Search results for: quantum transport properties

Authors: Desmond Agbolade Ademola

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This work aimed to introduce a theory, called Guided Energy Theory of a particle that answered questions that arise from quantum foundation, quantum mechanics theory, and interpretation such as: what is nature of wavefunction? Is mathematical formalism of wavefunction correct? Does wavefunction collapse during measurement? Do quantum physical entanglement and many world interpretations really exist? In addition, is there uncertainty in the physical reality of our nature as being concluded in the Quantum theory? We have been able to show by the fundamental analysis presented in this work that the way quantum mechanics theory, and interpretation describes nature is not correlated with physical reality. Because, we discovered amongst others that, (1) Guided energy theory of a particle fundamentally provides complete physical observable series of quantized measurement of a particle momentum, force, energy e.t.c. in a given distance and time.In contrast, quantum mechanics wavefunction describes that nature has inherited probabilistic and indeterministic physical quantities, resulting in unobservable physical quantities that lead to many worldinterpretation.(2) Guided energy theory of a particle fundamentally predicts that it is mathematically possible to determine precise quantized measurementof position and momentum of a particle simultaneously. Because, there is no uncertainty in nature; nature however naturally guides itself against uncertainty. Contrary to the conclusion in quantum mechanics theory that, it is mathematically impossible to determine the position and the momentum of a particle simultaneously. Furthermore, we have been able to show by this theory that, it is mathematically possible to determine quantized measurement of force acting on a particle simultaneously, which is not possible on the premise of quantum mechanics theory. (3) It is evidently shown by our theory that, guided energy does not collapse, only describes the lopsided nature of a particle behavior in motion. This pretty offers us insight on gradual process of engagement - convergence and disengagement – divergence of guided energy holders which further highlight the picture how wave – like behavior return to particle-like behavior and how particle – like behavior return to wave – like behavior respectively. This further proves that the particles’ behavior in motion is oscillatory in nature. The mathematical formalism of Guided energy theory shows that nature is certainty whereas the mathematical formalism of Quantum mechanics theory shows that nature is absolutely probabilistics. In addition, the nature of wavefunction is the guided energy of the wave. In conclusion, the fundamental mathematical formalism of Quantum mechanics theory is wrong.

Keywords: momentum, physical entanglement, wavefunction, uncertainty

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Authors: M. Lu

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The paper presents part of the results of EU-funded projects: SoCool@EU (Sustainable Organisation between Clusters Of Optimized Logistics @ Europe), DG-RTD (Research and Innovation), Regions of Knowledge Programme (FP7-REGIONS-2011-1). It will provide an in-depth review of emerging technologies for further improving urban mobility and freight transport systems, such as (information and physical) infrastructure, ICT-based Intelligent Transport Systems (ITS), vehicles, advanced logistics, and services. Furthermore, the paper will provide an analysis of the barriers and will review business models for the market uptake of innovations. From a perspective of science and technology, the challenges of urbanization could be mainly handled through adequate (human-oriented) solutions for urban planning, sustainable energy, the water system, building design and construction, the urban transport system (both physical and information aspects), and advanced logistics and services. Implementation of solutions for these domains should be follow a highly integrated and balanced approach, a silo approach should be avoided. To develop a sustainable urban transport system (for people and goods), including inter-hubs and intra-hubs, a holistic view is needed. To achieve a sustainable transport system for people and goods (in terms of cost-effectiveness, efficiency, environment-friendliness and fulfillment of the mobility, transport and logistics needs of the society), a proper network and information infrastructure, advanced transport systems and operations, as well as ad hoc and seamless services are required. In addition, a road map for an enhanced urban transport system until 2050 will be presented. This road map aims to address the challenges of urban transport, and to provide best practices in inter-city and intra-city environments from various perspectives, including policy, traveler behaviour, economy, liability, business models, and technology.

Keywords: synchromodality, multimodal transport, logistics, Intelligent Transport Systems (ITS)

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Authors: Montree Bunruanses, Preecha Yupapin

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In this work, the quantum material called Amrita (elixir) is made from top-down gold into nanometer particles by fusing 99% gold with a laser and mixing it with drinking water using the atmospheric water (AWG) production system, which is made of water with air. The high energy laser power destroyed the four natural force bindings from gravity-weak-electromagnetic and strong coupling forces, where finally it was the purified Bose-Einstein condensate (BEC) states. With this method, gold atoms in the form of spherical single crystals with a diameter of 30-50 nanometers are obtained and used. They were modulated (activated) with a frequency generator into various matrix structures mixed with AWG water to be used in the upstream conversion (quantum reversible) process, which can be applied on humans both internally or externally by drinking or applying on the treated surfaces. Doing both space (body) and time (mind) will go back to the origin and start again from the coupling of space-time on both sides of time at fusion (strong coupling force) and push out (Big Bang) at the equilibrium point (singularity) occurs as strings and DNA with neutrinos as coupling energy. There is no distortion (purification), which is the point where time and space have not yet been determined, and there is infinite energy. Therefore, the upstream conversion is performed. It is reforming DNA to make it be purified. The use of Amrita is a method used for people who cannot meditate (quantum meditation). Various cases were applied, where the results show that the Amrita can make the body and the mind return to their pure origins and begin the downstream process with the Big Bang movement, quantum communication in all dimensions, DNA reformation, frequency filtering, crystal body forming, broadband quantum communication networks, black hole forming, quantum consciousness, body and mind healing, etc.

Keywords: quantum materials, quantum meditation, quantum reversible, Bose-Einstein condensate

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Authors: Fang Liu, JunShuai Xue, JiaJia Yao, XueYan Yang, ZuMao Li, GuanLin Wu, HePeng Zhang, ZhiPeng Sun

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III-Nitride resonant tunneling diode (RTD) is one of the most promising candidates for multiple-valued logic (MVL) elements. Here, we report a monolithic integration of GaN resonant tunneling diodes to realize multiple negative differential resistance (NDR) regions for MVL application. GaN RTDs, composed of a 2 nm quantum well embedded in two 1 nm quantum barriers, are grown by plasma-assisted molecular beam epitaxy on free-standing c-plane GaN substrates. Negative differential resistance characteristic with a peak current density of 178 kA/cm² in conjunction with a peak-to-valley current ratio (PVCR) of 2.07 is observed. Statistical properties exhibit high consistency showing a peak current density standard deviation of almost 1%, laying the foundation for the monolithic integration. After complete electrical isolation, two diodes of the designed same area are connected in series. By solving the Poisson equation and Schrodinger equation in one dimension, the energy band structure is calculated to explain the transport mechanism of the differential negative resistance phenomenon. Resonant tunneling events in a sequence of the series-connected RTD pair (SCRTD) form multiple NDR regions with nearly equal peak current, obtaining three stable operating states corresponding to ternary logic. A frequency multiplier circuit achieved using this integration is demonstrated, attesting to the robustness of this multiple peaks feature. This article presents a monolithic integration of SCRTD with multiple NDR regions driven by the resonant tunneling mechanism, which can be applied to a multiple-valued logic field, promising a fast operation speed and a great reduction of circuit complexity and demonstrating a new solution for nitride devices to break through the limitations of binary logic.

Keywords: GaN resonant tunneling diode, multiple-valued logic system, frequency multiplier, negative differential resistance, peak-to-valley current ratio

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Authors: Pradip Kumar Jha, Manoj Kumar

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We demonstrate in this work the effect of Rashba spin orbit interaction on multiphoton optical transitions of a quantum dot in the presence of THz laser field and external static magnetic field. This combination is solved by accurate non-perturbative Floquet theory. Investigations are made for the optical response of intraband transition between the various states of the conduction band with spin flipping. Enhancement and power broadening observed for excited states probabilities with increase of external fields are directly linked to the emission spectra of QD and will be useful for making future bioimaging devices.

Keywords: bioimaging, multiphoton processes, spin orbit interaction, quantum dot

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Authors: Xiaoyu Li, Wenchuan Ding, Yujia Yia

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As the nanoscale zinc oxide particles (nano-ZnO) accumulate in the landfill, nano-ZnO will enter the landfill leachate and come into contact with the heavy metal ions in leachate, which will change their transport process in the landfill and, furthermore, affect each other's environmental fate and toxicity. In this study, we explored the transport of co-existing nano-ZnO, Cu(II) and Cr(VI) ions by column experiments under different stages of landfill leachate conditions (flow rate, pH, ionic strength, humic acid). The results show that Cu(II) inhibits the transport of nano-ZnO in the quartz sand column by increasing the surface potential of nano-ZnO, and nano-ZnO increases the retention of Cu(II) in the quartz sand column by adsorbing Cu(II) ions. Cr(VI) promotes the transport of nano-ZnO in the quartz sand column by neutralizing the surface potential of the nano-ZnO which reduces electrostatic attraction between nZnO and quartz sand, but the nano-ZnO has no effect on the transport of Cr(VI). The nature of landfill leachates such as flow rate, pH, ionic strength (IS) and humic acid (HA) has a certain effect on the transport of coexisting nano-ZnO and heavy metal ions. For leachate containing Cu(II) and Cr(VI) ions, at the initial stage of landfilling, the pH of leachate is acidic, ionic strength value is high, the humic acid concentration is low, and the transportability of nano-ZnO is weak. As the landfill age increased, the pH value in the leachate gradually increases, when the ions are raised to alkaline, these ions are trending to precipitated or adsorbed to the solid wastes in landfill, which resulting in low IS value of leachate. At the same time, more refractory organic matter gradually increases such as HA, which provides repulsive steric effects, so the nano-ZnO is more likely to migrate. Overall, the Cr(VI) can promote the transport of nano-ZnO more than Cu(II).

Keywords: heavy metal ions, landfill leachate, nano-ZnO, transport

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Authors: K. Alafogiannis, E. E. Houssos, E. Anagnostou, G. Kouvarakis, N. Mihalopoulos, A. Fotiadi

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The Mediterranean basin is an area where different aerosol types coexist, including urban/industrial, desert dust, biomass burning and marine particles. Particularly, mineral dust aerosols, mostly originated from North African deserts, significantly contribute to high aerosol loads above the Mediterranean. Dust transport, controlled by the variation of the atmospheric circulation throughout the year, results in a strong spatial and temporal variability of aerosol properties. In this study, the synoptic conditions which favor dust transport over the Eastern Mediterranean are thoroughly investigated. For this reason, three datasets are employed. Firstly, ground-based daily data of aerosol properties, namely Aerosol Optical Thickness (AOT), Ångström exponent (α440-870) and fine fraction from the FORTH-AERONET (Aerosol Robotic Network) station along with measurements of PM10 concentrations from Finokalia station, for the period 2003-2011, are used to identify days with high coarse aerosol load (episodes) over Crete. Then, geopotential height at 1000, 850 and 700 hPa levels obtained from the NCEP/NCAR Reanalysis Project, are utilized to depict the atmospheric circulation during the identified episodes. Additionally, air-mass back trajectories, calculated by HYSPLIT, are used to verify the origin of aerosols from neighbouring deserts. For the 227 identified dust episodes, the statistical methods of Factor and Cluster Analysis are applied on the corresponding atmospheric circulation data to reveal the main types of the synoptic conditions favouring dust transport towards Crete (Eastern Mediterranean). The 227 cases are classified into 11 distinct types (clusters). Dust episodes in Eastern Mediterranean, are found to be more frequent (52%) in spring with a secondary maximum in autumn. The main characteristic of the atmospheric circulation associated with dust episodes, is the presence of a low-pressure system at surface, either in southwestern Europe or western/central Mediterranean, which induces a southerly air flow favouring dust transport from African deserts. The exact position and the intensity of the low-pressure system vary notably among clusters. More rarely dust may originate from deserts of Arabian Peninsula.

Keywords: aerosols, atmospheric circulation, dust particles, Eastern Mediterranean

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Authors: Jingjing Huang, Nengwei Li, Guanghua Wei, Jiabin You, Chao Wang, Junliang Zhang

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In this work, molecular dynamics (MD) simulation is applied to analyze the mass transport process in the cathode of proton exchange membrane fuel cell (PEMFC), of which all types of molecules situated in the cathode is considered. a reasonable and effective MD simulation process is provided, and models were built and compared using both Materials Studio and LAMMPS. The mass transport is one of the key issues in the study of proton exchange membrane fuel cells (PEMFCs). In this report, molecular dynamics (MD) simulation is applied to analyze the influence of Nafion ionomer distribution and Pt nano-particle size on mass transport process in the cathode. It is indicated by the diffusion coefficients calculation that a larger quantity of Nafion, as well as a higher equivalent weight (EW) value, will hinder the transport of oxygen. In addition, medium-sized Pt nano-particles (1.5~2nm) are more advantageous in terms of proton transport compared with other particle sizes (0.94~2.55nm) when the center-to-center distance between two Pt nano-particles is around 5 nm. Then mass transport channels are found to be formed between the hydrophobic backbone and the hydrophilic side chains of Nafion ionomer according to the radial distribution function (RDF) curves. And the morphology of these channels affected by the Pt size is believed to influence the transport of hydronium ions and, consequently the performance of PEMFC.

Keywords: cathode catalytic layer, mass transport, molecular dynamics, proton exchange membrane fuel cell

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Authors: Raheb Mirzanamadi, João Patrício

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Asphalt rubber (AR) was initially developed in Sweden in the 1960s by replacing crumb rubber (CR) as aggregates in asphalt pavement. The AR produced by this method had better mechanical properties than conventional asphalt pavement but was very expensive. Since then, different technologies and methods have been developed to use CR in asphalt pavements, including blending CR with bitumen at a high temperature in the mixture, called the wet method, and blending CR with bitumen in the refinery, called the terminal blending method. In 2006, the wet method was imported from the USA to Sweden to evaluate the potential of using AR on Swedish roads. 154 km AR roads were constructed by the wet method in Sweden. The evaluation showed that the AR had, in most cases, better mechanical performance than conventional asphalt pavements. However, the terrible smoke and smell led the Swedish Transport Administration (STA) to stop using AR in Sweden. Today, there are few focuses on AR, despite its good mechanical properties and environmental aspects. Hence, there is a need to study the drives and barriers of using AR mixture in Sweden. The aims of this paper are: (i) to study drivers and barriers of using AR pavements in Sweden and (ii) to discover knowledge gaps for further research in this area. The study was done using a literature review and completed by interviews with experts, including three researchers from Swedish National Road and Transport Research Institute (VTI) and two experts from STA. The results showed that AR can be an alternative not only for conventional asphalt pavement but also for polymer modified asphalt (PMA) due to the same mechanical properties but the lower cost for production. New technologies such as terminal blending and using warm mix asphalt (WMA) methods can lead to reducing the energy and temperature during production processes. From this study, it is found that there is not enough experience and knowledge about AR in Sweden, and more research is needed, including the lifespan of AR, mechanical properties of AR using new technologies, and the impact of AR on spreading and leaching substances into nature. More studies can lead to standardization of using AR in Sweden, a potential solution for the use of end-of-life tyres, with better mechanical properties and lower costs, in comparison with conventional asphalt pavements and PMA.

Keywords: asphalt rubber, crumb rubber, terminal blending method, wet method

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Authors: Ilkay Ozsev Yuksek, Nuray Ucar, Zeynep Esma Soygur, Yasemin Kucuk

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In this study, composite fabrics with polyacrylonitrile electrospun nanofiber deposited onto quilted polyester fabric have been produced in order to control the isolation properties such as water vapor permeability, air permeability and thermal conductivity. Different nanofiber webs were manufactured by changing polymer concentration from 10% to 16% and by changing the deposition time from 1 to 3 hours. Presence of nanofiber layer on the quilted fabric results to an increase of an isolation, i.e., a decrease of the moisture vapor transport rates at 20%, decrease of thermal conductivity at 15% and a decrease of air permeability values at 50%.

Keywords: nanofiber/fabric composites, electrospinning, isolation, thermal conductivity, moisture vapor transport, air permeability

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Authors: N. Massoum, B. Bouazza

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In this paper, we have developed a numerical simulation model to describe the electrical properties of GaInP MESFET with submicron gate (Lg = 0.5 µm). This model takes into account the three-dimensional (3D) distribution of the load in the short channel and the law effect of mobility as a function of electric field. Simulation software based on a stochastic method such as Monte Carlo has been established. The results are discussed and compared with those of the experiment. The result suggests experimentally that, in a very small gate length in our devices (smaller than 40 nm), short-channel tunneling explains the degradation of transistor performance, which was previously enhanced by velocity overshoot.

Keywords: Monte Carlo simulation, transient electron transport, MESFET device, simulation software

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Authors: Vani Chintapally

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The expansion of modest and minimized Global Positioning System (GPS) beneficiaries has prompted most Automatic Vehicle Location (AVL) frameworks today depending solely on satellite-based finding frameworks, as GPS is the most stable usage of these. This paper shows the attributes of a proposed framework for following and dissecting open transport in a run of the mill medium-sized city and complexities the qualities of such a framework to those of broadly useful AVL frameworks. Particular properties of the courses broke down by the AVL framework utilized for the examination of open transport in our study incorporate cyclic vehicle courses, the requirement for particular execution reports, and so forth. This paper particularly manages vehicle movement forecasts and the estimation of station landing time, combined with consequently produced reports on timetable conformance and other execution measures. Another side of the watched issue is proficient exchange of information from the vehicles to the control focus. The pervasiveness of GSM bundle information exchange advancements combined with decreased information exchange expenses have brought on today's AVL frameworks to depend predominantly on parcel information exchange administrations from portable administrators as the correspondences channel in the middle of vehicles and the control focus. This methodology brings numerous security issues up in this conceivably touchy application field.

Keywords: automatic vehicle location (AVL), expectation of landing times, AVL security, data administrations, wise transport frameworks (ITS), guide coordinating

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Authors: Nikolai N. Bogolubov, Andrey V. Soldatov

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Terahertz radiation occupies a range of frequencies somewhere from 100 GHz to approximately 10 THz, just between microwaves and infrared waves. This range of frequencies holds promise for many useful applications in experimental applied physics and technology. At the same time, reliable, simple techniques for generation, amplification, and modulation of electromagnetic radiation in this range are far from been developed enough to meet the requirements of its practical usage, especially in comparison to the level of technological abilities already achieved for other domains of the electromagnetic spectrum. This situation of relative underdevelopment of this potentially very important range of electromagnetic spectrum is known under the name of the 'terahertz gap.' Among other things, technological progress in the terahertz area has been impeded by the lack of compact, low energy consumption, easily controlled and continuously radiating terahertz radiation sources. Therefore, development of new techniques serving this purpose as well as various devices based on them is of obvious necessity. No doubt, it would be highly advantageous to employ the simplest of suitable physical systems as major critical components in these techniques and devices. The purpose of the present research was to show by means of conventional methods of non-equilibrium statistical mechanics and the theory of open quantum systems, that a thoroughly studied two-level quantum system, also known as an one-electron two-level 'atom', being driven by external classical monochromatic high-frequency (e.g. laser) field, can radiate continuously at much lower (e.g. terahertz) frequency in the fluorescent regime if the transition dipole moment operator of this 'atom' possesses permanent non-equal diagonal matrix elements. This assumption contradicts conventional assumption routinely made in quantum optics that only the non-diagonal matrix elements persist. The conventional assumption is pertinent to natural atoms and molecules and stems from the property of spatial inversion symmetry of their eigenstates. At the same time, such an assumption is justified no more in regard to artificially manufactured quantum systems of reduced dimensionality, such as, for example, quantum dots, which are often nicknamed 'artificial atoms' due to striking similarity of their optical properties to those ones of the real atoms. Possible ways to experimental observation and practical implementation of the predicted effect are discussed too.

Keywords: terahertz gap, two-level atom, resonant fluorescence, quantum dot, resonant fluorescence, two-level atom

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Authors: Seyedeh Mozhgan Seyed-Talebi, Weng-Kent Chan, Hsin-Yi Tiffany Chen

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Lead-free perovskite photovoltaic (PV) technology employing non-toxic tin halide perovskite absorbers is pivotal for advancing perovskite solar cell (PSC) commercialization. Despite challenges posed by perovskite sensitivity to oxygen and humidity, our study utilizes DFT calculations using VASP and NanoDCAL software and SCAPS-1D simulations to elucidate the charge transport mechanism at the interface of CsSnI₃-FASnI₃ heterojunction. Results reveal how inherent electric fields facilitate efficient carrier transport, reducing recombination losses. We predict optimized power conversion efficiencies (PCEs) and highlight the potential of CsSnI3-FASnI3 heterojunctions for cost-effective and efficient charge transport layer-free (CTLF) photovoltaic devices. Our study provides insights into the future direction of recognizing more efficient, nontoxic heterojunction perovskite devices.

Keywords: charge transport layer free, CsSnI₃-FASnI₃ heterojunction, lead-free perovskite solar cell, tin halide perovskite., Charge transport layer free

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Authors: Jiaqi Zhang, Zhi Dong, Pan Xing

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With the continuous development of urban agglomerations, higher demands are placed on intercity public transport travel services. To improve these services, it is necessary to comprehensively understand the views and evaluations of travelers. Taking the Guanzhong Plain urban agglomeration in China as the object, this study explores subjective attitude indicators from self-administrated survey data and examines the relationship among perceived accessibility, preference, and satisfaction for intercity public transport using a structural equation model. The results show that perceived service quality has a direct positive impact on perceived accessibility and satisfaction. Perceived accessibility and preference significantly affect satisfaction. In addition, perceived accessibility mediates the effect of service quality on satisfaction. This study provides valuable insights from a policy perspective to improve the subjective evaluation of intercity public transport travelers while emphasizing the importance of subjective variables in transport system evaluation and advocates for their subdivision to more comprehensively improve the travel experience.

Keywords: intercity public transport, perceived accessibility, satisfaction, structural equation model

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Authors: Frederik Schulte, Stefan Voß

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The adverse effects of air pollution on public health are an increasingly vital problem in planning for urban regions in many parts of the world. The issue is addressed from various angles and by distinct disciplines in research. Epidemiological studies model the relative increase of numerous diseases in response to an increment of different forms of air pollution. A significant share of air pollution in urban regions is related to transport emissions that are often measured and stored in emission inventories. Though, most approaches in transport planning, engineering, and operational design of transport activities are restricted to general emission limits for specific air pollutants and do not consider more nuanced exposure models. We conduct an extensive literature review on exposure models and emission inventories used to study the health impact of transport emissions. Furthermore, we review methods applied in both domains and use emission inventory data of transportation hubs such as ports, airports, and urban traffic for an in-depth analysis of public health impacts deploying medical exposure models. The results reveal specific urban health risks related to transport emissions that may improve urban planning for environmental health by providing insights in actual health effects instead of only referring to general emission limits.

Keywords: emission inventories, exposure models, transport emissions, urban health

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Authors: Stuart W. Campbell, Alexander M. Galloway, Norman A. McPherson, Duncan Camilleri, Daniel Micallef

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Gas tungsten arc welding requires a gas shield to be present in order to protect the arc area from contamination by atmospheric gases. As a result of each gas having its own unique thermophysical properties, the shielding gas selected can have a major influence on the arc stability, welding speed, weld appearance and geometry, mechanical properties and fume generation. Alternating shielding gases is a relatively new method of discreetly supplying two different shielding gases to the welding region in order to take advantage of the beneficial properties of each gas, as well as the inherent pulsing effects generated. As part of an ongoing process to fully evaluate the effects of this novel supply method, a computational fluid dynamics model has been generated to include the gas dependent thermodynamic and transport properties in order to evaluate the effects that an alternating gas supply has on the arc plasma. Experimental trials have also been conducted to validate the model arc profile predictions.

Keywords: Alternating shielding gases, ANSYS CFX, Gas tungsten arc welding(GTAW), magnetohydrodynamics(MHD)

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Authors: Soma Chatterjee, I. Das

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In the present study, we have investigated the structural, electrical and magneto-transport properties of polycrystalline and nanocrystalline Gd0.5Sr0.5MnO3 compounds. The variation of transport properties is modified by tuning the grain size of the material. In the high-temperature semiconducting region, temperature-dependent resistivity data can be well explained by the non-adiabatic small polaron hopping (SPH) mechanism. In addition, the resistivity data for all compounds in the low-temperature paramagnetic region can also be well explained by the variable range hopping (VRH) model. The parameters obtained from SPH and VRH mechanisms are found to be reasonable. In the case of nanocrystalline compounds, there is an overlapping temperature range where both SPH and VRH models are valid simultaneously, and a new conduction mechanism - variable range hopping of small polaron s(VR-SPH) is satisfactorily valid for the whole temperature range of these compounds. However, for the polycrystalline compound, the overlapping temperature region between VRH and SPH models does not exist and the VR-SPH mechanism is not valid here. Thus, polarons play a leading role in selecting different conduction mechanisms in different temperature ranges.

Keywords: electrical resistivity, manganite, small polaron hopping, variable range hopping, variable range of small polaron hopping

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Authors: Mohamad Saab, Florent Real, Francois Virot, Laurent Cantrel, Valerie Vallet

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All spent nuclear fuel reprocessing plants use the PUREX process (Plutonium Uranium Refining by Extraction), which is a liquid-liquid extraction method. The organic extracting solvent is a mixture of tri-n-butyl phosphate (TBP) and hydrocarbon solvent such as hydrogenated tetra-propylene (TPH). By chemical complexation, uranium and plutonium (from spent fuel dissolved in nitric acid solution), are separated from fission products and minor actinides. During a normal extraction operation, uranium is extracted in the organic phase as the UO₂(NO₃)₂(TBP)₂ complex. The TBP solvent can form an explosive mixture called red oil when it comes in contact with nitric acid. The formation of this unstable organic phase originates from the reaction between TBP and its degradation products on the one hand, and nitric acid, its derivatives and heavy metal nitrate complexes on the other hand. The decomposition of the red oil can lead to violent explosive thermal runaway. These hazards are at the origin of several accidents such as the two in the United States in 1953 and 1975 (Savannah River) and, more recently, the one in Russia in 1993 (Tomsk). This raises the question of the exothermicity of reactions that involve TBP and all other degradation products, and calls for a better knowledge of the underlying chemical phenomena. A simulation tool (Alambic) is currently being developed at IRSN that integrates thermal and kinetic functions related to the deterioration of uranyl nitrates in organic and aqueous phases, but not of the n-butyl phosphate. To include them in the modeling scheme, there is an urgent need to obtain the thermodynamic and kinetic functions governing the deterioration processes in liquid phase. However, little is known about the thermodynamic properties, like standard enthalpies of formation, of the n-butyl phosphate molecules and of the UO₂(NO₃)₂(TBP)₂ UO₂(NO₃)₂(HDBP)(TBP) and UO₂(NO₃)₂(HDBP)₂ complexes. In this work, we propose to estimate the thermodynamic properties with Quantum Methods (QM). Thus, in the first part of our project, we focused on the mono, di, and tri-butyl complexes. Quantum chemical calculations have been performed to study several reactions leading to the formation of mono-(H₂MBP), di-(HDBP), and TBP in gas and liquid phases. In the gas phase, the optimal structures of all species were optimized using the B3LYP density functional. Triple-ζ def2-TZVP basis sets were used for all atoms. All geometries were optimized in the gas-phase, and the corresponding harmonic frequencies were used without scaling to compute the vibrational partition functions at 298.15 K and 0.1 Mpa. Accurate single point energies were calculated using the efficient localized LCCSD(T) method to the complete basis set limit. Whenever species in the liquid phase are considered, solvent effects are included with the COSMO-RS continuum model. The standard enthalpies of formation of TBP, HDBP, and H2MBP are finally predicted with an uncertainty of about 15 kJ mol⁻¹. In the second part of this project, we have investigated the fundamental properties of three organic species that mostly contribute to the thermal runaway: UO₂(NO₃)₂(TBP)₂, UO₂(NO₃)₂(HDBP)(TBP), and UO₂(NO₃)₂(HDBP)₂ using the same quantum chemical methods that were used for TBP and its derivatives in both the gas and the liquid phase. We will discuss the structures and thermodynamic properties of all these species.

Keywords: PUREX process, red oils, quantum chemical methods, hydrolysis

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Authors: Marziehossadat Moezzi

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In this paper, electromagnetically induced transparency (EIT) is investigated in a cylindrical quantum dot (QD) with a parabolic confinement potential. We study the effect of control lasers polarization on absorption coefficient, refractive index and also on the generation of the double transparency windows in this system. Considering an effective mass method, the time-independent Schrödinger equation is solved to obtain the energy structure of the QD. Also, we study the effect of structural characteristics of the QD on refraction and absorption of the QD in the presence of EIT.

Keywords: electromagnetically induced transparency, cylindrical quantum dot, absorption coefficient, refractive index

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Authors: Yanan Zhu

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Based on the previous work about the influence mechanism of the mobility difference of phenyl and thienyl substituent semiconductors, we have made further exploration towards to design high-performance organic thin-film transistors. The substituent groups effect plays a significant role in materials properties and device performance as well. For the theoretical study, simulation of materials property and crystal packing can supply scientific guidance for materials synthesis in experiments. This time, we have taken the computational methods to design a new material substituent with furan groups, which are the potential to be used in organic thin-film transistors and organic single-crystal transistors. The reorganization energy has been calculated and much lower than 2,6-diphenyl anthracene (DPAnt), which performs large mobility as more than 30 cm²V⁻¹s⁻¹. Moreover, the other important parameter, charge transfer integral is larger than DPAnt, which suggested the furan substituent material may get a much better charge transport data. On the whole, the mechanism investigation based on phenyl and thienyl assisted in designing novel materials with furan substituent, which is predicted to be an outperformed organic field-effect transistors.

Keywords: theoretical calculation, mechanism, mobility, organic transistors

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Authors: Mariam Badmus, Bothina Manasreh

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Transition metal dichalcogenides (TMDs) have gained significant attention as two-dimensional (2D) materials due to their intrinsic band gaps and unique properties, which make them ideal candidates for electronic and photonic applications. Unlike graphene, which lacks a band gap, TMDs (MX₂, where M is a transition metal and X is a chalcogen such as sulfur, selenium, or tellurium) exhibit semiconductor behavior and can be exfoliated into monolayers, enhancing their properties. The properties of these materials are investigated using density functional theory, a quantum mechanical computational method to solve Schrodinger equation for many body problems to calculate electron density of the atoms involved on which the energy and properties of a system depend. They show promise for use in photodetectors, biosensors, memory devices, and other technologies in communications, health, and energy sectors. In particular, metallic TMDs, which lack an intrinsic band gap, benefit from doping with transition metals, this improves their electronic and optical properties. Doping monolayer TMDs yields more significant improvements than doping bulk materials. Notably, doping with metals such as vanadium enhances the magnetization of TMDs, expanding their potential applications in spintronics. This work highlights the effects of doping on TMDs and explores strategies for optimizing their performance for advanced technological applications.

Keywords: concentration, doping, magnetization, monolayer

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Authors: M. Ndeley

Abstract:

The performance of global manufacturing supply chains depends on the interaction of production and transport processes. Currently, the scheduling of these processes is done separately without considering mutual requirements, which leads to no optimal solutions. An integrated scheduling of both processes enables the improvement of supply chain performance. The integrated production and transport scheduling problem (PTSP) is NP-hard, so that heuristic methods are necessary to efficiently solve large problem instances as in the case of global manufacturing supply chains. This paper presents a heuristic scheduling approach which handles the integration of flexible production processes with intermodal transport, incorporating flexible land transport. The method is based on a graph that allows a reformulation of the PTSP as a shortest path problem for each job, which can be solved in polynomial time. The proposed method is applied to a supply chain scenario with a manufacturing facility in South Africa and shipments of finished product to customers within the Country. The obtained results show that the approach is suitable for the scheduling of large-scale problems and can be flexibly adapted to different scenarios.

Keywords: production and transport scheduling problem, graph based scheduling, integrated scheduling

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Authors: Bakhrouri Sarah

Abstract:

The city of Algiers constitutes the first commercial pole of the country; 56.3% of its economic entities come from the commercial sector. Shopping centers are the new form of commerce that has emerged in the city since the 2000s. They are considered to be commercial and leisure poles and major generators of travel. However, shopping centers in the capital Algiers are poorly served by public transport, and their choice of location is mainly conditioned by the availability of land; accessibility by public transport does not appear to be an important criterion in the choice of their location. As a result, travel to and from these commercial centers is mainly by car, which breaks with the sustainability objectives of national transportation policy. Our study attempts to examine the impact of public transport accessibility of shopping centers on consumers' travel behaviour. The main objective of this research is to determine the link between the accessibility of these facilities, the use of private cars, and public transport modes. To this end, we analyze the choice of travel mode of consumers and the different factors that determine it by focusing on the influence of accessibility. The results showed a considerable influence of the accessibility on the travel behavior of the consumer in Algiers, so it is recommended to improve the accessibility of shopping centers by public transport in order to contribute to a modal shift.

Keywords: accessibility, shopping centers trips, public transportation, Algiers

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Authors: Young-Taeg Kim, Gwang Ho Seo, Hyungju Oh, Ho Kyung Ha, Kuk Jin Kim

Abstract:

Kim et al., hypothesized an increase in volume transport in the Korea Strait based on the concurrent increase in water temperature and mean sea level observed by the Korea Hydrographic and Oceanographic Agency (KHOA) in the vicinity of the Korea Strait from 2000 to 2009. Since then, to our best knowledge, no definitive studies have been reported on the increase in volume transport through the Korea Strait, but the observed water temperature (2000-2021) and sea level (1989-2021) in the Korea Strait and East Sea have been found to be increasing. In particular, the rapid increase rate in the mean sea level rise (2.55~3.53 mm/y) in these areas cannot be explained by only steric effect due to the increased water temperature. It is more reasonable interpretation that the sea level rise is due to an increase in the volume transport of warm and salty currents. If the increase in the volume transport is explained by the geostrophic equation without considering the sea level rise in the Korea Strait, the current velocity should increase. However, up to now, there are no reports of an increase in current velocity from direct observations using ADCP (e.g., observations of Camellia) or from various numerical models. Therefore, the increase in volume transport cannot be explained by the geostrophic equation. Another possible explanation for the increase in the volume transport is the effect of wind. Although Korea is dominated by monsoon, it is affected by winds according to El Niño and La Niña, which have a cycle of about 3 to 4 years. During El Niño (La Niña), northerly winds (southerly winds) prevail in Korea. Consequently, it is inferred that the transported volume in the Korea Strait slowly increases interannually. However, in this study, it was difficult to find a clear correlation between annually-averaged mean sea level and El Niño (or La Niña) during 1989-2021. This is probably due to the interactions of the PDO (Pacific Decadal Oscillation) and AO (Arctic Oscillation) along with the ENSO (El niño-Southern Oscillation). However, it is clear that the interannual variability of winds is affecting the volume transport in the Korean Strait. On the other hand, the effect of global sea level rise on the volume transport in the Korea Strait is small compared to the interannual variability of the volume transport, but it seems to play a constant role.

Keywords: mean sea level, volume transport, El nino, La nina

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Authors: Luis Gimeno, Rosmeri da Rocha, Raquel Nieto, Tercio Ambrizzi, Alex Ramos, Anita Drumond

Abstract:

The transport of moisture from oceanic sources to the continents represents the atmospheric branch of the water cycle, forming the connection between evaporation from the ocean and precipitation over the continents. In this regard two large scale dynamical/meteorological structures appear to play a key role, namely Low Level Jet (LLJ) systems and Atmospheric Rivers (ARs). The former are particularly important in tropical and subtropical regions; the latter is mostly confined to extratropical regions. A key question relates to the anomalies in the transport of moisture observed during natural hazards related to extremes of precipitation (i.e., drought or wet spells). In this study we will be focused on these two major atmospheric moisture transport mechanisms (LLJs and ARs) and its role in precipitation extreme events (droughts and wet spells) in the Amazonia paying particular attention to i) intensification (decreasing) of moisture transport by them and its role in wet spells (droughts), and ii) changes in their positions and occurrence with associated flooding and wet spells.

Keywords: droughts, wet spells, amazonia, LLJs, atmospheric rivers

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Authors: Pedro Paulino

Abstract:

The majority of the world’s population is already living in urban areas and the urban population is expected to keep increasing in the next decades. This exponential increase in urban population carries with it obvious mobility problems. Not only a new paradigm in the transport sector is needed in order to address these problems; effective regulatory policies to ensure the quality of services, passenger rights, competition between operators and consistency of the entire mobile ecosystem are needed as well. The purpose of this paper is to present the problems the world faces in this sector and contribute to their solution. Indeed, our study concludes that only through the active supervision of the markets and the activity of monitoring the various operators will it be possible to develop a sustainable and efficient transport system which meets the needs of a changing world.

Keywords: mobility, regulation policies, sanctioning powers, sustainable transport

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Authors: Dimitrios J. Dimitriou

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The decades after the end of the second War provide evidence that infrastructures investments contibute to economic development, on terms of productivity and income growth. In order to force productivity and increase competitiveness the financing of large transport infrastructure projects are on the top of the agenda in strategic planning process. Such a decision may take form some days to some decades and stakeholders as well as decision makers need tools in order to estimate the economic impact on natioanl economy of such an investment. The key question in such decisions is if the effects caused by the new infrastructure could be able to boost economic development on one hand, and create new jobs and activities on the other. This paper deals with the review of estimation of the mega transport infrastructure projects economic effects in economy.

Keywords: economic impact, transport infrastructure, strategic planning, decision making

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Authors: Amjad Almunyif, Amra Alhassni, Sultan Alhassan, Maryam Al Huwayz, Saud Alotaibi, Abdulaziz Almalki, Mohamed Henini

Abstract:

The effect of rapid thermal annealing (RTA) on the optical properties of InAs quantum dots (QDs) grown at an As overpressure of 2x 10⁻⁶ Torr by molecular beam epitaxy (MBE) on (100) and (311)B GaAs substrates was investigated using photoluminescence (PL) technique. PL results showed that for the as-grown samples, the QDs grown on the high index plane (311)B have lower PL intensity and lower full width at half maximum (FWHM) than those grown on the conventional (100) plane. The latter demonstrates that the (311)B QDs have better size uniformity than (100) QDs. Compared with as-grown samples, a blue-shift was observed for all samples with increasing annealing temperature from 600°C to 700°C. For (100) samples, a narrowing of the FWHM was observed with increasing annealing temperature from 600°C to 700°C. However, in (311)B samples, the FWHM showed a different behaviour; it slightly increased when the samples were annealed at 600°C and then decreased when the annealing temperature increased to 700°C. As expected, the PL peak intensity for all samples increased when the laser excitation power increased. The PL peak energy temperature dependence showed a strong redshift when the temperature was increased from 10 K to 120 K. The PL peak energy exhibited an abnormal S-shape behaviour as a function of temperature for all samples. Most samples exhibited a significant enhancement in their activation energies when annealed at 600°C and 700°C, suggesting that annealing annihilated defects created during sample growth.

Keywords: RTA, QDs, InAs, MBE

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Authors: Ahmad Ghanem, Mohamad Yasin, Mona Abdel Rehim, Fabrice Gouanve, Eliane Espuche

Abstract:

Biodegradable polymers are of great interest, especially for biomedical and packaging applications. Current research efforts are focused on the development of biopolymers with the purpose of reducing the plastic pollution induced by the widely used in biodegradable polyolefins. The main challenge is focused on the elaboration of biopolymers having properties competitive to those of polyolefins. On the other hand, graphene oxide (GO), a graphene derivative, is characterized by the presence of several functional groups on the surface such as carboxylic, hydroxyl and epoxide. This feature enables modification of GO surface with different modifiers to obtain versatile surface properties and overcome the problem of graphene sheets aggregations during inclusion in a polymer matrix. In this context, poly (butylene succinate) (PBS) as promising biopolyester is modified through blending with different ratios of functionalized (GO) to improve its barrier properties. Modification of GO has been carried out using different hyperbranched polymeric structures in order to increase miscibility of the nanosheets in the hosting polymeric matrix. Films have been prepared from the modified PBS and their mechanical, thermal and gas barrier properties were investigated. The results reveal enhancement in the thermal and mechanical properties beside observed improvement of the barrier properties for the films prepared from the modified PBS. This improvement is related to the strong dependence on tortuosity effects of dispersion, exfoliation levels of fillers into the polymer matrix and interactions between the fillers and the polymer matrix.

Keywords: gas barrier properties, graphene oxide, food packaging, transport properties

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