Search results for: quantum mechanics of spin dynamics
3600 Investigation of Damage in Glass Subjected to Static Indentation Using Continuum Damage Mechanics
Authors: J. Ismail, F. Zaïri, M. Naït-Abdelaziz, Z. Azari
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In this work, a combined approach of continuum damage mechanics (CDM) and fracture mechanics is applied to model a glass plate behavior under static indentation. A spherical indenter is used and a CDM based constitutive model with an anisotropic damage tensor was selected and implemented into a finite element code to study the damage of glass. Various regions with critical damage values were predicted in good agreement with the experimental observations in the literature. In these regions, the directions of crack propagation, including both cracks initiating on the surface as well as in the bulk, were predicted using the strain energy density factor.Keywords: finite element modeling, continuum damage mechanics, indentation, cracks
Procedia PDF Downloads 3903599 Calculation Of Energy Gap Of (Ga,Mn)As Diluted Magnetic Semiconductor From The Eight-Band k.p Model
Authors: Khawlh A. Alzubaidi, Khadijah B. Alziyadi, Amor M. Alsayari
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Now a days (Ga, Mn) is one of the most extensively studied and best understood diluted magnetic semiconductors. Also, the study of (Ga, Mn)As is a fervent research area since it allows to explore of a variety of novel functionalities and spintronics concepts that could be implemented in the future. In this work, we will calculate the energy gap of (Ga, Mn)As using the eight-band model. In the Hamiltonian, the effects of spin-orbit, spin-splitting, and strain will be considered. The dependence of the energy gap on Mn content, and the effect of the strain, which is varied continuously from tensile to compressive, will be studied. Finally, analytical expressions for the (Ga, Mn)As energy band gap, taking into account both parameters (Mn concentration and strain), will be provided.Keywords: energy gap, diluted magnetic semiconductors, k.p method, strain
Procedia PDF Downloads 913598 Frequent-Flyer Program: The Connection between Commercial Partners and Spin-off
Authors: Changmin Jiang
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In this paper, we build a theoretical model to investigate the relationship between two recent trends in airline frequent-flyer programs (FFPs): the adoption of the “coalition” business model with other commercial partners, and the separation from airlines’ operations. We show that commercial partners benefit from teaming up with FFP, while increasing the number of commercial partners will increase the total profit; it reduces the average profit of the parties involved. Furthermore, we show that the number of commercial partners of an FFP is negatively related with the benefit to keep the FFP in-house.Keywords: frequent flyer program, coalition, commercial partners, spin-off
Procedia PDF Downloads 2533597 A Novel Way to Create Qudit Quantum Error Correction Codes
Authors: Arun Moorthy
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Quantum computing promises to provide algorithmic speedups for a number of tasks; however, similar to classical computing, effective error-correcting codes are needed. Current quantum computers require costly equipment to control each particle, so having fewer particles to control is ideal. Although traditional quantum computers are built using qubits (2-level systems), qudits (more than 2-levels) are appealing since they can have an equivalent computational space using fewer particles, meaning fewer particles need to be controlled. Currently, qudit quantum error-correction codes are available for different level qudit systems; however, these codes have sometimes overly specific constraints. When building a qudit system, it is important for researchers to have access to many codes to satisfy their requirements. This project addresses two methods to increase the number of quantum error correcting codes available to researchers. The first method is generating new codes for a given set of parameters. The second method is generating new error-correction codes by using existing codes as a starting point to generate codes for another level (i.e., a 5-level system code on a 2-level system). So, this project builds a website that researchers can use to generate new error-correction codes or codes based on existing codes.Keywords: qudit, error correction, quantum, qubit
Procedia PDF Downloads 1303596 Inhibition of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase from Mycobacterium Tuberculosis Using High Throughput Virtual Screening and Molecular Dynamics Studies
Authors: Christy Rosaline, Rathankar Roa, Waheeta Hopper
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Persistence of tuberculosis, emergence of multidrug-resistance and extensively drug-resistant forms of the disease, has increased the interest in developing new antitubercular drugs. Developing inhibitors for 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis (MtbDAH7Ps), an enzyme involved in shikimate pathway, gives a selective target for antitubercular agents. MtbDAH7Ps was screened against ZINC database, and shortlisted compounds were subjected to induce fit docking. Prime/Molecular Mechanics Generalized Born Surface Area calculation was used to validate the binding energy of ligand-protein complex. Molecular Dynamics analysis for of the lead compounds–MtbDAH7Ps complexes showed that the backbone of MtbDAH7Ps in their complexes were stable. These results suggest that the shortlisted lead compounds ZINC04097114, ZINC15163225, ZINC16857013, ZINC06275603, and ZINC05331260 could be developed into novel drug leads to inhibit DAH7Ps in Mycobacterium tuberculosis.Keywords: MtbDAH7Ps, Mycobacterium tuberculosis, HTVS, molecular dynamics
Procedia PDF Downloads 1493595 Assessment of Exploitation Vulnerability of Quantum Communication Systems with Phase Encryption
Authors: Vladimir V. Nikulin, Bekmurza H. Aitchanov, Olimzhon A. Baimuratov
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Quantum communication technology takes advantage of the intrinsic properties of laser carriers, such as very high data rates and low power requirements, to offer unprecedented data security. Quantum processes at the physical layer of encryption are used for signal encryption with very competitive performance characteristics. The ultimate range of applications for QC systems spans from fiber-based to free-space links and from secure banking operations to mobile airborne and space-borne networking where they are subjected to channel distortions. Under practical conditions, the channel can alter the optical wave front characteristics, including its phase. In addition, phase noise of the communication source and photo-detection noises alter the signal to bring additional ambiguity into the measurement process. If quantized values of photons are used to encrypt the signal, exploitation of quantum communication links becomes extremely difficult. In this paper, we present the results of analysis and simulation studies of the effects of noise on phase estimation for quantum systems with different number of encryption bases and operating at different power levels.Keywords: encryption, phase distortion, quantum communication, quantum noise
Procedia PDF Downloads 5243594 Shock Compressibility of Iron Alloys Calculated in the Framework of Quantum-Statistical Models
Authors: Maxim A. Kadatskiy, Konstantin V. Khishchenko
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Iron alloys are widespread components in various types of structural materials which are exposed to intensive thermal and mechanical loads. Various quantum-statistical cell models with the approximation of self-consistent field can be used for the prediction of the behavior of these materials under extreme conditions. The application of these models is even more valid, the higher the temperature and the density of matter. Results of Hugoniot calculation for iron alloys in the framework of three quantum-statistical (the Thomas–Fermi, the Thomas–Fermi with quantum and exchange corrections and the Hartree–Fock–Slater) models are presented. Results of quantum-statistical calculations are compared with results from other reliable models and available experimental data. It is revealed a good agreement between results of calculation and experimental data for terra pascal pressures. Advantages and disadvantages of this approach are shown.Keywords: alloy, Hugoniot, iron, terapascal pressure
Procedia PDF Downloads 3133593 Many-Body Effect on Optical Gain of n+ Doping Tensile-Strained Ge/GeSiSn Quantum Wells
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The many-body effect on band structure and optical gain of n+ doping tensile-strained Ge/GeSiSn quantum wells are investigated by using an 8-band k•p method. Phase diagram of Ge/GeSiSn quantum well is obtained. The E-k dispersion curves, band gap renormalization and optical gain spectra including many-body effect will be calculated and discussed. We find that the k.p method without many-body effect will overestimate the optical gain and transition energy.Keywords: Si photonics, many-body effect, optical gain, Ge-on-Si, Quantum well
Procedia PDF Downloads 7063592 Modeling and Simulation of InAs/GaAs and GaSb/GaAS Quantum Dot Solar Cells in SILVACO TCAD
Authors: Fethi Benyettou, Abdelkader Aissat, M. A. Benammar
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In this work, we use Silvaco TCAD software for modeling and simulations of standard GaAs solar cell, InAs/GaAs and GaSb/GaAs p-i-n quantum dot solar cell. When comparing 20-layer InAs/GaAs, GaSb/GaAs quantum dots solar cells with standard GaAs solar cell, the conversion efficiency in simulation results increased from 16.48 % to 22.6% and 16.48% to 22.42% respectively. Also, the absorption range edge of photons with low energies extended from 900 nm to 1200 nm.Keywords: SILVACO TCAD, the quantum dot, simulation, materials engineering
Procedia PDF Downloads 4543591 Free Convection from a Perforated Spinning Cone with Heat Generation, Temperature-Dependent Viscosity and Partial Slip
Authors: Gilbert Makanda
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The problem of free convection from a perforated spinning cone with viscous dissipation, temperature-dependent viscosity, and partial slip was studied. The boundary layer velocity and temperature profiles were numerically computed for different values of the spin, viscosity variation, inertia drag force, Eckert, suction/blowing parameters. The partial differential equations were transformed into a system of ordinary differential equations which were solved using the fourth-order Runge-Kutta method. This paper considered the effect of partial slip and spin parameters on the swirling velocity profiles which are rarely reported in the literature. The results obtained by this method was compared to those in the literature and found to be in agreement. Increasing the viscosity variation parameter, spin, partial slip, Eckert number, Darcian drag force parameters reduce swirling velocity profiles.Keywords: free convection, suction/injection, partial slip, viscous dissipation
Procedia PDF Downloads 2233590 High Harmonics Generation in Hexagonal Graphene Quantum Dots
Authors: Armenuhi Ghazaryan, Qnarik Poghosyan, Tadevos Markosyan
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We have considered the high-order harmonic generation in-plane graphene quantum dots of hexagonal shape by the independent quasiparticle approximation-tight binding model. We have investigated how such a nonlinear effect is affected by a strong optical wave field, quantum dot typical band gap and lateral size, and dephasing processes. The equation of motion for the density matrix is solved by performing the time integration with the eight-order Runge-Kutta algorithm. If the optical wave frequency is much less than the quantum dot intrinsic band gap, the main aspects of multiphoton high harmonic emission in quantum dots are revealed. In such a case, the dependence of the cutoff photon energy on the strength of the optical pump wave is almost linear. But when the wave frequency is comparable to the bandgap of the quantum dot, the cutoff photon energy shows saturation behavior with an increase in the wave field strength.Keywords: strong wave field, multiphoton, bandgap, wave field strength, nanostructure
Procedia PDF Downloads 1073589 Classification on Statistical Distributions of a Complex N-Body System
Authors: David C. Ni
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Contemporary models for N-body systems are based on temporal, two-body, and mass point representation of Newtonian mechanics. Other mainstream models include 2D and 3D Ising models based on local neighborhood the lattice structures. In Quantum mechanics, the theories of collective modes are for superconductivity and for the long-range quantum entanglement. However, these models are still mainly for the specific phenomena with a set of designated parameters. We are therefore motivated to develop a new construction directly from the complex-variable N-body systems based on the extended Blaschke functions (EBF), which represent a non-temporal and nonlinear extension of Lorentz transformation on the complex plane – the normalized momentum spaces. A point on the complex plane represents a normalized state of particle momentums observed from a reference frame in the theory of special relativity. There are only two key parameters, normalized momentum and nonlinearity for modelling. An algorithm similar to Jenkins-Traub method is adopted for solving EBF iteratively. Through iteration, the solution sets show a form of σ + i [-t, t], where σ and t are the real numbers, and the [-t, t] shows various distributions, such as 1-peak, 2-peak, and 3-peak etc. distributions and some of them are analog to the canonical distributions. The results of the numerical analysis demonstrate continuum-to-discreteness transitions, evolutional invariance of distributions, phase transitions with conjugate symmetry, etc., which manifest the construction as a potential candidate for the unification of statistics. We hereby classify the observed distributions on the finite convergent domains. Continuous and discrete distributions both exist and are predictable for given partitions in different regions of parameter-pair. We further compare these distributions with canonical distributions and address the impacts on the existing applications.Keywords: blaschke, lorentz transformation, complex variables, continuous, discrete, canonical, classification
Procedia PDF Downloads 2773588 Biophysical Consideration in the Interaction of Biological Cell Membranes with Virus Nanofilaments
Authors: Samaneh Farokhirad, Fatemeh Ahmadpoor
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Biological membranes are constantly in contact with various filamentous soft nanostructures that either reside on their surface or are being transported between the cell and its environment. In particular, viral infections are determined by the interaction of viruses (such as filovirus) with cell membranes, membrane protein organization (such as cytoskeletal proteins and actin filament bundles) has been proposed to influence the mechanical properties of lipid membranes, and the adhesion of filamentous nanoparticles influence their delivery yield into target cells or tissues. The goal of this research is to integrate the rapidly increasing but still fragmented experimental observations on the adhesion and self-assembly of nanofilaments (including filoviruses, actin filaments, as well as natural and synthetic nanofilaments) on cell membranes into a general, rigorous, and unified knowledge framework. The global outbreak of the coronavirus disease in 2020, which has persisted for over three years, highlights the crucial role that nanofilamentbased delivery systems play in human health. This work will unravel the role of a unique property of all cell membranes, namely flexoelectricity, and the significance of nanofilaments’ flexibility in the adhesion and self-assembly of nanofilaments on cell membranes. This will be achieved utilizing a set of continuum mechanics, statistical mechanics, and molecular dynamics and Monte Carlo simulations. The findings will help address the societal needs to understand biophysical principles that govern the attachment of filoviruses and flexible nanofilaments onto the living cells and provide guidance on the development of nanofilament-based vaccines for a range of diseases, including infectious diseases and cancer.Keywords: virus nanofilaments, cell mechanics, computational biophysics, statistical mechanics
Procedia PDF Downloads 613587 To Ensure Maximum Voter Privacy in E-Voting Using Blockchain, Convolutional Neural Network, and Quantum Key Distribution
Authors: Bhaumik Tyagi, Mandeep Kaur, Kanika Singla
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The advancement of blockchain has facilitated scholars to remodel e-voting systems for future generations. Server-side attacks like SQL injection attacks and DOS attacks are the most common attacks nowadays, where malicious codes are injected into the system through user input fields by illicit users, which leads to data leakage in the worst scenarios. Besides, quantum attacks are also there which manipulate the transactional data. In order to deal with all the above-mentioned attacks, integration of blockchain, convolutional neural network (CNN), and Quantum Key Distribution is done in this very research. The utilization of blockchain technology in e-voting applications is not a novel concept. But privacy and security issues are still there in a public and private blockchains. To solve this, the use of a hybrid blockchain is done in this research. This research proposed cryptographic signatures and blockchain algorithms to validate the origin and integrity of the votes. The convolutional neural network (CNN), a normalized version of the multilayer perceptron, is also applied in the system to analyze visual descriptions upon registration in a direction to enhance the privacy of voters and the e-voting system. Quantum Key Distribution is being implemented in order to secure a blockchain-based e-voting system from quantum attacks using quantum algorithms. Implementation of e-voting blockchain D-app and providing a proposed solution for the privacy of voters in e-voting using Blockchain, CNN, and Quantum Key Distribution is done.Keywords: hybrid blockchain, secure e-voting system, convolutional neural networks, quantum key distribution, one-time pad
Procedia PDF Downloads 543586 Mapping Tunnelling Parameters for Global Optimization in Big Data via Dye Laser Simulation
Authors: Sahil Imtiyaz
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One of the biggest challenges has emerged from the ever-expanding, dynamic, and instantaneously changing space-Big Data; and to find a data point and inherit wisdom to this space is a hard task. In this paper, we reduce the space of big data in Hamiltonian formalism that is in concordance with Ising Model. For this formulation, we simulate the system using dye laser in FORTRAN and analyse the dynamics of the data point in energy well of rhodium atom. After mapping the photon intensity and pulse width with energy and potential we concluded that as we increase the energy there is also increase in probability of tunnelling up to some point and then it starts decreasing and then shows a randomizing behaviour. It is due to decoherence with the environment and hence there is a loss of ‘quantumness’. This interprets the efficiency parameter and the extent of quantum evolution. The results are strongly encouraging in favour of the use of ‘Topological Property’ as a source of information instead of the qubit.Keywords: big data, optimization, quantum evolution, hamiltonian, dye laser, fermionic computations
Procedia PDF Downloads 1723585 Reconstruction of Holographic Dark Energy in Chameleon Brans-Dicke Cosmology
Authors: Surajit Chattopadhyay
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Accelerated expansion of the current universe is well-established in the literature. Dark energy and modified gravity are two approaches to account for this accelerated expansion. In the present work, we consider scalar field models of dark energy, namely, tachyon and DBI essence in the framework of chameleon Brans-Dicke cosmology. The equation of state parameter is reconstructed and the subsequent cosmological implications are studied. We examined the stability for the obtained solutions of the crossing of the phantom divide under a quantum correction of massless conformally invariant fields and we have seen that quantum correction could be small when the phantom crossing occurs and the obtained solutions of the phantom crossing could be stable under the quantum correction. In the subsequent phase, we have established a correspondence between the NHDE model and the quintessence, the DBI-essence and the tachyon scalar field models in the framework of chameleon Brans–Dicke cosmology. We reconstruct the potentials and the dynamics for these three scalar field models we have considered. The reconstructed potentials are found to increase with the evolution of the universe and in a very late stage they are observed to decay.Keywords: dark energy, holographic principle, modified gravity, reconstruction
Procedia PDF Downloads 3813584 FTIR and AFM Properties of Doubly Doped Tin Oxide Thin Films Prepared by Spin Coating Technique
Authors: Bahattin Duzgun, Adem Kocyigit, Demet Tatar, Ahmet Battal
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Tin oxide thin films are semiconductor materials highly transparent and with high mechanical and chemical stability, except for their interactions with oxygen atoms at high temperature. Many dopants, such as antimony (Sb), arsenic (As), fluorine (F), indium (In), molybdenum and (Mo) etc. have been used to improve the electrical properties of tin oxide films. Among these, Sb and F are found to be the most commonly used dopants for solar cell layers. Also Tin oxide tin films investigated and characterized by researchers different film deposition and analysis method. In this study, tin oxide thin films are deposited on glass substrate by spin coating technique and characterized by FTIR and AFM. FTIR spectroscopy revealed that all films have O-Sn-O and Sn-OH vibration bonds not changing with layer effect. AFM analysis indicates that all films are homogeneity and uniform. It can be seen that all films have needle shape structure in their surfaces. Uniformity and homogeneity of the films generally increased for increasing layers. The results found in present study showed that doubly doped SnO2 thin films is a good candidate for solar cells and other optoelectronic and technological applications.Keywords: doubly doped, spin coating, FTIR analysis, AFM analysis
Procedia PDF Downloads 4183583 The Light-Effect in Cylindrical Quantum Wire with an Infinite Potential for the Case of Electrons: Optical Phonon Scattering
Authors: Hoang Van Ngoc, Nguyen Vu Nhan, Nguyen Quang Bau
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The light-effect in cylindrical quantum wire with an infinite potential for the case of electrons, optical phonon scattering, is studied based on the quantum kinetic equation. The density of the direct current in a cylindrical quantum wire by a linearly polarized electromagnetic wave, a DC electric field, and an intense laser field is calculated. Analytic expressions for the density of the direct current are studied as a function of the frequency of the laser radiation field, the frequency of the linearly polarized electromagnetic wave, the temperature of system, and the size of quantum wire. The density of the direct current in cylindrical quantum wire with an infinite potential for the case of electrons – optical phonon scattering is nonlinearly dependent on the frequency of the linearly polarized electromagnetic wave. The analytic expressions are numerically evaluated and plotted for a specific quantum wire, GaAs/GaAsAl.Keywords: the light–effect, cylindrical quantum wire with an infinite potential, the density of the direct current, electrons-optical phonon scattering
Procedia PDF Downloads 3073582 The High Precision of Magnetic Detection with Microwave Modulation in Solid Spin Assembly of NV Centres in Diamond
Authors: Zongmin Ma, Shaowen Zhang, Yueping Fu, Jun Tang, Yunbo Shi, Jun Liu
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Solid-state quantum sensors are attracting wide interest because of their high sensitivity at room temperature. In particular, spin properties of nitrogen–vacancy (NV) color centres in diamond make them outstanding sensors of magnetic fields, electric fields and temperature under ambient conditions. Much of the work on NV magnetic sensing has been done so as to achieve the smallest volume, high sensitivity of NV ensemble-based magnetometry using micro-cavity, light-trapping diamond waveguide (LTDW), nano-cantilevers combined with MEMS (Micro-Electronic-Mechanical System) techniques. Recently, frequency-modulated microwaves with continuous optical excitation method have been proposed to achieve high sensitivity of 6 μT/√Hz using individual NV centres at nanoscale. In this research, we built-up an experiment to measure static magnetic field through continuous wave optical excitation with frequency-modulated microwaves method under continuous illumination with green pump light at 532 nm, and bulk diamond sample with a high density of NV centers (1 ppm). The output of the confocal microscopy was collected by an objective (NA = 0.7) and detected by a high sensitivity photodetector. We design uniform and efficient excitation of the micro strip antenna, which is coupled well with the spin ensembles at 2.87 GHz for zero-field splitting of the NV centers. Output of the PD signal was sent to an LIA (Lock-In Amplifier) modulated signal, generated by the microwave source by IQ mixer. The detected signal is received by the photodetector, and the reference signal enters the lock-in amplifier to realize the open-loop detection of the NV atomic magnetometer. We can plot ODMR spectra under continuous-wave (CW) microwave. Due to the high sensitivity of the lock-in amplifier, the minimum detectable value of the voltage can be measured, and the minimum detectable frequency can be made by the minimum and slope of the voltage. The magnetic field sensitivity can be derived from η = δB√T corresponds to a 10 nT minimum detectable shift in the magnetic field. Further, frequency analysis of the noise in the system indicates that at 10Hz the sensitivity less than 10 nT/√Hz.Keywords: nitrogen-vacancy (NV) centers, frequency-modulated microwaves, magnetic field sensitivity, noise density
Procedia PDF Downloads 4113581 Ground State Phases in Two-Mode Quantum Rabi Models
Authors: Suren Chilingaryan
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We study two models describing a single two-level system coupled to two boson field modes in either a parallel or orthogonal setup. Both models may be feasible for experimental realization through Raman adiabatic driving in cavity QED. We study their ground state configurations; that is, we find the quantum precursors of the corresponding semi-classical phase transitions. We found that the ground state configurations of both models present the same critical coupling as the quantum Rabi model. Around this critical coupling, the ground state goes from the so-called normal configuration with no excitation, the qubit in the ground state and the fields in the quantum vacuum state, to a ground state with excitations, the qubit in a superposition of ground and excited state, while the fields are not in the vacuum anymore, for the first model. The second model shows a more complex ground state configuration landscape where we find the normal configuration mentioned above, two single-mode configurations, where just one of the fields and the qubit are excited, and a dual-mode configuration, where both fields and the qubit are excited.Keywords: quantum optics, quantum phase transition, cavity QED, circuit QED
Procedia PDF Downloads 3323580 Boryl Radical-Promoted Dehydroxylative Alkylation of 3-Hydroxyoxindole Derivatives
Authors: Tesfaye Tebeka Simur, Tian-Yu Peng, Yi-Feng Wang, Xiu-Wei Wu, Feng-Lian Zhang
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A boryl radical-promoted dehydroxylative alkylation of 3-hydroxy-oxindole derivatives is achieved. The reaction starts from addition of 4-dimethylaminopyridine (DMAP)-boryl radical to the amide carbonyl oxygen atom, which induces a spin-center shift process to promote the C−O bond cleavage. The elimination of a hydroxide anion from a free hydroxy group is also accomplished. Capture of the generated carbon radical with alkenes furnishes a variety of C-3 alkylated oxindoles. This method features a simple operation and broad substrate scope.Keywords: boryl radical, C-O, C-F, C=C, C=N bond activation, spin center shift
Procedia PDF Downloads 643579 Comparison of Pbs/Zns Quantum Dots Synthesis Methods
Authors: Mahbobeh Bozhmehrani, Afshin Farah Bakhsh
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Nanoparticles with PbS core of 12 nm and shell of approximately 3 nm were synthesized at PbS:ZnS ratios of 1.01:0.1 using Merca Ptopropionic Acid as stabilizing agent. PbS/ZnS nanoparticles present a dramatically increase of Photoluminescence intensity, confirming the confinement of the PbS core by increasing the Quantum Yield from 0.63 to 0.92 by the addition of the ZnS shell. In this case, the synthesis by microwave method allows obtaining nanoparticles with enhanced optical characteristics than those of nanoparticles synthesized by colloidal method.Keywords: Pbs/Zns, quantum dots, colloidal method, microwave
Procedia PDF Downloads 2523578 DNA-Polycation Condensation by Coarse-Grained Molecular Dynamics
Authors: Titus A. Beu
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Many modern gene-delivery protocols rely on condensed complexes of DNA with polycations to introduce the genetic payload into cells by endocytosis. In particular, polyethyleneimine (PEI) stands out by a high buffering capacity (enabling the efficient condensation of DNA) and relatively simple fabrication. Realistic computational studies can offer essential insights into the formation process of DNA-PEI polyplexes, providing hints on efficient designs and engineering routes. We present comprehensive computational investigations of solvated PEI and DNA-PEI polyplexes involving calculations at three levels: ab initio, all-atom (AA), and coarse-grained (CG) molecular mechanics. In the first stage, we developed a rigorous AA CHARMM (Chemistry at Harvard Macromolecular Mechanics) force field (FF) for PEI on the basis of accurate ab initio calculations on protonated model pentamers. We validated this atomistic FF by matching the results of extensive molecular dynamics (MD) simulations of structural and dynamical properties of PEI with experimental data. In a second stage, we developed a CG MARTINI FF for PEI by Boltzmann inversion techniques from bead-based probability distributions obtained from AA simulations and ensuring an optimal match between the AA and CG structural and dynamical properties. In a third stage, we combined the developed CG FF for PEI with the standard MARTINI FF for DNA and performed comprehensive CG simulations of DNA-PEI complex formation and condensation. Various technical aspects which are crucial for the realistic modeling of DNA-PEI polyplexes, such as options of treating electrostatics and the relevance of polarizable water models, are discussed in detail. Massive CG simulations (with up to 500 000 beads) shed light on the mechanism and provide time scales for DNA polyplex formation independence of PEI chain size and protonation pattern. The DNA-PEI condensation mechanism is shown to primarily rely on the formation of DNA bundles, rather than by changes of the DNA-strand curvature. The gained insights are expected to be of significant help for designing effective gene-delivery applications.Keywords: DNA condensation, gene-delivery, polyethylene-imine, molecular dynamics.
Procedia PDF Downloads 933577 Ultrafast Transistor Laser Containing Graded Index Separate Confinement Heterostructure
Authors: Mohammad Hosseini
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Ultrafast transistor laser investigated here has the graded index separate confinement heterostructure (GRIN-SCH) in its base region. Resonance-free optical frequency response with -3dB bandwidth of more than 26 GHz has been achieved for a single quantum well transistor laser by using graded index layers of AlξGa1-ξAs (ξ: 0.1→0) on the left side of the quantum well and AlξGa1-ξAs (ξ: 0.05→0) in the right side of quantum well. All required parameters, including quantum well and base transit time, optical confinement factor and spontaneous recombination lifetime, have been calculated using a self-consistent charge control model.Keywords: transistor laser, ultrafast, GRIN-SCH, -3db optical bandwidth, AlξGa1-ξAs
Procedia PDF Downloads 1153576 The Hall Coefficient and Magnetoresistance in Rectangular Quantum Wires with Infinitely High Potential under the Influence of a Laser Radiation
Authors: Nguyen Thu Huong, Nguyen Quang Bau
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The Hall Coefficient (HC) and the Magnetoresistance (MR) have been studied in two-dimensional systems. The HC and the MR in Rectangular Quantum Wire (RQW) subjected to a crossed DC electric field and magnetic field in the presence of a Strong Electromagnetic Wave (EMW) characterized by electric field are studied in this work. Using the quantum kinetic equation for electrons interacting with optical phonons, we obtain the analytic expressions for the HC and the MR with a dependence on magnetic field, EMW frequency, temperatures of systems and the length characteristic parameters of RQW. These expressions are different from those obtained for bulk semiconductors and cylindrical quantum wires. The analytical results are applied to GaAs/GaAs/Al. For this material, MR depends on the ratio of the EMW frequency to the cyclotron frequency. Indeed, MR reaches a minimum at the ratio 5/4, and when this ratio increases, it tends towards a saturation value. The HC can take negative or positive values. Each curve has one maximum and one minimum. When magnetic field increases, the HC is negative, achieves a minimum value and then increases suddenly to a maximum with a positive value. This phenomenon differs from the one observed in cylindrical quantum wire, which does not have maximum and minimum values.Keywords: hall coefficient, rectangular quantum wires, electron-optical phonon interaction, quantum kinetic equation
Procedia PDF Downloads 4573575 Frustration Measure for Dipolar Spin Ice and Spin Glass
Authors: Konstantin Nefedev, Petr Andriushchenko
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Usually under the frustrated magnetics, it understands such materials, in which ones the interaction between located magnetic moments or spins has competing character, and can not to be satisfied simultaneously. The most well-known and simplest example of the frustrated system is antiferromagnetic Ising model on the triangle. Physically, the existence of frustrations means, that one cannot select all three pairs of spins anti-parallel in the basic unit of the triangle. In physics of the interacting particle systems, the vector models are used, which are constructed on the base of the pair-interaction law. Each pair interaction energy between one-component vectors can take two opposite in sign values, excluding the case of zero. Mathematically, the existence of frustrations in system means that it is impossible to have all negative energies of pair interactions in the Hamiltonian even in the ground state (lowest energy). In fact, the frustration is the excitation, which leaves in system, when thermodynamics does not work, i.e. at the temperature absolute zero. The origin of the frustration is the presence at least of one ''unsatisfied'' pair of interacted spins (magnetic moments). The minimal relative quantity of these excitations (relative quantity of frustrations in ground state) can be used as parameter of frustration. If the energy of the ground state is Egs, and summary energy of all energy of pair interactions taken with a positive sign is Emax, that proposed frustration parameter pf takes values from the interval [0,1] and it is defined as pf=(Egs+Emax)/2Emax. For antiferromagnetic Ising model on the triangle pf=1/3. We calculated the parameters of frustration in thermodynamic limit for different 2D periodical structures of Ising dipoles, which were on the ribs of the lattice and interact by means of the long-range dipolar interaction. For the honeycomb lattice pf=0.3415, triangular - pf=0.2468, kagome - pf=0.1644. All dependencies of frustration parameter from 1/N obey to the linear law. The given frustration parameter allows to consider the thermodynamics of all magnetic systems from united point of view and to compare the different lattice systems of interacting particle in the frame of vector models. This parameter can be the fundamental characteristic of frustrated systems. It has no dependence from temperature and thermodynamic states, in which ones the system can be found, such as spin ice, spin glass, spin liquid or even spin snow. It shows us the minimal relative quantity of excitations, which ones can exist in system at T=0.Keywords: frustrations, parameter of order, statistical physics, magnetism
Procedia PDF Downloads 1453574 Special Properties of the Zeros of the Analytic Representations of Finite Quantum Systems
Authors: Muna Tabuni
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The paper contains an investigation on the special properties of the zeros of the analytic representations of finite quantum systems. These zeros and their paths completely define the finite quantum system. The present paper studies the construction of the analytic representation from its zeros. The analytic functions of finite quantum systems are introduced. The zeros of the analytic theta functions and their paths have been studied. The analytic function f(z) have exactly d zeros. The analytic function has been constructed from its zeros.Keywords: construction, analytic, representation, zeros
Procedia PDF Downloads 1823573 Anti-Site Disorder Effects on the Magnetic Properties of Sm₂NiMnO₆ Thin Films
Authors: Geetanjali Singh, R. J. Choudhary, Anjana Dogra
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Here we report the effects of anti-site disorder, present in the sample, on the magnetic properties of Sm₂NiMnO₆ (SNMO) thin films. To our best knowledge, there are no studies available on the thin films of SNMO. Thin films were grown using pulsed laser deposition technique on SrTiO₃ (STO) substrate under oxygen pressure of 800 mTorr. X-ray diffraction (XRD) profiles show that the film grown is epitaxial. Field cooled (FC) and zero field cooled (ZFC) magnetization curve increase as we decrease the temperature till ~135K. A broad dip was observed in both the curves below this temperature which is more dominating in ZFC curve. An additional sharp cusplike shape was observed at low temperature (~20 K) which is due to the re-entrant spin-glass like properties present in the sample. Super-exchange interaction between Ni²⁺-O-Mn⁴⁺ is attributed to the FM ordering in these samples. The spin-glass feature is due to anti-site disorder within the homogeneous sample which was stated to be due to the mixed valence states Ni³⁺ and Mn³⁺ present in the sample. Anti-site disorder was found to play very crucial role in different magnetic phases of the sample.Keywords: double perovskite, pulsed laser deposition, spin-glass, magnetization
Procedia PDF Downloads 2313572 Ultrastrong Coupling of CdZnS/ZnS Quantum Dots and Breathing Plasmons in Aluminum Metal-Insulator-Metal Nanocavities in Near-Ultraviolet Spectrum
Authors: Li Li, Lei Wang, Chenglin Du, Mengxin Ren, Xinzheng Zhang, Wei Cai, Jingjun Xu
Abstract:
Strong coupling between excitons of quantum dots and plasmons in nanocavites can be realized at room temperature due to the strong confinement of the plasmon fields, which offers building blocks for quantum information systems or ultralow-power switches and lasers. In this work, by using cathodoluminescence, ultrastrong coupling with Rabi splitting above 1 eV between breathing plasmons in Aluminum metal-insulator-metal (MIM) cavity and excited state of CdZnS/ZnS quantum dots was reported in near-UV spectrum. Analytic analysis and full-wave electromagnetic simulations provide the evidence for the strong coupling and confirm the hybridization of the QDs exciton and LSP breathing mode. This study opens the way for new emerging applications based on strongly coupled light-matter states all over the visible region down to ultra-violet frequencies.Keywords: breathing mode, plasmonics, quantum dot, strong coupling, ultraviolet
Procedia PDF Downloads 1743571 Photoreflectance Anisotropy Spectroscopy of Coupled Quantum Wells
Authors: J. V. Gonzalez Fernandez, T. Mozume, S. Gozu, A. Lastras Martinez, L. F. Lastras Martinez, J. Ortega Gallegos, R. E. Balderas Navarro
Abstract:
We report on a theoretical-experimental study of photoreflectance anisotropy (PRA) spectroscopy of coupled double quantum wells. By probing the in-plane interfacial optical anisotropies, we demonstrate that PRA spectroscopy has the capacity to detect and distinguish layers with quantum dimensions. In order to account for the experimental PRA spectra, we have used a theoretical model at k=0 based on a linear electro-optic effect through a piezoelectric shear strain.Keywords: coupled double quantum well (CDQW), linear electro-optic (LEO) effect, photoreflectance anisotropy (PRA), piezoelectric shear strain
Procedia PDF Downloads 660