. The system is based on the Jellium model of a cluster of metal atoms. Hohenberg-Kohn (HK) equations and the variational Kohn-Sham (SK) scheme have been used to obtain the NP electron density in the ground state. Furthermore, a time-dependent density functional (TDDFT) theory is used to treat the excited states in a density functional theory (DFT) framework. The non-interacting fermionic kinetic energy is shown to be a functional of the electron density. The time dependent potential is written as the sum of the nucleic potential and the incoming EM field. This view of the quantum oscillation of the electron density is a part of the localized surface plasmon resonance.

Keywords: electron density, energy, electromagnetic, DFT, TDDFT, plasmon, resonance

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2713 Tailoring Quantum Oscillations of Excitonic Schrodinger’s Cats as Qubits

Authors: Amit Bhunia, Mohit Kumar Singh, Maryam Al Huwayz, Mohamed Henini, Shouvik Datta

Abstract:

We report [https://arxiv.org/abs/2107.13518] experimental detection and control of Schrodinger’s Cat like macroscopically large, quantum coherent state of a two-component Bose-Einstein condensate of spatially indirect electron-hole pairs or excitons using a resonant tunneling diode of III-V Semiconductors. This provides access to millions of excitons as qubits to allow efficient, fault-tolerant quantum computation. In this work, we measure phase-coherent periodic oscillations in photo-generated capacitance as a function of an applied voltage bias and light intensity over a macroscopically large area. Periodic presence and absence of splitting of excitonic peaks in the optical spectra measured by photocapacitance point towards tunneling induced variations in capacitive coupling between the quantum well and quantum dots. Observation of negative ‘quantum capacitance’ due to a screening of charge carriers by the quantum well indicates Coulomb correlations of interacting excitons in the plane of the sample. We also establish that coherent resonant tunneling in this well-dot heterostructure restricts the available momentum space of the charge carriers within this quantum well. Consequently, the electric polarization vector of the associated indirect excitons collective orients along the direction of applied bias and these excitons undergo Bose-Einstein condensation below ~100 K. Generation of interference beats in photocapacitance oscillation even with incoherent white light further confirm the presence of stable, long-range spatial correlation among these indirect excitons. We finally demonstrate collective Rabi oscillations of these macroscopically large, ‘multipartite’, two-level, coupled and uncoupled quantum states of excitonic condensate as qubits. Therefore, our study not only brings the physics and technology of Bose-Einstein condensation within the reaches of semiconductor chips but also opens up experimental investigations of the fundamentals of quantum physics using similar techniques. Operational temperatures of such two-component excitonic BEC can be raised further with a more densely packed, ordered array of QDs and/or using materials having larger excitonic binding energies. However, fabrications of single crystals of 0D-2D heterostructures using 2D materials (e.g. transition metal di-chalcogenides, oxides, perovskites etc.) having higher excitonic binding energies are still an open challenge for semiconductor optoelectronics. As of now, these 0D-2D heterostructures can already be scaled up for mass production of miniaturized, portable quantum optoelectronic devices using the existing III-V and/or Nitride based semiconductor fabrication technologies.

Keywords: exciton, Bose-Einstein condensation, quantum computation, heterostructures, semiconductor Physics, quantum fluids, Schrodinger's Cat

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2712 Free Vibration of Functionally Graded Smart Beams Based on the First Order Shear Deformation Theory

Authors: A. R. Nezamabadi, M. Veiskarami

Abstract:

This paper studies free vibration of simply supported functionally graded beams with piezoelectric layers based on the first order shear deformation theory. The Young's modulus of beam is assumed to be graded continuously across the beam thickness. The governing equation is established. Resulting equation is solved using the Euler's equation. The effects of the constituent volume fractions, the influences of applied voltage on the vibration frequency are presented. To investigate the accuracy of the present analysis, a compression study is carried out with a known data.

Keywords: mechanical buckling, functionally graded beam, first order shear deformation theory, free vibration

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2711 Application of Wavelet Based Approximation for the Solution of Partial Integro-Differential Equation Arising from Viscoelasticity

Authors: Somveer Singh, Vineet Kumar Singh

Abstract:

This work contributes a numerical method based on Legendre wavelet approximation for the treatment of partial integro-differential equation (PIDE). Operational matrices of Legendre wavelets reduce the solution of PIDE into the system of algebraic equations. Some useful results concerning the computational order of convergence and error estimates associated to the suggested scheme are presented. Illustrative examples are provided to show the effectiveness and accuracy of proposed numerical method.

Keywords: legendre wavelets, operational matrices, partial integro-differential equation, viscoelasticity

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2710 Exact Solutions of Discrete Sine-Gordon Equation

Authors: Chao-Qing Dai

Abstract:

Two families of exact travelling solutions for the discrete sine-Gordon equation are constructed based on the variable-coefficient Jacobian elliptic function method and different transformations. When the modulus of Jacobian elliptic function solutions tends to 1, soliton solutions can be obtained. Some soliton solutions degenerate into the known solutions in literatures. Moreover, dynamical properties of exact solutions are investigated. Our analysis and results may have potential values for certain applications in modern nonlinear science and textile engineering.

Keywords: exact solutions, variable-coefficient Jacobian elliptic function method, discrete sine-Gordon equation, dynamical behaviors

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2709 A Mathematical Based Prediction of the Forming Limit of Thin-Walled Sheet Metals

Authors: Masoud Ghermezi

Abstract:

Studying the sheet metals is one of the most important research areas in the field of metal forming due to their extensive applications in the aerospace industries. A useful method for determining the forming limit of these materials and consequently preventing the rupture of sheet metals during the forming process is the use of the forming limit curve (FLC). In addition to specifying the forming limit, this curve also delineates a boundary for the allowed values of strain in sheet metal forming; these characteristics of the FLC along with its accuracy of computation and wide range of applications have made this curve the basis of research in the present paper. This study presents a new model that not only agrees with the results obtained from the above mentioned theory, but also eliminates its shortcomings. In this theory, like in the M-K theory, a thin sheet with an inhomogeneity as a gradient thickness reduction with a sinusoidal function has been chosen and subjected to two-dimensional stress. Through analytical evaluation, ultimately, a governing differential equation has been obtained. The numerical solution of this equation for the range of positive strains (stretched region) yields the results that agree with the results obtained from M-K theory. Also the solution of this equation for the range of negative strains (tension region) completes the FLC curve. The findings obtained by applying this equation on two alloys with the hardening exponents of 0.4 and 0.24 indicate the validity of the presented equation.

Keywords: sheet metal, metal forming, forming limit curve (FLC), M-K theory

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2708 Fast and Accurate Finite-Difference Method Solving Multicomponent Smoluchowski Coagulation Equation

Authors: Alexander P. Smirnov, Sergey A. Matveev, Dmitry A. Zheltkov, Eugene E. Tyrtyshnikov

Abstract:

We propose a new computational technique for multidimensional (multicomponent) Smoluchowski coagulation equation. Using low-rank approximations in Tensor Train format of both the solution and the coagulation kernel, we accelerate the classical finite-difference Runge-Kutta scheme keeping its level of accuracy. The complexity of the taken finite-difference scheme is reduced from O(N^2d) to O(d^2 N log N ), where N is the number of grid nodes and d is a dimensionality of the problem. The efficiency and the accuracy of the new method are demonstrated on concrete problem with known analytical solution.

Keywords: tensor train decomposition, multicomponent Smoluchowski equation, runge-kutta scheme, convolution

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2707 Multiple Positive Solutions for Boundary Value Problem of Nonlinear Fractional Differential Equation

Authors: A. Guezane-Lakoud, S. Bensebaa

Abstract:

In this paper, we study a boundary value problem of nonlinear fractional differential equation. Existence and positivity results of solutions are obtained.

Keywords: positive solution, fractional caputo derivative, Banach contraction principle, Avery and Peterson fixed point theorem

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2706 Existence of positive periodic solutions for certain delay differential equations

Authors: Farid Nouioua, Abdelouaheb Ardjouni

Abstract:

In this article, we study the existence of positive periodic solutions of certain delay differential equations. In the process we convert the differential equation into an equivalent integral equation after which appropriate mappings are constructed. We then employ Krasnoselskii's fixed point theorem to obtain sufficient conditions for the existence of a positive periodic solution of the differential equation. The obtained results improve and extend the results in the literature. Finally, an example is given to illustrate our results.

Keywords: delay differential equations, positive periodic solutions, integral equations, Krasnoselskii fixed point theorem

Procedia PDF Downloads 413