Search results for: quantum chemical calculation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 6190

Search results for: quantum chemical calculation

6070 Berry Phase and Quantum Skyrmions: A Loop Tour in Physics

Authors: Sinuhé Perea Puente

Abstract:

In several physics systems the whole can be obtained as an exact copy of each of its parts, which facilitates the study of a complex system by looking carefully at its elements, separately. Reducionism offers simplified models which makes the problems easier, but “there’s plenty of room...at the mesoscopic scale”. Here we present a tour for two of its representants: Berry phase and skyrmions, studying some of its basic definitions and properties, and two cases in which both arise together, to finish constraining the scale for our mesoscopic system in the quest of quantum skyrmions, discovering which properties are conserved and which others may be destroyed.

Keywords: condensed mattter, quantum physics, skyrmions, topological defects

Procedia PDF Downloads 141
6069 Characterization of InP Semiconductor Quantum Dot Laser Diode after Am-Be Neutron Irradiation

Authors: Abdulmalek Marwan Rajkhan, M. S. Al Ghamdi, Mohammed Damoum, Essam Banoqitah

Abstract:

This paper is about the Am-Be neutron source irradiation of the InP Quantum Dot Laser diode. A QD LD was irradiated for 24 hours and 48 hours. The laser underwent IV characterization experiments before and after the first and second irradiations. A computer simulation using GAMOS helped in analyzing the given results from IV curves. The results showed an improvement in the QD LD series resistance, current density, and overall ideality factor at all measured temperatures. This is explained by the activation of the QD LD Indium composition to Strontium, ionization of the compound QD LD materials, and the energy deposited to the QD LD.

Keywords: quantum dot laser diode irradiation, effect of radiation on QD LD, Am-Be irradiation effect on SC QD LD

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6068 A New Investigation Technique for Improvement of the Cullet for Pottery Glaze

Authors: Benchalak Muangmeesri

Abstract:

This research is experiment glaze from use cullet that is broken decayed from the used such as, glass bottle, windshield , etc. For seek raw material compensation that is raw material of the glaze in ceramic. The objective of the research for study the ratio of the glaze that is appropriate for glaze ceramic products and evaluate the experiment glaze on the vitreous china. The experiment has limits in using ceramic process such as, using calculation formula with triaxial, the empirical formula’s of Seger, and formula calculation is the percentage of the compound. for choose formula has will the possibility for glaze on vitreous china. The experiments in 108 triaxial can choose best formula and calculate is be left just 6 a formula for the calculation. The calculation is the percentage of the raw materials. Find that, three formulas in six formula there is percentage amount of the raw material that is cullet has the amount the little more 10 percentages then repeated experiment just three formulas. Overall, this research have three formulas for used its and we get all processes achieved and well done.

Keywords: cullet, glaze, pottery, ceramic

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6067 Evaluation of Chitin Filled Epoxy Coating for Corrosion Protection of Q235 Steel in Saline Environment

Authors: Innocent O. Arukalam, Emeka E. Oguzie

Abstract:

Interest in the development of eco-friendly anti-corrosion coatings using bio-based renewable materials is gaining momentum recently. To this effect, chitin biopolymer, which is non-toxic, biodegradable, and inherently possesses anti-microbial property, was successfully synthesized from snail shells and used as a filler in the preparation of epoxy coating. The chitin particles were characterized with contact angle goniometer, scanning electron microscope (SEM), Fourier transform infrared (FTIR) spectrophotometer, and X-ray diffractometer (XRD). The performance of the coatings was evaluated by immersion and electrochemical impedance spectroscopy (EIS) tests. Electronic structure properties of the coating ingredients and molecular level interaction of the corrodent and coated Q235 steel were appraised by quantum chemical computations (QCC) and molecular dynamics (MD) simulation techniques, respectively. The water contact angle (WCA) measurement of chitin particles was found to be 129.3o while that of chitin particles modified with amino trimethoxy silane (ATMS) was 149.6o, suggesting it is highly hydrophobic. Immersion and EIS analyses revealed that epoxy coating containing silane-modified chitin exhibited lowest water absorption and highest barrier as well as anti-corrosion performances. The QCC showed that quantum parameters for the coating containing silane-modified chitin are optimum and therefore corresponds to high corrosion protection. The high negative value of adsorption energies (Eads) for the coating containing silane-modified chitin indicates the coating molecules interacted and adsorbed strongly on the steel surface. The observed results have shown that silane-modified epoxy-chitin coating would perform satisfactorily for surface protection of metal structures in saline environment.

Keywords: chitin, EIS, epoxy coating, hydrophobic, molecular dynamics simulation, quantum chemical computation

Procedia PDF Downloads 95
6066 Steady State Charge Transport in Quantum Dots: Nonequilibrium Green's Function (NEGF) vs. Single Electron Analysis

Authors: Mahesh Koti

Abstract:

In this paper, we present a quantum transport study of a quantum dot in steady state in the presence of static gate potential. We consider a quantum dot coupled to the two metallic leads. The quantum dot under study is modeled through Anderson Impurity Model (AIM) with hopping parameter modulated through voltage drop between leads and the central dot region. Based on the Landauer's formula derived from Nonequilibrium Green's Function and Single Electron Theory, the essential ingredients of transport properties are revealed. We show that the results out of two approaches closely agree with each other. We demonstrate that Landauer current response derived from single electron approach converges with non-zero interaction through gate potential whereas Landauer current response derived from Nonequilibrium Green's Function (NEGF) hits a pole.

Keywords: Anderson impurity model (AIM), nonequilibrium Green's function (NEGF), Landauer's formula, single electron analysis

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6065 Selectivity Mechanism of Cobalt Precipitation by an Imidazole Linker From an Old Battery Solution

Authors: Anna-Caroline Lavergne-Bril, Jean-François Colin, David Peralta, Pascale Maldivi

Abstract:

Cobalt is a critical material, widely used in Li-ion batteries. Due to the planned electrification of European vehicles, cobalt needs are expending – and resources are limited. To meet the needs in cobalt to come, it is necessary to develop new efficient ways to recycle cobalt. One of the biggest sources comes from old electrical vehicles batteries (batteries sold in 2019: 500 000 tons of waste to be). A closed loop process of cobalt recycling has been developed and this presentation aims to present the selectivity mechanism of cobalt over manganese and nickel in solution. Cobalt precipitation as a ZIF material (Zeolitic Imidazolate framework) from a starting solution composed of equimolar nickel, manganese and cobalt is studied. A 2-MeIm (2-methylimidazole) linker is introduced in a multimetallic Ni, Mn, Co solution and the resulting ZIF-67 is 100% pure Co among its metallic centers. Selectivity of Co over Ni is experimentally studied and DFT modelisation calculation are conducted to understand the geometry of ligand-metal-solvent complexes in solution. Selectivity of Co over Mn is experimentally studied, and DFT modelisation calcucation are conducted to understand the link between pKa of the ligand and precipitration of Mn impurities within the final material. Those calculation open the way to other ligand being used in the same process, with more efficiency. Experimental material are synthetized from bimetallic (Ni²⁺/Co²⁺, Mn²⁺/Co²⁺, Mn²⁺/Ni²⁺) solutions. Their crystallographic structure is analysed by XRD diffraction (Brüker AXS D8 diffractometer, Cu anticathode). Morphology is studied by scanning electron microscopy, using a LEO 1530 FE-SEM microscope. The chemical analysis is performed by using ICP-OES (Agilent Technologies 700 series ICP-OES). Modelisation calculation are DFT calculation (density functional theory), using B3LYP, conducted with Orca 4.2.

Keywords: MOFs, ZIFs, recycling, closed-loop, cobalt, li-ion batteries

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6064 Study on Accurate Calculation Method of Model Attidude on Wind Tunnel Test

Authors: Jinjun Jiang, Lianzhong Chen, Rui Xu

Abstract:

The accurate of model attitude angel plays an important role on the aerodynamic test results in the wind tunnel test. The original method applies the spherical coordinate system transformation to obtain attitude angel calculation.The model attitude angel is obtained by coordinate transformation and spherical surface mapping applying the nominal attitude angel (the balance attitude angel in the wind tunnel coordinate system) indicated by the mechanism. First, the coordinate transformation of this method is not only complex but also difficult to establish the transformed relationship between the space coordinate systems especially after many steps of coordinate transformation, moreover it cannot realize the iterative calculation of the interference relationship between attitude angels; Second, during the calculate process to solve the problem the arc is approximately used to replace the straight line, the angel for the tangent value, and the inverse trigonometric function is applied. Therefore, in the calculation of attitude angel, the process is complex and inaccurate, which can be solved approximately when calculating small attack angel. However, with the advancing development of modern aerodynamic unsteady research, the aircraft tends to develop high or super large attack angel and unsteadyresearch field.According to engineering practice and vector theory, the concept of vector angel coordinate systemis proposed for the first time, and the vector angel coordinate system of attitude angel is established.With the iterative correction calculation and avoiding the problem of approximate and inverse trigonometric function solution, the model attitude calculation process is carried out in detail, which validates that the calculation accuracy and accuracy of model attitude angels are improved.Based on engineering and theoretical methods, a vector angel coordinate systemis established for the first time, which gives the transformation and angel definition relations between different flight attitude coordinate systems, that can accurately calculate the attitude angel of the corresponding coordinate systemand determine its direction, especially in the channel coupling calculation, the calculation of the attitude angel between the coordinate systems is only related to the angel, and has nothing to do with the change order s of the coordinate system, whichsimplifies the calculation process.

Keywords: attitude angel, angel vector coordinate system, iterative calculation, spherical coordinate system, wind tunnel test

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6063 An Intelligent Prediction Method for Annular Pressure Driven by Mechanism and Data

Authors: Zhaopeng Zhu, Xianzhi Song, Gensheng Li, Shuo Zhu, Shiming Duan, Xuezhe Yao

Abstract:

Accurate calculation of wellbore pressure is of great significance to prevent wellbore risk during drilling. The traditional mechanism model needs a lot of iterative solving procedures in the calculation process, which reduces the calculation efficiency and is difficult to meet the demand of dynamic control of wellbore pressure. In recent years, many scholars have introduced artificial intelligence algorithms into wellbore pressure calculation, which significantly improves the calculation efficiency and accuracy of wellbore pressure. However, due to the ‘black box’ property of intelligent algorithm, the existing intelligent calculation model of wellbore pressure is difficult to play a role outside the scope of training data and overreacts to data noise, often resulting in abnormal calculation results. In this study, the multi-phase flow mechanism is embedded into the objective function of the neural network model as a constraint condition, and an intelligent prediction model of wellbore pressure under the constraint condition is established based on more than 400,000 sets of pressure measurement while drilling (MPD) data. The constraint of the multi-phase flow mechanism makes the prediction results of the neural network model more consistent with the distribution law of wellbore pressure, which overcomes the black-box attribute of the neural network model to some extent. The main performance is that the accuracy of the independent test data set is further improved, and the abnormal calculation values basically disappear. This method is a prediction method driven by MPD data and multi-phase flow mechanism, and it is the main way to predict wellbore pressure accurately and efficiently in the future.

Keywords: multiphase flow mechanism, pressure while drilling data, wellbore pressure, mechanism constraints, combined drive

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6062 Procedure to Optimize the Performance of Chemical Laser Using the Genetic Algorithm Optimizations

Authors: Mohammedi Ferhate

Abstract:

This work presents details of the study of the entire flow inside the facility where the exothermic chemical reaction process in the chemical laser cavity is analyzed. In our paper we will describe the principles of chemical lasers where flow reversal is produced by chemical reactions. We explain the device for converting chemical potential energy laser energy. We see that the phenomenon thus has an explosive trend. Finally, the feasibility and effectiveness of the proposed method is demonstrated by computer simulation

Keywords: genetic, lasers, nozzle, programming

Procedia PDF Downloads 92
6061 Colored Image Classification Using Quantum Convolutional Neural Networks Approach

Authors: Farina Riaz, Shahab Abdulla, Srinjoy Ganguly, Hajime Suzuki, Ravinesh C. Deo, Susan Hopkins

Abstract:

Recently, quantum machine learning has received significant attention. For various types of data, including text and images, numerous quantum machine learning (QML) models have been created and are being tested. Images are exceedingly complex data components that demand more processing power. Despite being mature, classical machine learning still has difficulties with big data applications. Furthermore, quantum technology has revolutionized how machine learning is thought of, by employing quantum features to address optimization issues. Since quantum hardware is currently extremely noisy, it is not practicable to run machine learning algorithms on it without risking the production of inaccurate results. To discover the advantages of quantum versus classical approaches, this research has concentrated on colored image data. Deep learning classification models are currently being created on Quantum platforms, but they are still in a very early stage. Black and white benchmark image datasets like MNIST and Fashion MINIST have been used in recent research. MNIST and CIFAR-10 were compared for binary classification, but the comparison showed that MNIST performed more accurately than colored CIFAR-10. This research will evaluate the performance of the QML algorithm on the colored benchmark dataset CIFAR-10 to advance QML's real-time applicability. However, deep learning classification models have not been developed to compare colored images like Quantum Convolutional Neural Network (QCNN) to determine how much it is better to classical. Only a few models, such as quantum variational circuits, take colored images. The methodology adopted in this research is a hybrid approach by using penny lane as a simulator. To process the 10 classes of CIFAR-10, the image data has been translated into grey scale and the 28 × 28-pixel image containing 10,000 test and 50,000 training images were used. The objective of this work is to determine how much the quantum approach can outperform a classical approach for a comprehensive dataset of color images. After pre-processing 50,000 images from a classical computer, the QCNN model adopted a hybrid method and encoded the images into a quantum simulator for feature extraction using quantum gate rotations. The measurements were carried out on the classical computer after the rotations were applied. According to the results, we note that the QCNN approach is ~12% more effective than the traditional classical CNN approaches and it is possible that applying data augmentation may increase the accuracy. This study has demonstrated that quantum machine and deep learning models can be relatively superior to the classical machine learning approaches in terms of their processing speed and accuracy when used to perform classification on colored classes.

Keywords: CIFAR-10, quantum convolutional neural networks, quantum deep learning, quantum machine learning

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6060 Quantum Fisher Information of Bound Entangled W-Like States

Authors: Fatih Ozaydin

Abstract:

Quantum Fisher information (QFI) is a multipartite entanglement witness and recently it has been studied extensively with separability and entanglement in the focus. On the other hand, bound entanglement is a special phenomena observed in mixed entangled states. In this work, we study the QFI of W states under a four-dimensional entanglement binding channel. Starting with initally pure W states of several qubits, we find how the QFI decreases as two qubits of the W state is subject to entanglement binding. We also show that as the size of the W state increases, the effect of entanglement binding is decreased.

Keywords: Quantum Fisher information, W states, bound entanglement, entanglement binding

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6059 Structural and Optoelectronic Properties of Monovalent Cation Doping PbS Thin Films

Authors: Melissa Chavez Portillo, Hector Juarez Santiesteban, Mauricio Pacio Castillo, Oscar Portillo Moreno

Abstract:

Nanocrystalline Li-doped PbS thin films have been deposited by chemical bath deposition technique. The goal of this work is to study the modification of the optoelectronic and structural properties of Lithium incorporation. The increase of Li doping in PbS thin films leads to an increase of band gap in the range of 1.4-2.3, consequently, quantum size effect becomes pronounced in the Li-doped PbS films, which lead to a significant enhancement in the optical band gap. Doping shows influence in the film growth and results in a reduction of crystallite size from 30 to 14 nm. The refractive index was calculated and a relationship with dielectric constant was investigated. The dc conductivities of Li-doped and undoped samples were measured in the temperature range 290-340K, the conductivity increase with increase of Lithium content in the PbS films.

Keywords: doping, quantum confinement, optical band gap, PbS

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6058 Overview of a Quantum Model for Decision Support in a Sensor Network

Authors: Shahram Payandeh

Abstract:

This paper presents an overview of a model which can be used as a part of a decision support system when fusing information from multiple sensing environment. Data fusion has been widely studied in the past few decades and numerous frameworks have been proposed to facilitate decision making process under uncertainties. Multi-sensor data fusion technology plays an increasingly significant role during people tracking and activity recognition. This paper presents an overview of a quantum model as a part of a decision-making process in the context of multi-sensor data fusion. The paper presents basic definitions and relationships associating the decision-making process and quantum model formulation in the presence of uncertainties.

Keywords: quantum model, sensor space, sensor network, decision support

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6057 Quantum Mechanics as A Limiting Case of Relativistic Mechanics

Authors: Ahmad Almajid

Abstract:

The idea of unifying quantum mechanics with general relativity is still a dream for many researchers, as physics has only two paths, no more. Einstein's path, which is mainly based on particle mechanics, and the path of Paul Dirac and others, which is based on wave mechanics, the incompatibility of the two approaches is due to the radical difference in the initial assumptions and the mathematical nature of each approach. Logical thinking in modern physics leads us to two problems: - In quantum mechanics, despite its success, the problem of measurement and the problem of wave function interpretation is still obscure. - In special relativity, despite the success of the equivalence of rest-mass and energy, but at the speed of light, the fact that the energy becomes infinite is contrary to logic because the speed of light is not infinite, and the mass of the particle is not infinite too. These contradictions arise from the overlap of relativistic and quantum mechanics in the neighborhood of the speed of light, and in order to solve these problems, one must understand well how to move from relativistic mechanics to quantum mechanics, or rather, to unify them in a way different from Dirac's method, in order to go along with God or Nature, since, as Einstein said, "God doesn't play dice." From De Broglie's hypothesis about wave-particle duality, Léon Brillouin's definition of the new proper time was deduced, and thus the quantum Lorentz factor was obtained. Finally, using the Euler-Lagrange equation, we come up with new equations in quantum mechanics. In this paper, the two problems in modern physics mentioned above are solved; it can be said that this new approach to quantum mechanics will enable us to unify it with general relativity quite simply. If the experiments prove the validity of the results of this research, we will be able in the future to transport the matter at speed close to the speed of light. Finally, this research yielded three important results: 1- Lorentz quantum factor. 2- Planck energy is a limited case of Einstein energy. 3- Real quantum mechanics, in which new equations for quantum mechanics match and exceed Dirac's equations, these equations have been reached in a completely different way from Dirac's method. These equations show that quantum mechanics is a limited case of relativistic mechanics. At the Solvay Conference in 1927, the debate about quantum mechanics between Bohr, Einstein, and others reached its climax, while Bohr suggested that if particles are not observed, they are in a probabilistic state, then Einstein said his famous claim ("God does not play dice"). Thus, Einstein was right, especially when he didn't accept the principle of indeterminacy in quantum theory, although experiments support quantum mechanics. However, the results of our research indicate that God really does not play dice; when the electron disappears, it turns into amicable particles or an elastic medium, according to the above obvious equations. Likewise, Bohr was right also, when he indicated that there must be a science like quantum mechanics to monitor and study the motion of subatomic particles, but the picture in front of him was blurry and not clear, so he resorted to the probabilistic interpretation.

Keywords: lorentz quantum factor, new, planck’s energy as a limiting case of einstein’s energy, real quantum mechanics, new equations for quantum mechanics

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6056 Isolated Iterating Fractal Independently Corresponds with Light and Foundational Quantum Problems

Authors: Blair D. Macdonald

Abstract:

After nearly one hundred years of its origin, foundational quantum mechanics remains one of the greatest unexplained mysteries in physicists today. Within this time, chaos theory and its geometry, the fractal, has developed. In this paper, the propagation behaviour with an iteration of a simple fractal, the Koch Snowflake, was described and analysed. From an arbitrary observation point within the fractal set, the fractal propagates forward by oscillation—the focus of this study and retrospectively behind by exponential growth from a point beginning. It propagates a potentially infinite exponential oscillating sinusoidal wave of discrete triangle bits sharing many characteristics of light and quantum entities. The model's wave speed is potentially constant, offering insights into the perception and a direction of time where, to an observer, when travelling at the frontier of propagation, time may slow to a stop. In isolation, the fractal is a superposition of component bits where position and scale present a problem of location. In reality, this problem is experienced within fractal landscapes or fields where 'position' is only 'known' by the addition of information or markers. The quantum' measurement problem', 'uncertainty principle,' 'entanglement,' and the classical-quantum interface are addressed; these are a problem of scale invariance associated with isolated fractality. Dual forward and retrospective perspectives of the fractal model offer the opportunity for unification between quantum mechanics and cosmological mathematics, observations, and conjectures. Quantum and cosmological problems may be different aspects of the one fractal geometry.

Keywords: measurement problem, observer, entanglement, unification

Procedia PDF Downloads 89
6055 Nano-Sensors: Search for New Features

Authors: I. Filikhin, B. Vlahovic

Abstract:

We focus on a novel type of detection based on electron tunneling properties of double nanoscale structures in semiconductor materials. Semiconductor heterostructures as quantum wells (QWs), quantum dots (QDs), and quantum rings (QRs) may have energy level structure of several hundred of electron confinement states. The single electron spectra of the double quantum objects (DQW, DQD, and DQR) were studied in our previous works with relation to the electron localization and tunneling between the objects. The wave function of electron may be localized in one of the QDs or be delocalized when it is spread over the whole system. The localizing-delocalizing tunneling occurs when an electron transition between both states is possible. The tunneling properties of spectra differ strongly for “regular” and “chaotic” systems. We have shown that a small violation of the geometry drastically affects localization of electron. In particular, such violations lead to the elimination of the delocalized states of the system. The same symmetry violation effect happens if electrical or magnetic fields are applied. These phenomena could be used to propose a new type of detection based on the high sensitivity of charge transport between double nanostructures and small violations of the shapes. It may have significant technological implications.

Keywords: double quantum dots, single electron levels, tunneling, electron localizations

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6054 FPGA Implementation of the BB84 Protocol

Authors: Jaouadi Ikram, Machhout Mohsen

Abstract:

The development of a quantum key distribution (QKD) system on a field-programmable gate array (FPGA) platform is the subject of this paper. A quantum cryptographic protocol is designed based on the properties of quantum information and the characteristics of FPGAs. The proposed protocol performs key extraction, reconciliation, error correction, and privacy amplification tasks to generate a perfectly secret final key. We modeled the presence of the spy in our system with a strategy to reveal some of the exchanged information without being noticed. Using an FPGA card with a 100 MHz clock frequency, we have demonstrated the evolution of the error rate as well as the amounts of mutual information (between the two interlocutors and that of the spy) passing from one step to another in the key generation process.

Keywords: QKD, BB84, protocol, cryptography, FPGA, key, security, communication

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6053 Fabrication of ZnO Nanorods Based Biosensor via Hydrothermal Method

Authors: Muhammad Tariq, Jafar Khan Kasi, Samiullah, Ajab Khan Kasi

Abstract:

Biosensors are playing vital role in industrial, clinical, and chemical analysis applications. Among other techniques, ZnO based biosensor is an easy approach due to its exceptional chemical and electrical properties. ZnO nanorods have positively charged isoelectric point which helps immobilize the negative charge glucose oxides (GOx). Here, we report ZnO nanorods based biosensors for the immobilization of GOx. The ZnO nanorods were grown by hydrothermal method on indium tin oxide substrate (ITO). The fabrication of biosensors was carried through batch processing using conventional photolithography. The buffer solutions of GOx were prepared in phosphate with a pH value of around 7.3. The biosensors effectively immobilized the GOx and result was analyzed by calculation of voltage and current on nanostructures.

Keywords: hydrothermal growth, sol-gel, zinc dioxide, biosensors

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6052 Microwave Single Photon Source Using Landau-Zener Transitions

Authors: Siddhi Khaire, Samarth Hawaldar, Baladitya Suri

Abstract:

As efforts towards quantum communication advance, the need for single photon sources becomes imminent. Due to the extremely low energy of a single microwave photon, efforts to build single photon sources and detectors in the microwave range are relatively recent. We plan to use a Cooper Pair Box (CPB) that has a ‘sweet-spot’ where the two energy levels have minimal separation. Moreover, these qubits have fairly large anharmonicity making them close to ideal two-level systems. If the external gate voltage of these qubits is varied rapidly while passing through the sweet-spot, due to Landau-Zener effect, the qubit can be excited almost deterministically. The rapid change of the gate control voltage through the sweet spot induces a non-adiabatic population transfer from the ground to the excited state. The qubit eventually decays into the emission line emitting a single photon. The advantage of this setup is that the qubit can be excited without any coherent microwave excitation, thereby effectively increasing the usable source efficiency due to the absence of control pulse microwave photons. Since the probability of a Landau-Zener transition can be made almost close to unity by the appropriate design of parameters, this source behaves as an on-demand source of single microwave photons. The large anharmonicity of the CPB also ensures that only one excited state is involved in the transition and multiple photon output is highly improbable. Such a system has so far not been implemented and would find many applications in the areas of quantum optics, quantum computation as well as quantum communication.

Keywords: quantum computing, quantum communication, quantum optics, superconducting qubits, flux qubit, charge qubit, microwave single photon source, quantum information processing

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6051 Size Distribution Effect of InAs/InP Self–Organized Quantum Dots on Optical Properties

Authors: Abdelkader Nouri, M’hamed Bouslama, Faouzi Saidi, Hassan Maaref, Michel Gendry

Abstract:

Self-organized InAs quantum dots (QDs) have been grown on 3,1% InP (110) lattice mismatched substrate by Solid Source Molecular Beam Epitaxy (SSMBE). Stranski-Krastanov mode growth has been used to create self-assembled 3D islands on InAs wetting layer (WL). The optical quality depending on the temperature and power is evaluated. In addition, Atomic Force Microscopy (AFM) images shows inhomogeneous island dots size distribution due to temperature coalescence. The quantum size effect was clearly observed through the spectra photoluminescence (PL) shape.

Keywords: AFM, InAs QDs, PL, SSMBE

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6050 Magnetic Field Effects on Parabolic Graphene Quantum Dots with Topological Defects

Authors: Defne Akay, Bekir S. Kandemir

Abstract:

In this paper, we investigate the low-lying energy levels of the two-dimensional parabolic graphene quantum dots (GQDs) in the presence of topological defects with long range Coulomb impurity and subjected to an external uniform magnetic field. The low-lying energy levels of the system are obtained within the framework of the perturbation theory. We theoretically demonstrate that a valley splitting can be controlled by geometrical parameters of the graphene quantum dots and/or by tuning a uniform magnetic field, as well as topological defects. It is found that, for parabolic graphene dots, the valley splitting occurs due to the introduction of spatial confinement. The corresponding splitting is enhanced by the introduction of a uniform magnetic field and it increases by increasing the angle of the cone in subcritical regime.

Keywords: coulomb impurity, graphene cones, graphene quantum dots, topological defects

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6049 Characterization of InGaAsP/InP Quantum Well Lasers

Authors: K. Melouk, M. Dellakrachaï

Abstract:

Analytical formula for the optical gain based on a simple parabolic-band by introducing theoretical expressions for the quantized energy is presented. The model used in this treatment take into account the effects of intraband relaxation. It is shown, as a result, that the gain for the TE mode is larger than that for TM mode and the presence of acceptor impurity increase the peak gain.

Keywords: InGaAsP, laser, quantum well, semiconductor

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6048 Digital Material Characterization Using the Quantum Fourier Transform

Authors: Felix Givois, Nicolas R. Gauger, Matthias Kabel

Abstract:

The efficient digital material characterization is of great interest to many fields of application. It consists of the following three steps. First, a 3D reconstruction of 2D scans must be performed. Then, the resulting gray-value image of the material sample is enhanced by image processing methods. Finally, partial differential equations (PDE) are solved on the segmented image, and by averaging the resulting solutions fields, effective properties like stiffness or conductivity can be computed. Due to the high resolution of current CT images, the latter is typically performed with matrix-free solvers. Among them, a solver that uses the explicit formula of the Green-Eshelby operator in Fourier space has been proposed by Moulinec and Suquet. Its algorithmic, most complex part is the Fast Fourier Transformation (FFT). In our talk, we will discuss the potential quantum advantage that can be obtained by replacing the FFT with the Quantum Fourier Transformation (QFT). We will especially show that the data transfer for noisy intermediate-scale quantum (NISQ) devices can be improved by using appropriate boundary conditions for the PDE, which also allows using semi-classical versions of the QFT. In the end, we will compare the results of the QFT-based algorithm for simple geometries with the results of the FFT-based homogenization method.

Keywords: most likelihood amplitude estimation (MLQAE), numerical homogenization, quantum Fourier transformation (QFT), NISQ devises

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6047 Design of Organic Inhibitors from Quantum Chemistry

Authors: Rahma Tibigui, Ikram Hadj Said, Rachid Belkada, Dalila Hammoutene

Abstract:

The vulnerability of industrial facilities is highly concerned with multiple risks from corrosion. The commonly adopted solution is based on the use of organic inhibitors, which are gradually being replaced by environmentally friendly organic inhibitors. In our work, we carried out a quantum chemical study based on the Density Functional Theory (DFT) method at the B3LYP/6-311G (d,p) level of theory. The inhibitory performance of a derivative of the tetrazole molecule has been investigated and reported as a carbon steel-friendly corrosion inhibitor in hydrochloric acid (HCl) medium. The relationship is likely to exist between the molecular structure of this compound as well as its various global reactivity descriptors, and its corrosion inhibition efficiency, which was examined and then discussed. The results show low values of ΔE, which represent strong adsorption of the inhibitor on the steel surface. Moreover, the flat adsorption orientation confirmed the great ability to donate (accept) electrons to (from) steel, fabricating an anchored barrier to prevent steel from corrosion.

Keywords: eco-friendly, corrosion inhibitors, tetrazole, DFT

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6046 Gravitational Frequency Shifts for Photons and Particles

Authors: Jing-Gang Xie

Abstract:

The research, in this case, considers the integration of the Quantum Field Theory and the General Relativity Theory. As two successful models in explaining behaviors of particles, they are incompatible since they work at different masses and scales of energy, with the evidence that regards the description of black holes and universe formation. It is so considering previous efforts in merging the two theories, including the likes of the String Theory, Quantum Gravity models, and others. In a bid to prove an actionable experiment, the paper’s approach starts with the derivations of the existing theories at present. It goes on to test the derivations by applying the same initial assumptions, coupled with several deviations. The resulting equations get similar results to those of classical Newton model, quantum mechanics, and general relativity as long as conditions are normal. However, outcomes are different when conditions are extreme, specifically with no breakdowns even for less than Schwarzschild radius, or at Planck length cases. Even so, it proves the possibilities of integrating the two theories.

Keywords: general relativity theory, particles, photons, Quantum Gravity Model, gravitational frequency shift

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6045 Research on the Calculation Method of Smartization Rate of Concrete Structure Building Construction

Authors: Hongyu Ye, Hong Zhang, Minjie Sun, Hongfang Xu

Abstract:

In the context of China's promotion of smart construction and building industrialization, there is a need for evaluation standards for the development of building industrialization based on assembly-type construction. However, the evaluation of smart construction remains a challenge in the industry's development process. This paper addresses this issue by proposing a calculation and evaluation method for the smartization rate of concrete structure building construction. The study focuses on examining the factors of smart equipment application and their impact on costs throughout the process of smart construction design, production, transfer, and construction. Based on this analysis, the paper presents an evaluation method for the smartization rate based on components. Furthermore, it introduces calculation methods for assessing the smartization rate of buildings. The paper also suggests a rapid calculation method for determining the smartization rate using Building Information Modeling (BIM) and information expression technology. The proposed research provides a foundation for the swift calculation of the smartization rate based on BIM and information technology. Ultimately, it aims to promote the development of smart construction and the construction of high-quality buildings in China.

Keywords: building industrialization, high quality building, smart construction, smartization rate, component

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6044 Agegraphic Dark Energy with GUP

Authors: H. R. Fazlollahi

Abstract:

Dark Energy origin is unknown and so describing this mysterious component in large scale structure needs to manipulate our theories in general relativity. Although in most models, dark energy arises from extra terms through modifying Einstein-Hilbert action, maybe its origin traces back to fundamental aspects of ground energy of space-time given in quantum mechanics. Hence, diluting space-time in general relativity with quantum mechanics properties leads to the Karolyhazy relation corresponding energy density of quantum fluctuations of space-time. Through generalized uncertainty principle and an eye to Karolyhazy approach in this study we extend energy density of quantum fluctuations of space-time. Also, the application of this idea is considered in late time evolution and we have shown how extra term in generalized uncertainty principle plays as a plausible interaction term role in suggested model.

Keywords: generalized uncertainty principle, karolyhazy approach, agegraphic dark energy, cosmology

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6043 Polyethylenimine-Ethoxylated Dual Interfacial Layers for High-Efficient Quantum Dot Light-Emitting Diodes

Authors: Woosuk Lee

Abstract:

We controlled the electron injection rate in inverted quantum dot light-emitting diode (QLED) by inserting PEIE layer between ZnO electron transport layer(ETL) and quantum dots(QDs) layer and successfully demonstrated high efficiency of QLEDs. The inverted QLED has the layer structure of ITO(cathode)/ ZnO NPs/PEIE/QDs/PEIE/P-TPD/MoO3/Al(anode). The PEIE between poly-TPD hole transport layer (HTL) and quantum dot emitting layer protects QD EML during HTL coating process and improves the surface morphology. In addition, the hole injection barrier is reduced by upshifting the valence band maximum (VBM) of QDs. An additional layer of PEIE was introduced between ZnO and QD to balance charge within QD emissive layer in device, which serves as an effective electron blocking layer without changing device operating condition such as turn-on voltage and emissive spectra. As a result, the optimized QLED with 5nm PEIE shows a ~36% improved current efficiency and external quantum efficiency (EQE) compared to the QLED without PEIE.(maximum current efficiency, and EQE are achieved 70cd/A and 17.3%, respectively). In particular, the maximum brightness of the optimized QLED dramatically improved by a factor of 2.3 relative to the QLED without PEIE. The main reasons for these QLED performance improvement are due to the suppressing the leakage current across the device and well confined exciton by inserting PEIE layers.

Keywords: quantum dot light-emitting diodes, interfacial layer, charge-injection balance, suppressing QD charging

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6042 Integrating Carbon Footprint into Supply Chain Management of Manufacturing Companies: Sri Lanka

Authors: Shirekha Layangani, Suneth Dharmaparakrama

Abstract:

When the manufacturing industry is concerned the Environment Management System (EMS) is a common term. Currently most organizations have obtained the environmental standard certification, ISO 14001. In the Sri Lankan context even though the organizations adopt Environmental Management, a very limited number of companies tend to calculate their Carbon Footprints. This research discusses the demotivating factors of manufacturing organizations in Sri Lanka to integrate calculation of carbon footprint into their supply chains. Further it also identifies the benefits that manufacturing organizations can gain by implementing calculation of carbon footprint. The manufacturing companies listed under “ISO 14001” certification were considered in this study in order to investigate the problems mentioned above. 100% enumeration was used when the surveys were carried out. In order to gather essential data two surveys were designed to be done among manufacturing organizations that are currently engaged in calculating their carbon footprint and the organizations that have not. The survey among the first set of manufacturing organizations revealed the benefits the organizations were able to gain by implementing calculation of carbon footprint. The latter set organizations revealed the demotivating factors that have influenced not to integrate calculation of carbon footprint into their supply chains. This paper has summarized the results obtained by the surveys and segregated depending on the market share of the manufacturing organizations. Further it has indicated the benefits that can be obtained by implementing carbon footprint calculation, depending on the market share of the manufacturing entity. Finally the research gives suggestions to manufacturing organizations on applicability of adopting carbon footprint calculation depending on the benefits that can be obtained.

Keywords: carbon footprint, environmental management systems (EMS), benefits of carbon footprint, ISO14001

Procedia PDF Downloads 372
6041 Signs-Only Compressed Row Storage Format for Exact Diagonalization Study of Quantum Fermionic Models

Authors: Michael Danilov, Sergei Iskakov, Vladimir Mazurenko

Abstract:

The present paper describes a high-performance parallel realization of an exact diagonalization solver for quantum-electron models in a shared memory computing system. The proposed algorithm contains a storage format for efficient computing eigenvalues and eigenvectors of a quantum electron Hamiltonian matrix. The results of the test calculations carried out for 15 sites Hubbard model demonstrate reduction in the required memory and good multiprocessor scalability, while maintaining performance of the same order as compressed row storage.

Keywords: sparse matrix, compressed format, Hubbard model, Anderson model

Procedia PDF Downloads 400