Search results for: three dimensional emission spectral studies

Authors: Adriano Valdes-Gomez, Francisco Javier Sevilla

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We devise a numerical algorithm to simulate the diffusion of a Brownian particle restricted to the surface of a three-dimensional sphere when the particle is under the effects of an external potential that is coupled linearly. It is obtained using elementary geometry, yet, it converges, in the weak sense, to the solutions to the Smoluchowski equation. Rotations on the sphere, which are the analogs of linear displacements in euclidean spaces, are calculated using algebraic operations and then by a proper scaling, which makes the algorithm efficient and quite simple, especially to what may be the short-time propagator approach. Our findings prove that the global effects of curvature are taken into account in both dynamic and stationary processes, and it is not restricted to work in configuration space, neither restricted to the overdamped limit. We have generalized it successfully to simulate the Kramers or the Ornstein-Uhlenbeck process, where it is necessary to work directly in phase space, and it may be adapted to other two dimensional surfaces with non-constant curvature.

Keywords: diffusion on the sphere, Fokker-Planck equation on the sphere, non equilibrium processes on the sphere, numerical methods for diffusion on the sphere

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Authors: Hamad Almohamadi, Nabeel H. Alharthi, Abdulrahman Aljabri

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In this study, two-dimensional CuFeOx is deposited on nickel foam for the fabrication of electrocatalyst for oxygen evolution reaction (OER). The in-situ hydrothermal synthesis of CuFeOx in presence of aloe vera extract was found to yield unique nano-rose-like morphology which aided to improve the electrochemical surface area of the electrode. The phytochemical assisted synthesis of CuFeOx using 75% aloe vera extract resulted in improved OER electrocatalytic performance by attaining the overpotential of 310 mV for 50 mA cm−2 and 410 mV for 100 mA cm−2. The electrode also sustained robust stability throughout the 50 h of chronopotentiometry studies under alkaline electrolyte conditions, thus proving to be prospective electrode material for efficient OER in electrochemical water splitting.

Keywords: water splitting, phytochemicals, oxygen evaluation reaction, Tafel's slope, stability

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Authors: Nuridayanti Che Khalib, Kaliyaperumal Thanigaimani, Suhana Arshad, Ibrahim Abdul Razak

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The 1:1 co-crystal of 2-amino-4-chloro-6-methylpyrimidine (2A4C6MP) with 4-methylbenzoic acid (4MBA) (I) has been prepared by slow evaporation method in methanol, which was crystallized in monoclinic C2/c space group, Z = 8, a = 28.431 (2) Å, b = 7.3098 (5) Å, c = 14.2622 (10) Å, and β = 109.618 (3)°. The presence of unionized –COOH functional group in co-crystal I was identified both by spectral methods (1H and 13C NMR, FTIR) and X-ray diffraction structural analysis. The 2A4C6MP molecule interact with the carboxylic group of the respective 4MBA molecule through N—H⋯O and O—H⋯N hydrogen bonds, forming a cyclic hydrogen –bonded motif R22(8). The crystal structure was stabilized by Npyrimidine-H⋯O=C and C=O-H⋯Npyrimidine types hydrogen bonding interactions. Theoretical investigations have been computed by HF and density function (B3LYP) method with 6-311+G(d,p) basis set. The vibrational frequencies together with 1H and 13C NMR chemical shifts have been calculated on the fully optimized geometry of co-crystal I. Theoretical calculations are in good agreement with the experimental results. Solvent-free formation of this co-crystal I is confirmed by powder X-ray diffraction analysis.

Keywords: supramolecular co-crystal, 2-amino-4-chloro-6-methylpyrimidine, Harthree-Fock and DFT studies, spectroscopic analysis

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Authors: B. Wang, W. H. Or, S.C. Lee, Y.C. Leung, B. Organ

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This study presents an investigation of diesel vehicle particulate-phase emissions with neat ultralow sulphur diesel (B0, ULSD) and 5% waste cooking oil-based biodiesel blend (B5) in Hong Kong. A Euro VI light duty diesel vehicle was tested under transient (New European Driving Cycle (NEDC)), steady-state and idling on a chassis dynamometer. Chemical analyses including organic carbon (OC), elemental carbon (EC), as well as 30 polycyclic aromatic hydrocarbons (PAHs) and 10 oxygenated PAHs (oxy-PAHs) were conducted. The OC fuel-based emission factors (EFs) for B0 ranged from 2.86 ± 0.33 to 7.19 ± 1.51 mg/kg, and those for B5 ranged from 4.31 ± 0.64 to 15.36 ± 3.77 mg/kg, respectively. The EFs of EC were low for both fuel blends (0.25 mg/kg or below). With B5, the EFs of total PAHs were decreased as compared to B0. Specifically, B5 reduced total PAH emissions by 50.2%, 30.7%, and 15.2% over NEDC, steady-state and idling, respectively. It was found that when B5 was used, PAHs and oxy-PAHs with lower molecular weight (2 to 3 rings) were reduced whereas PAHs/oxy-PAHs with medium or high molecular weight (4 to 7 rings) were increased. Our study suggests the necessity of taking atmospheric and health factors into account for biodiesel application as an alternative motor fuel.

Keywords: biodiesel, OC/EC, PAHs, vehicular emission

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Authors: Gobinda Gopal Khan, Ashutosh K. Singh, Debasish Sarkar

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This study reports the facile fabrication of 1D ZnO/α-Fe2O3 semiconductor nano-heterostructures (SNHs), and we investigate the strong interfacial interactions at the heterojunction, resulting in novel multifunctionality in the hybrid structure. ZnO-coated α-Fe2O3 nanowires (NWs) have been prepared by combining electrodeposition and wet chemical methods. Significant improvement in electrical conductivity, photoluminescence, and room temperature magnetic properties have been observed for the ZnO/α-Fe2O3 SNHs over the pristine α-Fe2O3 NWs because of the contribution of the ZnO nanolayer. The increase in electrical conductivity in ZnO/α-Fe2O3 SNHs is because of the increase in free electrons in the conduction band of the SNHs due to the formation of type-II n-n band configuration at the heterojunction. The SNHs are found to exhibit enhanced visible green photoluminescence along with the UV emission at room temperature. The band-gap emission of the α-Fe2O3 NWs coupled to the defect emissions of the ZnO in SNHs can be attributed to the profound enhancement of the visible green luminescence. Ferromagnetism of the SNHs is found to be increased nearly five times in magnitude over the primeval α-Fe2O3 NWs, which can be ascribed to the exchange coupling of the interfacial spin at ZnO/α-Fe2O3 interface, the surface spin of ZnO nanolayer, along with the structural defects like the cation vacancies (VZn) and the singly ionized oxygen vacancies (Vo•) present in SNHs.

Keywords: nano-heterostructures, photoluminescence, electrical property, magnetism

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Authors: Changwon Kwak, Innjoon Park, Dongin Jang

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Seismic load affects the behavior of underground structure like tunnel broadly. Seismic soil-structure interaction can play an important role in the dynamic behavior of tunnel. In this research, twin tunnel with flexible joint was physically modeled and the dynamic centrifuge test was performed to investigate seismic behavior of twin tunnel. Seismic waves have different frequency were exerted and the characteristics of response were obtained from the test. Test results demonstrated the amplification of peak acceleration in the longitudinal direction in seismic waves. The effect of the flexible joint was also verified. Additionally, 3-dimensional finite difference dynamic analysis was conducted and the analysis results exhibited good agreement with the test results.

Keywords: 3-dimensional finite difference dynamic analysis, dynamic centrifuge test, flexible joint, seismic soil-structure interaction

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Authors: Shady Adib, Vladimir Vinogradov, Peter Gosling

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Digital Twin (DT) technology is a new technology that appeared in the early 21st century. The DT is defined as the digital representation of living and non-living physical assets. By connecting the physical and virtual assets, data are transmitted smoothly, allowing the virtual asset to fully represent the physical asset. Although there are lots of studies conducted on the DT concept, there is still limited information about the ability of the DT models for monitoring and detecting unexpected changes in structural behaviour in real time. This is due to the large computational efforts required for the analysis and an excessively large amount of data transferred from sensors. This paper aims to develop the DT concept to be able to detect the abnormal changes in structural behaviour in real time using advanced modelling techniques, deep learning algorithms, and data acquisition systems, taking into consideration model uncertainties. finite element (FE) models were first developed offline to be used with a reduced basis (RB) model order reduction technique for the construction of low-dimensional space to speed the analysis during the online stage. The RB model was validated against experimental test results for the establishment of a DT model of a two-dimensional truss. The established DT model and deep learning algorithms were used to identify the location of damage once it has appeared during the online stage. Finally, the RB model was used again to identify the damage severity. It was found that using the RB model, constructed offline, speeds the FE analysis during the online stage. The constructed RB model showed higher accuracy for predicting the damage severity, while deep learning algorithms were found to be useful for estimating the location of damage with small severity.

Keywords: data acquisition system, deep learning, digital twin, model uncertainties, reduced basis, reduced order model

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Authors: A. Fettahoglu

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Theory of viscoelasticity is used by many researchers to represent the behavior of many materials such as pavements on roads or bridges. Several researches used analytical methods and rheology to predict the material behaviors of simple models. Today, more complex engineering structures are analyzed using Finite Element Method, in which material behavior is embedded by means of three dimensional viscoelastic material laws. As a result, structures of unordinary geometry and domain can be analyzed by means of Finite Element Method and three dimensional viscoelastic equations. In the scope of this study, rheological models embedded in ANSYS, namely, generalized Maxwell model and Prony series, which are two methods used by ANSYS to represent viscoelastic material behavior, are presented explicitly. Afterwards, a guide is illustrated to ease using of viscoelasticity tool in ANSYS.

Keywords: ANSYS, generalized Maxwell model, finite element method, Prony series, viscoelasticity, viscoelastic material curve fitting

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Authors: M. S. Meon, M. N. Rao, K-U. Schröder

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Mechanical fasteners especially bolting is commonly used in joining carbon-fiber reinforced polymer (CFRP) composite structures due to their good joinability and easy for maintenance characteristics. Since this approach involves with notching, a proper progressive damage model (PDM) need to be implemented and verified to capture existence of damages in the structure. A three dimensional (3D) failure criteria of Puck is established to predict the ultimate bearing failure of such joint. The failure criteria incorporated with degradation scheme are coded based on user subroutine executed in Abaqus. Single lap joint (SLJ) of composite bolted joint is used as target configuration. The results revealed that the PDM adopted here could sufficiently predict the behaviour of composite bolted joint up to ultimate bearing failure. In addition, mesh refinement near holes increased the accuracy of predicted strength as well as computational effort.

Keywords: bearing strength, bolted joint, degradation scheme, progressive damage model

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Authors: Ju-Hong Lee, Yi-Lin Shieh

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Two-dimensional (2-D) quadrature mirror filter (QMF) banks have been widely considered for high-quality coding of image and video data at low bit rates. Without implementing subband coding, a 2-D QMF bank is required to have an exactly linear-phase response without magnitude distortion, i.e., the perfect reconstruction (PR) characteristics. The design problem of 2-D QMF banks with the PR characteristics has been considered in the literature for many years. This paper presents a transformation approach for designing 2-D two-channel QMF banks. Under a suitable one-dimensional (1-D) to two-dimensional (2-D) transformation with a specified decimation/interpolation matrix, the analysis and synthesis filters of the QMF bank are composed of 1-D causal and stable digital allpass filters (DAFs) and possess the 2-D doubly complementary half-band (DC-HB) property. This facilitates the design problem of the two-channel QMF banks by finding the real coefficients of the 1-D recursive DAFs. The design problem is formulated based on the minimax phase approximation for the 1-D DAFs. A novel objective function is then derived to obtain an optimization for 1-D minimax phase approximation. As a result, the problem of minimizing the objective function can be simply solved by using the well-known weighted least-squares (WLS) algorithm in the minimax (L∞) optimal sense. The novelty of the proposed design method is that the design procedure is very simple and the designed 2-D QMF bank achieves perfect magnitude response and possesses satisfactory phase response. Simulation results show that the proposed design method provides much better design performance and much less design complexity as compared with the existing techniques.

Keywords: Quincunx QMF bank, doubly complementary filter, digital allpass filter, WLS algorithm

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Authors: Maged El-Sayed Mohamed

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Eucalyptus camaldulensis is one on the most well-known species of the genus Eucalyptus in the Middle east, its importance relay on the high production of its unique volatile constituents which exhibits many medicinal and pharmacological activities. The gall-forming wasp (Leptocybe invasa) has recently come into sight as the main pest attacking E. camaldulensis and causing severe injury. The wasp lays its eggs in the petiole and midrib of leaves and stems of young shoots of E. camaldulensis, which leads to gall formation. Gall formation by L. invasa damages growing shoot and leaves of Eucalyptus, resulting in abscission of leaves and drying. AIM: This study is an attempt to investigate the effect of the gall wasp (Leptocybe invasa) attack on the volatile constitutes of E. camaldulensis. This could help in the control of this wasp through stimulating plant defenses or production of a new allelochemicals or insecticide. The study of volatile constitutes of Eucalyptus before and after attack by the wasp can help the re-use and recycle of the infected Eucalyptus trees for new pharmacological and medicinal activities. Methodology: The fresh gall wasp-attacked and healthy leaves (100 g each) were cut and immediately subjected to hydrodistillation using Clevenger-type apparatus for 3 hours. The volatile fractions isolated were analyzed using Gas chromatography/mass spectrometry (GC/MS). Kovat’s retention indices (RI) were calculated with respect to a set of co-injected standard hydrocarbons (C10-C28). Compounds were identified by comparing their spectral data and retention indices with Wiley Registry of Mass Spectral Data 10th edition (April 2013), NIST 11 Mass Spectral Library (NIST11/2011/EPA/NIH) and literature data. Results: Fifty-nine components representing 89.13 and 88.60% of the total volatile fraction content respectively were quantitatively analyzed. Twenty-six major compounds at an average concentration greater than 0.1 ± 0.02% have been used for the statistical comparison. From those major components, twenty-one were found in both the attacked and healthy Eucalyptus leaves’ fractions in different concentration and five components, mono terpene p-Mentha-2-4(8) diene and the sesquiterpenes δ-elemene, β-elemene, E-caryophyllene and Bicyclogermacrene, were unique and only produced in the attacked-leaves’ fraction. CONCLUSION: Newly produced components or those commonly found in the volatile fraction and changed in concentration could represent a part of the plant defense mechanisms or might be an element of the plant allelopathic and communication mechanisms. Identification of the components of the gall wasp-damaged leaves can help in their recycling for different physiological, pharmacological and medicinal uses.

Keywords: Eucalyptus camaldulensis, eucalyptus recycling, gall wasp, Leptocybe invasa, plant defense mechanisms, Terpene fraction

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Authors: Andy Zhang, Awnik Roy, Trevor B. Chen, Bibik Oleksandar, Subodh Adhikari, Paul S. Hsu

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The durability of a combustor in gas-turbine engines is a strong function of its component temperatures and requires good control of these temperatures. Since the temperature of combustion gases frequently exceeds the melting point of the combustion liner walls, an efficient air-cooling system with optimized flow rates of cooling air is significantly important to elongate the lifetime of liner walls. To determine the effectiveness of the air-cooling system, accurate two-dimensional (2D) surface temperature measurement of combustor liner walls is crucial for advanced engine development. Traditional diagnostic techniques for temperature measurement in this application include the rmocouples, thermal wall paints, pyrometry, and phosphors. They have shown some disadvantages, including being intrusive and affecting local flame/flow dynamics, potential flame quenching, and physical damages to instrumentation due to harsh environments inside the combustor and strong optical interference from strong combustion emission in UV-Mid IR wavelength. To overcome these drawbacks, a compact and small borescope long-wave-infrared (LWIR) sensor is developed to achieve 2D high-spatial resolution, high-fidelity thermal imaging of 2D surface temperature in gas-turbine engines, providing the desired engine component temperature distribution. The compactLWIRborescope sensor makes it feasible to promote the durability of a combustor in gas-turbine engines and, furthermore, to develop more advanced gas-turbine engines.

Keywords: borescope, engine, low-wave-infrared, sensor

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Authors: Habib Alah Dadgar, Nasim Norouzbeigi

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The precise definition margin of high and low-grade gliomas is crucial for treatment. We aimed to assess the feasibility of assessment of the resection legions with post-operative positron emission tomography (PET) using [18F]O-(2-[18F]-fluoroethyl)-L-tyrosine ([18F]FET). Four patients with the suspicion of high and low-grade were enrolled. Patients underwent post-operative [18F]FET-PET, pre-operative magnetic resonance imaging (MRI) and CT for clinical evaluations. In our study, three patients had negative response to recurrence and progression and one patient indicated positive response after surgery. [18F]FET-PET revealed a legion of increased radiotracer uptake in the dura in the craniotomy site for patient 1. Corresponding to the patient history, the study was negative for recurrence of brain tumor. For patient 2, there was a lesion in the right parieto-temporal with slightly increased uptake in its posterior part with SUVmax = 3.79, so the study was negative for recurrence evaluation. In patient 3 there was no abnormal uptake with negative result for recurrence of brain tumor. Intense radiotracer uptake in the left parietal lobe where in the MRI there was a lesion with no change in enhancement in the post-contrast image is indicated in patient 4. Assessment of the resection legions in high and low-grade gliomas with [18F]FET-PET seems to be useful.

Keywords: FET-PET, CT, glioma, MRI

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Authors: Edwina Luck, Rory Mulcahy

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This paper explores a distinctive perspective of resources which are integrated to co-destroy transformative value in sport. Combining previously published transformative service research and sports literature with data from twenty in-depth interviews with elite and Olympic rowers, our study uncovers the co-destructive resources of ‘interpersonal misbehavior’ and ‘sport misbehavior’. We also identified transformative value in sport is multi-dimensional, encompassing important benefits that support well-being. This research has important implications for transformative sport service research, recommending the need to embrace a transformative service lens to value, a more holistic understanding of co-destruction, and the need to utilise multi-dimensional frameworks to ensure greater insights into sport and sports services and their impact on sportsperson’s well-being. Gaining this understanding will encourage sport managers, sporting bodies to justify resources that they integrate based upon their impact on co-destruction of value.

Keywords: elite sports, sport misbehavior, transformative sport service research, value co-destruction

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Authors: Yingwei Hou, Tao Liu, Yong Pang

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The paper explored the three-dimensional deformation of mussel plaques anchor to wet polydimethylsiloxane (PDMS) substrates under tension stress with different angles. Mussel plaques exhibiting natural adhesive structures, have attracted significant attention for their remarkable adhesion properties. Understanding their behavior under mechanical stress, particularly in a three-dimensional context, holds immense relevance for biomimetic material design and bio-inspired adhesive development. This study employed a novel approach to investigate the 3D deformation of the PDMS substrates anchored by mussel plaques subjected to controlled tension. Utilizing our customized stereo digital image correlation technique and mechanical mechanics analyses, we found the distributions of the displacement and resultant force on the substrate became concentrated under the plaque. Adhesion and sucking mechanisms were analyzed for the mussel plaque-substrate system under tension until detachment. The experimental findings were compared with a developed model using finite element analysis and the results provide new insights into mussels’ attachment mechanism. This research not only contributes to the fundamental understanding of biological adhesion but also holds promising implications for the design of innovative adhesive materials with applications in fields such as medical adhesives, underwater technologies, and industrial bonding. The comprehensive exploration of mussel plaque behavior in three dimensions is important for advancements in biomimicry and materials science, fostering the development of adhesives that emulate nature's efficiency.

Keywords: adhesion mechanism, mytilus edulis, mussel plaque, stereo digital image correlation

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Authors: B. V. Lande, Suhas Kongare

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Fuel blend of alcohol and conventional hydrocarbon fuels for a spark ignition engine can increase the fuel octane rating and the power for a given engine displacement and compression ratio. The greatest advantage of ethanol as a fuel in SI Engines is its high octane number. The efficiency of an SI engine that is the ability to convert fuel energy to mechanical energy, mainly depends on the compression ratio. It is, therefore, an advantage to increase this as much as possible. The major restraint is the fuel octane number – high octane fuels can be used with high compression ratios, thus yielding higher energy efficiency. This work investigates to suggest suitable ethanol gasoline blend and compression ratio for single cylinder four strokes SI Engine on the basis of performance and exhaust emissions. A single cylinder four stroke SI Engine was tested with different blend of ethanol – gasoline like E5 (5% ethanol +95% gasoline), E10 (10% ethanol + 90% gasoline) E15 (15% ethanol + 85% petrol) and E20 ( 20% + 80% gasoline) with Variable compression ratio. The performance parameter evaluated BSFC, Brake thermal efficiency and also exhaust emission CO2, Co & HC%. The result showed that higher compression ratio improved engine Performance and reduction in exhaust emission.

Keywords: blend, compression ratio, ethanol, performance, blend

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Authors: Shuo Lei

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In order to explore the influencing factors of residents' energy consumption and carbon emissions in different types of communities, this paper conducted research on residents' household energy consumption and carbon emissions in different types of communities in Caijia New Town, Chongqing. By calculating the carbon emissions of residents' household energy consumption, we analyze the structure and characteristics of the energy consumption of households in each type of community. At the same time, the key influencing factors affecting the carbon emissions of residents' energy consumption in Caijia New Town are analyzed from both social and spatial perspectives. The results of the study show that: (1) different types of neighborhoods have a clustering and locking effect on different types of resident groups, which makes the distribution of household energy consumption and carbon emissions closely related to the characteristics of the residents; (2) social and spatial factors have an impact on the residents' energy consumption and carbon emissions, and there is a significant difference in the carbon emission levels of different types of neighborhoods. Accordingly, an identification method is proposed to recognize the carbon emissions of Caijia New Town and even Chongqing City, which provides technical reference for the sustainable planning of low-carbon communities.

Keywords: community type, residential energy consumption and carbon emissions, residential differentiation, influencing factors, low-carbon community

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Authors: Zhipeng Feng, Huanhuan Qi, Pingchuan Shen, Fenggang Zang, Yixiong Zhang

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Numerical simulations of vortex-induced vibration of a three-dimensional flexible tube under uniform turbulent flow are calculated when Reynolds number is 1.35×10⁴. In order to achieve the vortex-induced vibration, the three-dimensional unsteady, viscous, incompressible Navier-Stokes equation and LES turbulence model are solved with the finite volume approach, the tube is discretized according to the finite element theory, and its dynamic equilibrium equations are solved by the Newmark method. The fluid-tube interaction is realized by utilizing the diffusion-based smooth dynamic mesh method. Considering the vortex-induced vibration system, the variety trends of lift coefficient, drag coefficient, displacement, vertex shedding frequency, phase difference angle of tube are analyzed under different frequency ratios. The nonlinear phenomena of locked-in, phase-switch are captured successfully. Meanwhile, the limit cycle and bifurcation of lift coefficient and displacement are analyzed by using trajectory, phase portrait, and Poincaré sections. The results reveal that: when drag coefficient reaches its minimum value, the transverse amplitude reaches its maximum, and the “lock-in” begins simultaneously. In the range of lock-in, amplitude decreases gradually with increasing of frequency ratio. When lift coefficient reaches its minimum value, the phase difference undergoes a suddenly change from the “out-of-phase” to the “in-phase” mode.

Keywords: vortex induced vibration, limit cycle, LES, CFD, FEM

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Authors: Julia Zimmerman, Gaurav Savant

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This study aims to evaluate the efficacy of the U.S. Army Corp of Engineers’ River Analysis System (HEC-RAS) application to modeling the hydraulics of estuaries. HEC-RAS has been broadly used for a variety of riverine applications. However, it has not been widely applied to the study of circulation in estuaries. This report details the model development and validation of a combined 1D/2D unsteady flow hydraulic model using HEC-RAS for estuaries and they are associated with tidally influenced rivers. Two estuaries, Galveston Bay and Delaware Bay, were used as case studies. Galveston Bay, a bar-built, vertically mixed estuary, was modeled for the 2005 calendar year. Delaware Bay, a drowned river valley estuary, was modeled from October 22, 2019, to November 5, 2019. Water surface elevation was used to validate both models by comparing simulation results to NOAA’s Center for Operational Oceanographic Products and Services (CO-OPS) gauge data. Simulations were run using the Diffusion Wave Equations (DW), the Shallow Water Equations, Eulerian-Lagrangian Method (SWE-ELM), and the Shallow Water Equations Eulerian Method (SWE-EM) and compared for both accuracy and computational resources required. In general, the Diffusion Wave Equations results were found to be comparable to the two Shallow Water equations sets while requiring less computational power. The 1D/2D combined approach was valid for study areas within the 2D flow area, with the 1D flow serving mainly as an inflow boundary condition. Within the Delaware Bay estuary, the HEC-RAS DW model ran in 22 minutes and had an average R² value of 0.94 within the 2-D mesh. The Galveston Bay HEC-RAS DW ran in 6 hours and 47 minutes and had an average R² value of 0.83 within the 2-D mesh. The longer run time and lower R² for Galveston Bay can be attributed to the increased length of the time frame modeled and the greater complexity of the estuarine system. The models did not accurately capture tidal effects within the 1D flow area.

Keywords: Delaware bay, estuarine hydraulics, Galveston bay, HEC-RAS, one-dimensional modeling, two-dimensional modeling

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Authors: M. Ouassaf, S. Belaid

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A series of quinoline derivatives with antimalarial activity were subjected to two-dimensional quantitative structure-activity relationship (2D-QSAR) studies. Three models were implemented using multiple regression linear MLR, a regression partial least squares (PLS), nonlinear regression (MNLR), to see which descriptors are closely related to the activity biologic. We relied on a principal component analysis (PCA). Based on our results, a comparison of the quality of, MLR, PLS, and MNLR models shows that the MNLR (R = 0.914 and R² = 0.835, RCV= 0.853) models have substantially better predictive capability because the MNLR approach gives better results than MLR (R = 0.835 and R² = 0,752, RCV=0.601)), PLS (R = 0.742 and R² = 0.552, RCV=0.550) The model of MNLR gave statistically significant results and showed good stability to data variation in leave-one-out cross-validation. The obtained results suggested that our proposed model MNLR may be useful to predict the biological activity of derivatives of quinoline.

Keywords: antimalarial, quinoline, QSAR, PCA, MLR , MNLR, MLR

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Authors: Chun-Yu Chen, Kua-Rong Wu, Yu-Cheng Chen, Perng-Jy Tsai

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Cooking fumes are known containing polycyclic aromatic hydrocarbons (PAHs) and aldehydes, and some of them have been proven carcinogenic or possibly carcinogenic to humans. Considering their chronic health effects, long-term exposure data is required for assessing cooking workers’ lifetime health risks. Previous exposure assessment studies, due to both time and cost constraints, mostly were based on the cross-sectional data. Therefore, establishing a long-term exposure data has become an important issue for conducting health risk assessment for cooking workers. An approach was proposed in this study. Here, the generation rates of both PAHs and aldehydes from a cooking process were determined by placing a sampling train exactly under the under the exhaust fan under the both the total enclosure condition and normal operating condition, respectively. Subtracting the concentration collected by the former (representing the total emitted concentration) from that of the latter (representing the hood collected concentration), the fugitive emitted concentration was determined. The above data was further converted to determine the generation rates based on the flow rates specified for the exhaust fan. The determinations of the above generation rates were conducted in a testing chamber with a selected cooking process (deep-frying chicken nuggets under 3 L peanut oil at 200°C). The sampling train installed under the exhaust fan consisted respectively an IOM inhalable sampler with a glass fiber filter for collecting particle-phase PAHs, followed by a XAD-2 tube for gas-phase PAHs. The above was also used to sample aldehydes, however, installed with a filter pre-coated with DNPH, and followed by a 2,4-DNPH-cartridge for collecting particle-phase and gas-phase aldehydes, respectively. PAHs and aldehydes samples were analyzed by GC/MS-MS (Agilent 7890B), and HPLC-UV (HITACHI L-7100), respectively. The obtained generation rates of both PAHs and aldehydes were applied to the near-field/ far-field exposure model to estimate the exposures of cooks (the estimated near-field concentration), and helpers (the estimated far-field concentration). For validating purposes, both PAHs and aldehydes samplings were conducted simultaneously using the same sampling train at both near-field and far-field sites of the testing chamber. The sampling results, together with the use of the mixed-effect model, were used to calibrate the estimated near-field/ far-field exposures. In the present study, the obtained emission rates were further converted to emission factor of both PAHs and aldehydes according to the amount of food oil consumed. Applying the long-term food oil consumption records, the emission rates for both PAHs and aldehydes were determined, and the long-term exposure databanks for cooks (the estimated near-field concentration), and helpers (the estimated far-field concentration) were then determined. Results show that the proposed approach was adequate to determine the generation rates of both PAHs and aldehydes under various fan exhaust flow rate conditions. The estimated near-field/ far-field exposures, though were significantly different from that obtained from the field, can be calibrated using the mixed effect model. Finally, the established long-term data bank could provide a useful basis for conducting long-term exposure assessments for cooking workers exposed to PAHs and aldehydes.

Keywords: aldehydes, cooking oil fumes, long-term exposure assessment, modeling, polycyclic aromatic hydrocarbons (PAHs)

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Authors: Christina Eleftheria Tzeliou, Demeter Tzeli

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Introduction: Molecular Logic Gates (MLGs) are molecular machines that can perform complex work, such as solving logic operations. Molecular switches, which are molecules that can experience chemical changes are examples of successful types of MLGs. Recently, Quintana-Romero and Ariza-Castolo studied experimentally six stable pseudo-hemi-indigo-derived MLGs capable of solving complex logic operations. The MLG design relies on a molecular switch that experiences Z and E isomerism, thus the molecular switch's axis has to be a double bond. The hemi-indigo structure was preferred for the assembly of molecular switches due to its interaction with visible light. Z and E pseudo-hemi-indigo isomers can also be utilized for selective isomerization as they have distinct absorption spectra. Methodology: Here, the photophysical properties of pseudo-hemi-indigo derivatives are examined, i.e., derivatives of molecule 1 with anthracene, naphthalene, phenanthrene, pyrene, and pyrrole. In conjunction with some trials that were conducted, the level of theory mentioned subsequently was determined. The structures under study were optimized in both cis and trans conformations at the PBE0/6-31G(d,p) level of theory. The absorption spectra of the structures were calculated at PBE0/DEF2TZVP. In all cases, the absorption spectra of the studied systems were calculated including up to 50 singlet- and triplet-spin excited electronic states. Transition states (cis → cis, cis → trans, and trans → trans) were obtained in cases where it was possible, with PBE0/6-31G(d,p) for the optimization of the transition states and PBE0/DEF2TZVP for the respective absorption spectra. Emission spectra were obtained for the first singlet state of each molecule in cis both and trans conformations in PBE0/DEF2TZVP as well. All studies were performed in chloroform solvent that was added as a dielectric constant and the polarizable continuum model was also employed. Findings: Shifts of up to 25 nm are observed in the absorption spectra due to cis-trans isomerization, while the transition state is shifted up to about 150 nm. The electron density distribution is also examined, where charge transfer and electron transfer phenomena are observed regarding the three excitations of interest, i.e., H-1 → L, H → L and H → L+1. Emission spectra calculations were also carried out at PBE0/DEF2TZVP for the complete investigation of these molecules. Using protonation as input, selected molecules act as MLGs. Conclusion: Theoretical data so far indicate that both cis-trans isomerization, and cis-cis and trans-trans conformer isomerization affect the UV-visible absorption and emission spectra. Specifically, shifts of up to 30 nm are observed, while the transition state is shifted up to about 150 nm in cis-cis isomerization. The computational data obtained are in agreement with available experimental data, which have predicted that the pyrrole derivative is a MLG at 445 nm and 400 nm using protonation as input, while the anthracene derivative is a MLG that operates at 445 nm using protonation as input. Finally, it was found that selected molecules are candidates as MLG using protonation and light as inputs. These MLGs could be used as chemical sensors or as particular intracellular indicators, among several other applications. Acknowledgements: The author acknowledges the Hellenic Foundation for Research and Innovation for the financial support of this project (Fellowship Number: 21006).

Keywords: absorption spectra, DFT calculations, isomerization, molecular logic gates

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Authors: N. Renuka, R. Ramesh Babu, N. Vijayan

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Ion beams play a significant role in the process of tuning the properties of materials. Based on the radiation behavior, the engineering materials are categorized into two different types. The first one comprises organic solids which are sensitive to the energy deposited in their electronic system and the second one comprises metals which are insensitive to the energy deposited in their electronic system. However, exposure to swift heavy ions alters this general behavior. Depending on the mass, kinetic energy and nuclear charge, an ion can produce modifications within a thin surface layer or it can penetrate deeply to produce long and narrow distorted area along its path. When a high energetic ion beam impinges on a material, it causes two different types of changes in the material due to the columbic interaction between the target atom and the energetic ion beam: (i) inelastic collisions of the energetic ion with the atomic electrons of the material; and (ii) elastic scattering from the nuclei of the atoms of the material, which is extremely responsible for relocating the atoms of matter from their lattice position. The exposure of the heavy ions renders the material return to equilibrium state during which the material undergoes surface and bulk modifications which depends on the mass of the projectile ion, physical properties of the target material, its energy, and beam dimension. It is well established that electronic stopping power plays a major role in the defect creation mechanism provided it exceeds a threshold which strongly depends on the nature of the target material. There are reports available on heavy ion irradiation especially on crystalline materials to tune their physical and chemical properties. L-Arginine Acetate [LAA] is a potential semi-organic nonlinear optical crystal and its optical, mechanical and thermal properties have already been reported The main objective of the present work is to enhance or tune the structural and optical properties of LAA single crystals by heavy ion irradiation. In the present study, a potential nonlinear optical single crystal, L-arginine acetate (LAA) was grown by slow evaporation solution growth technique. The grown LAA single crystal was irradiated with oxygen ions at the dose rate of 600 krad and 1M rad in order to tune the structural and optical properties. The structural properties of pristine and oxygen ions irradiated LAA single crystals were studied using Powder X- ray diffraction and Fourier Transform Infrared spectral studies which reveal the structural changes that are generated due to irradiation. Optical behavior of pristine and oxygen ions irradiated crystals is studied by UV-Vis-NIR and photoluminescence analyses. From this investigation we can concluded that oxygen ions irradiation modifies the structural and optical properties of LAA single crystals.

Keywords: heavy ion irradiation, NLO single crystal, photoluminescence, X-ray diffractometer

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Authors: Abegunde Linda, Adedeji Oluwatola

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It has become increasingly evident that large developments influence the climate within the immediate region and there are concerns that rising temperatures over developed areas could have negative impact and increase living discomfort within city boundaries. Temperature trends in Ibadan city have received minor attention, yet the area has experienced heavy urban expansion between 1972 and 2014. This research aims at examining the impact of landuse change on temperature knowing that the built environment absorbs and stores solar energy, the temperature in cities can be several degrees higher than in adjacent rural areas. This is known as the urban heat island (UHI) effect. The Landsat imagery were used to examine the landuse change for a time period of 42years (1972-2014) and Land surface temperature (LST) was obtained by converting the thermal band to a surface temperature map and zonal statistic analyses was further used to examine the relationship between landuse and temperature emission. The results showed that the settlement area increased by 200km2 while the area covered by vegetation also reduced to about 42.6% during the study period. The spatial and temporal trends of temperature are related to the gradual change in urban landcover and the settlement area has the highest emission of land surface temperature. This research provides useful insight into the temporal behavior of the Ibadan city.

Keywords: landuse, LST, remote sensing, UHI

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Authors: A. B. Disu, M. S. Dada

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This study was conducted to investigate two dimensional heat transfer of a free convective-radiative MHD (Magneto-hydrodynamics) flow with temperature dependent viscosity and heat source of a viscous incompressible fluid in a porous medium between two vertical wavy walls. The fluid viscosity is assumed to vary as an exponential function of temperature. The flow is assumed to consist of a mean part and a perturbed part. The perturbed quantities were expressed in terms of complex exponential series of plane wave equation. The resultant differential equations were solved by Differential Transform Method (DTM). The numerical computations were presented graphically to show the salient features of the fluid flow and heat transfer characteristics. The skin friction and Nusselt number were also analyzed for various governing parameters.

Keywords: differential transform method, MHD free convection, porous medium, two dimensional radiation, two wavy walls

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Authors: S. M. A. Al-Qawabah, A. I. O. Zaid

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Aluminum and its alloys are versatile materials which are widely used in industrial and engineering applications due to their good and useful properties e.g. high strength to weight ratio, high thermal and electrical conductivities and good resistance to corrosion. However, against these favorable properties they have the disadvantage they solidifying large grain columnar structure which negatively affects their mechanical properties and surface quality. Aluminum alloys are normally grain refined by some alloying elements, such as Ti, Ti-B or Zr. In this paper, the effect of zirconium addition to Al grain refined by Ti after extrusion on its wear resistance is investigated under different loads and sliding speeds namely at 5,10 and 20 N loads and sliding speeds ranging from m/min. and m/min. the results are presented in three-dimensional wear mode. To the best the authors' knowledge, the wear of aluminum in 3-dimensions has never been tackled before. In this work, the wear resistance of by presenting the results of wear are presented and discussed on the time, load and speed plots.

Keywords: aluminum grain refined, addition of titanium, wear resistance, titanium

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Authors: Iraklis Argyriou

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The transition to net-zero emission urban bus (ZEB) systems is receiving increased attention in research and policymaking throughout the globe. Most studies in this area tend to address techno-economic aspects and the perspectives of a narrow group of stakeholders, while they largely overlook analysis of current bus system dynamics. This offers limited insight into the types of ZEB governance challenges and opportunities that are encountered in real-world contexts, as well as into some of the immediate actions that need to be taken to set off the transition over the longer term. This research offers a multi-stakeholder perspective into both the technical and non-technical factors that influence ZEB transitions within a particular context, the UK. It does so by drawing from a recent transition visioning stakeholder workshop (June 2023) with key public, private and civic actors of the urban bus transportation system. Using NVivo software to qualitatively analyze the workshop discussions, the research examines the key technological and funding aspects, as well as the short-term actions (over the next five years), that need to be addressed for supporting the ZEB transition in UK cities. It finds that ZEB technology has reached a mature stage (i.e., high efficiency of batteries, motors and inverters), but important improvements can be pursued through greater control and integration of ZEB technological components and systems. In this regard, telemetry, predictive maintenance and adaptive control strategies pertinent to the performance and operation of ZEB vehicles have a key role to play in the techno-economic advancement of the transition. Yet, more pressing gaps were identified in the current ZEB funding regime. Whereas the UK central government supports greater ZEB adoption through a series of grants and subsidies, the scale of the funding and its fragmented nature do not match the needs for a UK-wide transition. Funding devolution arrangements (i.e., stable funding settlement deals between the central government and the devolved administrations/local authorities), as well as locally-driven schemes (i.e., congestion charging/workplace parking levy), could then enhance the financial prospects of the transition. As for short-term action, three areas were identified as critical: (1) the creation of whole value chains around the supply, use and recycling of ZEB components; (2) the ZEB retrofitting of existing fleets; and (3) integrated transportation that prioritizes buses as a first-choice, convenient and reliable mode while it simultaneously reduces car dependency in urban areas. Taken together, the findings point to the need for place-based transition approaches that create a viable techno-economic ecosystem for ZEB development but at the same time adopt a broader governance perspective beyond a ‘net-zero’ and ‘bus sectoral’ focus. As such, multi-actor collaborations and the coordination of wider resources and agency, both vertically across institutional scales and horizontally across transport, energy and urban planning, become fundamental features of comprehensive ZEB responses. The lessons from the UK case can inform a broader body of empirical contextual knowledge of ZEB transition governance within domestic political economies of public transportation.

Keywords: net-zero emission transition, stakeholders, transition governance, UK, urban bus transportation

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Authors: Sebastian Töpfer, Marta Gilaberte Basset, Jorge Fuenzalida, Fabian Steinlechner, Juan P. Torres, Markus Gräfe

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This work introduces a combination of digital phase-shifting holography with a non-linear interferometer using undetected photons. Non-linear interferometers can be used in combination with a measurement scheme called quantum imaging with undetected photons, which allows for the separation of the wavelengths used for sampling an object and detecting it in the imaging sensor. This method recently faced increasing attention, as it allows to use of exotic wavelengths (e.g., mid-infrared, ultraviolet) for object interaction while at the same time keeping the detection in spectral areas with highly developed, comparable low-cost imaging sensors. The object information, including its transmission and phase influence, is recorded in the form of an interferometric pattern. To collect these, this work combines the method of quantum imaging with undetected photons with digital phase-shifting holography with a minimal sampling of the interference. With this, the quantum imaging scheme gets extended in its measurement capabilities and brings it one step closer to application. Quantum imaging with undetected photons uses correlated photons generated by spontaneous parametric down-conversion in a non-linear interferometer to create indistinguishable photon pairs, which leads to an effect called induced coherence without induced emission. Placing an object inside changes the interferometric pattern depending on the object’s properties. Digital phase-shifting holography records multiple images of the interference with determined phase shifts to reconstruct the complete interference shape, which can afterward be used to analyze the changes introduced by the object and conclude its properties. An extensive characterization of this method was done using a proof-of-principle setup. The measured spatial resolution, phase accuracy, and transmission accuracy are compared for different combinations of camera exposure times and the number of interference sampling steps. The current limits of this method are shown to allow further improvements. To summarize, this work presents an alternative holographic measurement method using non-linear interferometers in combination with quantum imaging to enable new ways of measuring and motivating continuing research.

Keywords: digital holography, quantum imaging, quantum holography, quantum metrology

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Authors: Yudhajit Datta, Hamsi Iyer, Jonathan Bandi, Ankit Sethia

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Motion Tracking and Stereo Vision are complicated, albeit well-understood problems in computer vision. Existing softwares that combine the two approaches to perform stereo motion tracking typically employ complicated and computationally expensive procedures. The purpose of this study is to create a simple and effective solution capable of combining the two approaches. The study aims to explore a strategy to combine the two techniques of two-dimensional motion tracking using Kalman Filter; and depth detection of object using Stereo Vision. In conventional approaches objects in the scene of interest are observed using a single camera. However for Stereo Motion Tracking; the scene of interest is observed using video feeds from two calibrated cameras. Using two simultaneous measurements from the two cameras a calculation for the depth of the object from the plane containing the cameras is made. The approach attempts to capture the entire three-dimensional spatial information of each object at the scene and represent it through a software estimator object. In discrete intervals, the estimator tracks object motion in the plane parallel to plane containing cameras and updates the perpendicular distance value of the object from the plane containing the cameras as depth. The ability to efficiently track the motion of objects in three-dimensional space using a simplified approach could prove to be an indispensable tool in a variety of surveillance scenarios. The approach may find application from high security surveillance scenes such as premises of bank vaults, prisons or other detention facilities; to low cost applications in supermarkets and car parking lots.

Keywords: kalman filter, stereo vision, motion tracking, matlab, object tracking, camera calibration, computer vision system toolbox

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Authors: Gaoyuan Wang, Tian Chen

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China’s emission peak and carbon neutrality strategies lead to the transformation of development patterns and call for new green urban design thinking. This paper begins by revealing the evolution of green urban design thinking during the periods of carbon enlightenment, carbon dependency, and carbon decoupling from the perspective of the energy transition. Combined with the current energy situation, national strengths, and technological trends, the emergence of green urban design towards carbon neutrality becomes inevitable. Based on the preliminary analysis of its connotation, the characteristics of the new type of green urban design are generalized as low-carbon orientation, carbon-related objects, carbon-reduction means, and carbon-control patterns. Its theory is briefly clarified in terms of the human-earth synergism, quality-energy interconnection, and form-flow interpromotion. Then, its mechanism is analyzed combined with the core tasks of carbon neutrality, and the scope of design issues is defined, including carbon flow mapping, carbon source regulation, carbon sink construction, and carbon emission management. Finally, a multi-scale spatial response system is proposed across the region, city, cluster, and neighborhood level. The discussion aims to provide support for the innovation of green urban design theories and methods in the context of peak neutrality.

Keywords: carbon neutrality, green urban design, energy transition, theoretical exploration

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