Search results for: two dimensional van der Waals crystal

Authors: Ritu Vashistha, Jitender Kumar

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Clustering using the K-means algorithm is a very common way to understand and analyze the obtained output data. When a similar object is grouped, this is called the basis of Clustering. There is K number of objects and C number of cluster in to single cluster in which k is always supposed to be less than C having each cluster to be its own centroid but the major problem is how is identify the cluster is correct based on the data. Formulation of the cluster is not a regular task for every tuple of row record or entity but it is done by an iterative process. Each and every record, tuple, entity is checked and examined and similarity dissimilarity is examined. So this iterative process seems to be very lengthy and unable to give optimal output for the cluster and time taken to find the cluster. To overcome the drawback challenge, we are proposing a formula to find the clusters at the run time, so this approach can give us optimal results. The proposed approach uses the Euclidian distance formula as well melanosis to find the minimum distance between slots as technically we called clusters and the same approach we have also applied to Ant Colony Optimization(ACO) algorithm, which results in the production of two and multi-dimensional matrix.

Keywords: ant colony optimization, data clustering, centroids, data mining, k-means

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Authors: Ramon Alberto Paredes Camacho, Li Lu

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Sustainable batteries are possible through the development of cheaper and greener alternatives whose most feasible option is epitomized by Sodium-Ion Batteries (SIB). Na₃V₂(PO₄)₂F₃ (NVPF) an important member of the Na-superionic-conductor (NASICON) materials, has recently been in the spotlight due to its interesting electrochemical properties when used as cathode namely, high specific capacity of 128 mA h g-¹, high energy density of 507 W h Kg-¹, increased working potential at which vanadium redox couples can be activated (with an average value around 3.9 V), and small volume variation of less than 2%. These traits grant NVPF an excellent perspective as a cathode material for the next generation of sodium batteries. Unfortunately, because of its low inherent electrical conductivity and a high energy barrier that impedes the mobilization of all the available Na ions per formula, the overall electrochemical performance suffers substantial degradation, finally obstructing its industrial use. Many approaches have been developed to remediate these issues where nanostructural design, carbon coating, and ion doping are the most effective ones. This investigation is focused on enhancing the electrochemical response of NVPF by doping metal ions in the crystal lattice, substituting vanadium atoms. A facile sol-gel process is employed, with citric acid as the chelator and the carbon source. The optimized conditions circumvent fluorine sublimation, ratifying the material’s purity. One of the reasons behind the large ionic improvement is the attraction of extra Na ions into the crystalline structure due to a charge imbalance produced by the valence of the doped ions (+2), which is lower than the one of vanadium (+3). Superior stability (higher than 90% at a current density of 20C) and capacity retention at an extremely high current density of 50C are demonstrated by our doped NVPF. This material continues to retain high capacity values at low and high temperatures. In addition, full cell NVPF//Hard Carbon shows capacity values and high stability at -20 and 60ºC. Our doping strategy proves to significantly increase the ionic and electronic conductivity of NVPF even at extreme conditions, delivering outstanding electrochemical performance and paving the way for advanced high-potential cathode materials.

Keywords: sodium-ion batteries, cathode materials, NASICON, Na3V2(PO4)2F3, Ion doping

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Authors: Mohamed Hafid, Marcel Lacroix

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This study aimed at developing an inverse heat transfer approach for predicting the time-varying freezing front and the temperature distribution of tumors during cryosurgery. Using a temperature probe pressed against the layer of tumor, the inverse approach is able to predict simultaneously the metabolic heat generation and the blood perfusion rate of the tumor. Once these parameters are predicted, the temperature-field and time-varying freezing fronts are determined with the direct model. The direct model rests on one-dimensional Pennes bioheat equation. The phase change problem is handled with the enthalpy method. The Levenberg-Marquardt Method (LMM) combined to the Broyden Method (BM) is used to solve the inverse model. The effect (a) of the thermal properties of the diseased tissues; (b) of the initial guesses for the unknown thermal properties; (c) of the data capture frequency; and (d) of the noise on the recorded temperatures is examined. It is shown that the proposed inverse approach remains accurate for all the cases investigated.

Keywords: cryosurgery, inverse heat transfer, Levenberg-Marquardt method, thermal properties, Pennes model, enthalpy method

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Authors: Ainura Tursunalieva, Irene Hudson

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Continuous improvement of both the quality and safety of health care is an important goal in Australia and internationally. The intensive care unit (ICU) receives patients with a wide variety of and severity of illnesses. Accurately identifying patients at risk of developing complications or dying is crucial to increasing healthcare efficiency. Thus, it is essential for clinicians and researchers to have a robust framework capable of evaluating the risk profile of a patient. ICU scoring systems provide such a framework. The Acute Physiology and Chronic Health Evaluation III and the Simplified Acute Physiology Score II are ICU scoring systems frequently used for assessing the severity of acute illness. These scoring systems collect multiple risk factors for each patient including physiological measurements then render the assessment outcomes of individual risk factors into a single numerical value. A higher score is related to a more severe patient condition. Furthermore, the Mortality Probability Model II uses logistic regression based on independent risk factors to predict a patient’s probability of mortality. An important overlooked limitation of SAPS II and MPM II is that they do not, to date, include interaction terms between a patient’s vital signs. This is a prominent oversight as it is likely there is an interplay among vital signs. The co-existence of certain conditions may pose a greater health risk than when these conditions exist independently. One barrier to including such interaction terms in predictive models is the dimensionality issue as it becomes difficult to use variable selection. We propose an innovative scoring system which takes into account a dependence structure among patient’s vital signs, such as systolic and diastolic blood pressures, heart rate, pulse interval, and peripheral oxygen saturation. Copulas will capture the dependence among normally distributed and skewed variables as some of the vital sign distributions are skewed. The estimated dependence parameter will then be incorporated into the traditional scoring systems to adjust the points allocated for the individual vital sign measurements. The same dependence parameter will also be used to create an alternative copula-based model for predicting a patient’s probability of mortality. The new copula-based approach will accommodate not only a patient’s trajectories of vital signs but also the joint dependence probabilities among the vital signs. We hypothesise that this approach will produce more stable assessments and lead to more time efficient and accurate predictions. We will use two data sets: (1) 250 ICU patients admitted once to the Chui Regional Hospital (Kyrgyzstan) and (2) 37 ICU patients’ agitation-sedation profiles collected by the Hunter Medical Research Institute (Australia). Both the traditional scoring approach and our copula-based approach will be evaluated using the Brier score to indicate overall model performance, the concordance (or c) statistic to indicate the discriminative ability (or area under the receiver operating characteristic (ROC) curve), and goodness-of-fit statistics for calibration. We will also report discrimination and calibration values and establish visualization of the copulas and high dimensional regions of risk interrelating two or three vital signs in so-called higher dimensional ROCs.

Keywords: copula, intensive unit scoring system, ROC curves, vital sign dependence

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Authors: Israa Al-Neami, Ali J. Al-Askery, Martin Johnston, Charalampos Tsimenidis

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In this paper, we focus on the design of a multi-line copper wire (MLCW) communication system. First, we construct our proposed MLCW channel and verify its characteristics based on the Kolmogorov-Smirnov test. In addition, we apply Middleton class A impulsive noise (IN) to the copper channel for further investigation. Second, the MIMO G.fast system is adopted utilizing the proposed MLCW channel model and is compared to a single line G-fast system. Second, the performance of the coded system is obtained utilizing concatenated interleaved Reed-Solomon (RS) code with four-dimensional trellis-coded modulation (4D TCM), and compared to the single line G-fast system. Simulations are obtained for high quadrature amplitude modulation (QAM) constellations that are commonly used with G-fast communications, the results demonstrate that the bit error rate (BER) performance of the coded MLCW system shows an improvement compared to the single line G-fast systems.

Keywords: G.fast, Middleton Class A impulsive noise, mitigation techniques, Copper channel model

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Authors: A. Kaćunić, M. Ćosić, N. Kuzmanić

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Interaction between mixing and crystallization is often ignored despite the fact that it affects almost every aspect of the operation including nucleation, growth, and maintenance of the crystal slurry. This is especially pronounced in multiple impeller systems where flow complexity is increased. By choosing proper mixing parameters, what closely depends on the knowledge of the hydrodynamics in a mixing vessel, the process of batch cooling crystallization may considerably be improved. The values that render useful information when making this choice are mixing time and power consumption. The predominant motivation for this work was to investigate the extent to which radial dual impeller configuration influences mixing time, power consumption and consequently the values of metastable zone width and nucleation rate. In this research, crystallization of borax was conducted in a 15 dm3 baffled batch cooling crystallizer with an aspect ratio (H/T) of 1.3. Mixing was performed using two straight blade turbines (4-SBT) mounted on the same shaft that generated radial fluid flow. Experiments were conducted at different values of N/NJS ratio (impeller speed/ minimum impeller speed for complete suspension), D/T ratio (impeller diameter/crystallizer diameter), c/D ratio (lower impeller off-bottom clearance/impeller diameter), and s/D ratio (spacing between impellers/impeller diameter). Mother liquor was saturated at 30°C and was cooled at the rate of 6°C/h. Its concentration was monitored in line by Na-ion selective electrode. From the values of supersaturation that was monitored continuously over process time, it was possible to determine the metastable zone width and subsequently the nucleation rate using the Mersmann’s nucleation criterion. For all applied dual impeller configurations, the mixing time was determined by potentiometric method using a pulse technique, while the power consumption was determined using a torque meter produced by Himmelstein & Co. Results obtained in this investigation show that dual impeller configuration significantly influences the values of mixing time, power consumption as well as the metastable zone width and nucleation rate. A special attention should be addressed to the impeller spacing considering the flow interaction that could be more or less pronounced depending on the spacing value.

Keywords: dual impeller crystallizer, mixing time, power consumption, metastable zone width, nucleation rate

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Authors: Mor Diama L. O., Matthieu Davy, Laurent Ferro-Famil

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In this article, inverse synthetic aperture radar (ISAR) is combined with compressive imaging techniques in order to perform 3D interferometric imaging. Interferometric ISAR (InISAR) imaging relies on a two-dimensional antenna array providing diversities in the elevation and azimuth directions. However, the signals measured over several antennas must be acquired by coherent receivers resulting in costly and complex hardware. This paper proposes to use a chaotic cavity as a compressive device to encode the signals arising from several antennas into a single output port. These signals are then reconstructed by solving an inverse problem. Our approach is demonstrated experimentally with a 3-elements L-shape array connected to a metallic compressive enclosure. The interferometric phases estimated from a unique broadband signal are used to jointly estimate the target’s effective rotation rate and the height of the dominant scattering centers of our target. Our experimental results show that the use of the compressive device does not adversely affect the performance of our imaging process. This study opens new perspectives to reduce the hardware complexity of high-resolution ISAR systems.

Keywords: interferometric imaging, inverse synthetic aperture radar, compressive device, computational imaging

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Authors: Atlal El-Assaad

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Viruses change with time through mutations and result in new variants that may persist or disappear. A Mutation refers to an actual change in the virus genetic sequence, and a variant is a viral genome that may contain one or more mutations. Critical mutations may cause the virus to be more transmissible, with high disease severity, and more vulnerable to diagnostics, therapeutics, and vaccines. Thus, variants carrying such mutations may increase the risk to human health and are considered variants of concern (VOC). Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) - the contagious in humans, positive-sense single-stranded RNA virus that caused coronavirus disease 2019 (COVID-19) - has been studied thoroughly, and several variants were revealed across the world with their corresponding mutations. SARS-CoV-2 has four structural proteins, known as the S (spike), E (envelope), M (membrane), and N (nucleocapsid) proteins, but prior study and vaccines development focused on genetic mutations in the S protein due to its vital role in allowing the virus to attach and fuse with the membrane of a host cell. Specifically, subunit S1 catalyzes attachment, whereas subunit S2 mediates fusion. In this perspective, we studied all charged amino acid mutations of the SARS-CoV-2 viral spike protein S1 when bound to Antibody CC12.1 in a crystal structure and assessed the effect of different mutations. We generated all missense mutants of SARS-CoV-2 protein amino acids (AAs) within the SARS-CoV-2:CC12.1 complex model. To generate the family of mutants in each complex, we mutated every charged amino acid with all other charged amino acids (Lysine (K), Arginine (R), Glutamic Acid (E), and Aspartic Acid (D)) and studied the new binding of the complex after each mutation. We applied Poisson-Boltzmann electrostatic calculations feeding into free energy calculations to determine the effect of each mutation on binding. After analyzing our data, we identified charged amino acids keys for binding. Furthermore, we validated those findings against published experimental genetic data. Our results are the first to propose in silico potential life-threatening mutations of SARS-CoV-2 beyond the present mutations found in the five common variants found worldwide.

Keywords: SARS-CoV-2, variant, ionic amino acid, protein-protein interactions, missense mutation, AESOP

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Authors: Benselama Khadidja, El Meiche Noureddine

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This paper presents the effect of hybridization material on the variation of non-dimensional critical buckling load with different cross-ply laminates plate resting on elastic foundations of Winkler and Pasternak types subjected to combine uniaxial and biaxial loading by using two variable refined plate theories. Governing equations are derived from the Principle of Virtual Displacement; the formulation is based on a new function of shear deformation theory taking into account transverse shear deformation effects vary parabolically across the thickness satisfying shear stress-free surface conditions. These equations are solved analytically using the Navier solution of a simply supported. The influence of the various parameters geometric and material, the thickness ratio, and the number of layers symmetric and antisymmetric hybrid laminates material has been investigated to find the critical buckling loads. The numerical results obtained through the present study with several examples are presented to verify and compared with other models with the ones available in the literature.

Keywords: buckling, hybrid cross-ply laminates, Winkler and Pasternak, elastic foundation, two variables plate theory

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Authors: Arup Kumar Sarma, Rohan Kar

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The development of physical model of River like Brahmaputra, which finds its origin in the Chema Yundung glacier of Tibet and flows through India and Bangladesh, is always expensive and very much time consuming. With the advancement of computational technique, mathematical modeling has found wide application. MIKE 21C is one such commercial software, developed by Danish Hydraulic Institute (DHI), with the depth-averaged approach and a two-dimensional curvilinear finite-difference model, which is capable of modeling hydrodynamic and morphological processes with some limitations. The main purpose of this study are to generate bathymetry of the River Brahmaputra starting from “Sadia” at upstream to “Dhubri,” at downstream stretching a distance of approximately 695 km, for four different years: 1957, 1971, 1977, and 1981 over the grid generated in the MIKE 21C and to carry out the hydrodynamic simulation for these years to analyze the effect of bathymetry change on the surface water elevation. The study has established that bathymetric change can influence the flood level significantly in some of the river reaches and therefore the modification or updating of regular bathymetry is very much essential for the reliable flood routing in alluvial rivers.

Keywords: bathymetry, brahmaputra river, hydrodynamic model, surface water elevation

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Authors: Mohannad N. H. Al-Malichi

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Because of its exceptional properties, graphene has become the most promising nanomaterial for the development of a new generation of advanced materials from battery electrodes to structural composites. However, current methods to meet requirements for the mass production of high-quality graphene are limited by harsh oxidation, high temperatures, and tedious processing steps. To extend the scope of the bulk production of graphene, herein, a facile, reproducible and cost-effective approach has been developed. This involved heating a specific mixture of chemical materials at an extremely low temperature (70 C) for a short period (7 minutes) to exfoliate functionalized graphene platelets with high structural integrity. The obtained graphene platelets have an average thickness of 3.86±0.71 nm and a lateral size less than ~2 µm with a low defect intensity ID/IG ~0.06. The thin film (~2 µm thick) exhibited a low surface resistance of ~0.63 Ω/sq⁻¹, confirming its high electrical conductivity. Additionally, these nanoplatelets were decorated with polar functional groups (epoxy and carboxyl groups), thus have the potential to toughen and provide multifunctional polymer nanocomposites. Moreover, such a simple method can be further exploited for the novel exfoliation of other layered two-dimensional materials such as MXenes.

Keywords: functionalized graphene nanoplatelets, high structural integrity graphene, low temperature exfoliation of graphene, functional graphene platelets

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Authors: M. Pomianek, M. Piszczek, M. Maciejewski

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The binocular eye tracking technology is increasingly being used in industry, entertainment and marketing analysis. In the case of virtual reality, eye tracking systems are already the basis for user interaction with the environment. In such systems, the high accuracy of determining the user's eye fixation point is very important due to the specificity of the virtual reality head-mounted display (HMD). Often, however, there are unknown errors occurring in the used eye tracking technology, as well as those resulting from the positioning of the devices in relation to the user's eyes. However, can the virtual environment itself influence estimation errors? The paper presents mathematical analyses and empirical studies of the determination of the fixation point and errors resulting from the change in the size of the pupil in response to the intensity of the displayed scene. The article contains both static laboratory tests as well as on the real user. Based on the research results, optimization solutions were proposed that would reduce the errors of gaze estimation errors. Studies show that errors in estimating the fixation point of vision can be minimized both by improving the pupil positioning algorithm in the video image and by using more precise methods to calibrate the eye tracking system in three-dimensional space.

Keywords: eye tracking, fixation point, pupil size, virtual reality

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Authors: Sirine Sayed, Mahrez Ait Mohammed, Mourad Nachtane, Abdelwahed Barkaoui, Khalid Bouziane, Mostapha Tarfaoui

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This study addresses a critical challenge in transitioning to a hydrogen-based economy by introducing and validating a one-dimensional (1D) tool for modelling hydrogen permeability through hybrid materials, focusing on tank applications. The model developed integrates rigorous experimental validation, published data, and advanced computational modelling using the PanDiffusion framework, significantly enhancing its validity and applicability. By elucidating complex interactions between material properties, storage system configurations, and operational parameters, the tool demonstrates its capability to optimize design and operational parameters in real-world scenarios, as illustrated through a case study of hydrogen leakage. This comprehensive approach to assessing hydrogen permeability contributes significantly to overcoming key barriers in hydrogen infrastructure development, potentially accelerating the widespread adoption of hydrogen technology across various industrial sectors and marking a crucial step towards a more sustainable energy future.

Keywords: hydrogen storage, composite tank, permeability modelling, PanDiffusion, energy carrier, transportation technology

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Authors: R. B. Adegbola, K. F. Oyedele, L. Adeoti

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We present a method that utilizes Multi-channel Analysis of Surface Waves, which was used to measure shear wave velocities with a view to establishing the probable causes of road failure, subsidence and weakening of structures in some Local Government Area, Lagos, Nigeria. Multi channel Analysis of Surface waves (MASW) data were acquired using 24-channel seismograph. The acquired data were processed and transformed into two-dimensional (2-D) structure reflective of depth and surface wave velocity distribution within a depth of 0–15m beneath the surface using SURFSEIS software. The shear wave velocity data were compared with other geophysical/borehole data that were acquired along the same profile. The comparison and correlation illustrates the accuracy and consistency of MASW derived-shear wave velocity profiles. Rigidity modulus and N-value were also generated. The study showed that the low velocity/very low velocity are reflective of organic clay/peat materials and thus likely responsible for the failed, subsidence/weakening of structures within the study areas.

Keywords: seismograph, road failure, rigidity modulus, N-value, subsidence

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Authors: Benedict Okundaye, Patricia Tzortzopoulos, Yun Gao

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Scholars and international organisations have contended that developing nations lack the technical expertise, infrastructure, and ability to cope with or prepare for the neighbourhood’s sustainable development as Sustainable Development Goals, mainly targeting goal 11 unimpressive accomplishments. Both wealthy and impoverished communities are facing increasing issues due to rapid urbanisation and pandemics, particularly in Africa. The global neighbourhood challenges, especially in developing countries such as South Africa, include pollution poverty, energy poverty, digital poverty, environmental degradation, social exclusion, and socioeconomic inequalities. With the problematic international sustainability assessment tools lingering, few researchers have produced frameworks to engage the local contexts, but improvements are still required. This research anchors on developing a people-centred, flexible, and adaptable neighbourhood sustainability assessment framework that becomes a tool to assess the characteristics of neighbourhood sustainability in South Africa. The conceptual framework employs a variety of approaches, including broader dimensional factors, a closed-ended questionnaire, and statistical analysis to improve on and complement other existing frameworks.

Keywords: participation, development, inclusion, urbanism, cities, resilience

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Authors: Neel K. Shah

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Wind tunnel tests have been performed at The University of Manchester to investigate the impact of surface grooves of a trapezoidal planform on flow separation on a symmetrical aerofoil. A spanwise array of the grooves has been applied around the maximum thickness location of the upper surface of an NACA-0015 aerofoil. The aerofoil has been tested in a two-dimensional set-up in a low-speed wind tunnel at an angle of attack (AoA) of 3° and a chord-based Reynolds number (Re) of ~2.7 x 105. A laminar separation bubble developed on the aerofoil at low AoA. It has been found that the grooves shorten the streamwise extent of the separation bubble by shedding a pair of counter-rotating vortices. However, the increase in leading-edge suction due to the shorter bubble is not significant since the creation of the grooves results in a decrease of surface curvature and an increase in blockage (increase in surface pressure). Additionally, the increased flow mixing by the grooves thickens the boundary layer near the trailing edge of the aerofoil also contributes to this limitation. As a result of these competing effects, the improvement in the pressure-lift and pressure-drag coefficients are small, i.e., by ~1.30% and ~0.30%, respectively, at 3° AoA. Crosswire anemometry shows that the grooves increase turbulence intensity and Reynolds stresses in the wake, thus indicating an increase in viscous drag.

Keywords: aerofoil flow control, flow separation, grooves, vortices

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Authors: Ying Yu, Wen-Chi Kuo, Tung-Jung Sung

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The Product-Service System (PSS) has received widespread attention due to the increasing global competition in manufacturing and service markets. Today’s smart products and services are driven by Internet of things (IoT) technologies which will promote the transformation from traditional PSS to smart PSS. Although the smart PSS has some of technological achievements in businesses, it often ignores the real demands of target users when using products and services. Therefore, designers should know and learn the User Experience (UX) of smart products, services and systems. However, both of academia and industry still lack relevant development experience of smart PSS since it is an emerging field. In doing so, this is a case study of Xiaomi’s Chunmi, the largest IoT platform in the world, and addresses the two major issues: (1) why Chunmi should develop smart PSS strategies with UX; and (2) how Chunmi could successfully implement the strategic objectives of smart PSS through the design. The case study results indicated that: (1) the smart PSS can distinguish competitors by their unique UX which is difficult to duplicate; (2) early user engagement is crucial for the success of smart PSS; and (3) interaction, expectation, and enjoyment can be treated as a three-dimensional evaluation of UX design for smart PSS innovation. In conclusion, the smart PSS can gain competitive advantages through good UX design in the market.

Keywords: design, smart PSS, user experience, user engagement

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Authors: Yue-Tzu Yang, Hsiang-Wen Tang, Jian-Zhang Yin, Chao-Han Wu

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Three-dimensional incompressible turbulent fluid flow and heat transfer of pin fin heat sinks using air as a cooling fluid are numerically studied in this study. Two different kinds of pin fins are compared in the thermal performance, including circular and square cross sections, both are in-line and staggered arrangements. The turbulent governing equations are solved using a control-volume- based finite-difference method. Subsequently, numerical computations are performed with the realizable k - ԑ turbulence for the parameters studied, the fin height H, fin diameter D, and Reynolds number (Re) in the range of 7 ≤ H ≤ 10, 0.75 ≤ D ≤ 2, 2000 ≤ Re ≤ 126000 respectively. The numerical results are validated with available experimental data in the literature and good agreement has been found. It indicates that circular pin fins are streamlined in comparing with the square pin fins, the pressure drop is small than that of square pin fins, and heat transfer is not as good as the square pin fins. The thermal performance of the staggered pin fins is better than that of in-line pin fins because the staggered arrangements produce large disturbance. Both in-line and staggered arrangements show the same behavior for thermal resistance, pressure drop, and the entropy generation.

Keywords: pin-fin, heat sinks, simulations, turbulent flow

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Authors: Shiying Fan, Xinyong Li

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The development of highly efficient multifunctional catalytic materials towards HER, ORR and Photo-fuel cell applications in terms of combined electrochemical and photo-electrochemical principles have currently confronted with dire challenges. In this study, novel palladium (Pd) and ruthenium (Ru) Bimetal Quantum Dots (BQDs) co-anchored on Titania nanotube (NTs) arrays electrodes have been successfully constructed by facial two-step electrochemical strategy. Double Schottky junctions with superior performance in electrocatalytic (EC) hydrogen generations and solar fuel cell energy conversions (PE) have been found. Various physicochemical techniques including UV-vis spectroscopy, TEM/EDX/HRTEM, SPV/TRV and electro-chemical strategy including EIS, C-V, I-V, and I-T, etc. were chronically utilized to systematically characterize the crystal-, electronic and micro-interfacial structures of the composites with double Schottky junction, respectively. The characterizations have implied that the marvelous enhancement of separation efficiency of electron-hole pairs generations is mainly caused by the Schottky-barriers within the nanocomposites, which would greatly facilitate the interfacial charge transfer for H₂ generations and solar fuel cell energy conversions. Moreover, the DFT calculations clearly indicated that the oriented growth of Ru and Pd bimetal atoms at the anatase (101) surface is mainly driven by the interaction between Ru/Pd and surface atoms, and the most active site for bimetal Ru and Pd adatoms on the perfect TiO₂ (101) surface is the 2cO-6cTi-3cO bridge sites and the 2cO-bridge sites with the highest adsorption energy of 9.17 eV. Furthermore, the electronic calculations show that in the nanocomposites, the number of impurity (i.e., co-anchored Ru-Pd BQDs) energy levels near Fermi surface increased and some were overlapped with original energy level, promoting electron energy transition and reduces the band gap. Therefore, this work shall provide a deeper insight for the molecular design of Bimetal Quantum Dots (BQDs) assembled onto Tatiana NTs composites with superior performance for electrocatalytic hydrogen productions and solar fuel cell energy conversions (PE) simultaneously.

Keywords: eletrocatalytic, Ru-Pd bimetallic quantum dots, titania nanotube arrays, double Schottky junctions, hydrogen production

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Authors: Y. Rae, A. Benaarbia, J. Hughes, Wei Sun

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This paper describes an elasto-visco-plastic computational modelling method which can be used to assess the cyclic plasticity responses of high temperature structures operating under thermo-mechanical loadings. The material constitutive equation used is an improved unified multi-axial Chaboche-Lemaitre model, which takes into account non-linear kinematic and isotropic hardening. The computational methodology is a three-dimensional framework following an implicit formulation and based on a radial return mapping algorithm. The associated user material (UMAT) code is developed and calibrated across isothermal hold-time low cycle fatigue tests for a typical turbine rotor steel for use in finite element (FE) implementation. The model is applied to a realistic industrial gas turbine rotor, where the study focuses its attention on the deformation heterogeneities and critical high stress areas within the rotor structure. The potential improvements of such FE visco-plastic approach are discussed. An integrated life assessment procedure based on R5 and visco-plasticity modelling, is also briefly addressed.

Keywords: unified visco-plasticity, thermo-mechanical, turbine rotor, finite element modelling

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Authors: Pooya Niksiar, Ali Ashrafizadeh, Mehrzad Shams, Amir Hossein Madani

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There are many computationally demanding applications in science and engineering which need efficient algorithms implemented on high performance computers. Recently, Graphics Processing Units (GPUs) have drawn much attention as compared to the traditional CPU-based hardware and have opened up new improvement venues in scientific computing. One particular application area is Computational Fluid Dynamics (CFD), in which mature CPU-based codes need to be converted to GPU-based algorithms to take advantage of this new technology. In this paper, numerical solutions of two classes of discrete fluid flow models via both CPU and GPU are discussed and compared. Test problems include an Eulerian model of a two-dimensional incompressible laminar flow case and a Lagrangian model of a two phase flow field. The CUDA programming standard is used to employ an NVIDIA GPU with 480 cores and a C++ serial code is run on a single core Intel quad-core CPU. Up to two orders of magnitude speed up is observed on GPU for a certain range of grid resolution or particle numbers. As expected, Lagrangian formulation is better suited for parallel computations on GPU although Eulerian formulation represents significant speed up too.

Keywords: CFD, Eulerian formulation, graphics processing units, Lagrangian formulation

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Authors: Vimal Kumar Chouksey, S. P. Sharma

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This paper deals with theoretical analysis of performance of solar air collector having its duct packed with blackened wire screen matrices. The heat transfer equations for two-dimensional fully developed fluid flows under quasi-steady-state conditions have been developed in order to analyze the effect of bed depth on performance. A computer programme is developed in C++ language to estimate the temperature rise of entering air for evaluation of performance by solving the governing equations numerically using relevant correlations for heat transfer coefficient for packed bed systems. Results of air temperature rise and thermal efficiency obtained from the analysis have been compared with available experimental results and results have been found fairly in closed agreement. It has been found that there is considerable enhancement in performance with packed bed collector upto a certain total bed depth. Effect of total bed depth on efficiency show that there is an upper limiting value of total bed depth beyond which the thermal efficiency begins to fall again and this type of characteristics behavior is observed at all mass flow rate.

Keywords: plane collector, solar air heater, solar energy, wire screen packed bed

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Authors: Fatemah A. Alqallaf, Debasis Kundu

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The aim of this paper is to introduce a bivariate inverse generalized exponential distribution which has a singular component. The proposed bivariate distribution can be used when the marginals have heavy-tailed distributions, and they have non-monotone hazard functions. Due to the presence of the singular component, it can be used quite effectively when there are ties in the data. Since it has four parameters, it is a very flexible bivariate distribution, and it can be used quite effectively for analyzing various bivariate data sets. Several dependency properties and dependency measures have been obtained. The maximum likelihood estimators cannot be obtained in closed form, and it involves solving a four-dimensional optimization problem. To avoid that, we have proposed to use an EM algorithm, and it involves solving only one non-linear equation at each `E'-step. Hence, the implementation of the proposed EM algorithm is very straight forward in practice. Extensive simulation experiments and the analysis of one data set have been performed. We have observed that the proposed bivariate inverse generalized exponential distribution can be used for modeling dependent competing risks data. One data set has been analyzed to show the effectiveness of the proposed model.

Keywords: Block and Basu bivariate distributions, competing risks, EM algorithm, Marshall-Olkin bivariate exponential distribution, maximum likelihood estimators

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Authors: Ana Beatriz C. G. Silva, Luiz Carlos Wrobel, Fernando Luiz B. Ribeiro

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This paper presents a thermoregulation model using the finite element method to perform numerical analyses of brain cooling procedures as a contribution to the investigation on the use of therapeutic hypothermia after ischemia in adults. The use of computational methods can aid clinicians to observe body temperature using different cooling methods without the need of invasive techniques, and can thus be a valuable tool to assist clinical trials simulating different cooling options that can be used for treatment. In this work, we developed a FEM package applied to the solution of the continuum bioheat Pennes equation. Blood temperature changes were considered using a blood pool approach and a lumped analysis for intravascular catheter method of blood cooling. Some analyses are performed using a three-dimensional mesh based on a complex geometry obtained from computed tomography medical images, considering a cooling blanket and a intravascular catheter. A comparison is made between the results obtained and the effects of each case in brain temperature reduction in a required time, maintenance of body temperature at moderate hypothermia levels and gradual rewarming.

Keywords: brain cooling, finite element method, hypothermia treatment, thermoregulation

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Authors: Belkacem Chebil Sonia, Bensalem Wacef

Abstract:

The majority of ball end milling models includes only the influence of cutting parameters (cutting speed, feed rate, depth of cut). Furthermore, this influence is studied in most of works on cutting force. Therefore, this study proposes an accurate ball end milling process modeling which includes also the influence of tool workpiece inclination. In addition, a characterization of residual stresses resulting of thermo mechanical loading in the workpiece was also presented. Moreover, the study of the influence of tool workpiece inclination and cutting parameters was made on residual stresses distribution. In order to achieve the predetermination of cutting forces and residual stresses during a milling operation, a thermo mechanical three-dimensional numerical model of ball end milling was developed. Furthermore, an experimental companion of ball end milling tests was realized on a 5-axis machining center to determine the cutting forces and characterize the residual stresses. The simulation results are compared with the experiment to validate the Finite Element Model and subsequently identify the optimum inclination angle and cutting parameters.

Keywords: ball end milling, cutting forces, cutting parameters, residual stress, tool-workpiece inclination

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Authors: Al-Braa Kashegari, Ali M. El-Halawany, Akram A. Shalabi, Sabrin R. M. Ibrahim, Hossam M. Abdallah

Abstract:

Chemical investigation of Chrozophora oblongifolia resulted in the isolation of five major compounds that were identified as apeginin-7-O-glucoside (1), quercetin-3-O-glucuronic acid (2), quercetin-3-O-glacturonic acid (3), rutin (4), and 1,3,6-trigalloyl glucose (5). The identity of isolated compounds was assessed by different spectroscopic methods, including one- and two-dimensional NMR. The isolated compounds were tested for their antioxidant activity using different assays viz., DPPH, FRAP, ABTS, ORAC, and metal chelation effects. In addition, the inhibition of target enzymes involved in the metabolic syndrome, such as alpha-glucosidase and pancreatic lipase, were carried out. Moreover, the effect of the compounds on the advanced glycation end-products (AGEs) as one of the major complications of oxidative stress and hyperglycemia in metabolic syndromes were carried out using BSA‐fructose (bovine serum albumin), BSA-methylglyoxal, and arginine methylglyoxal models. The pure isolates showed a protective effect in metabolic syndromes as well as promising antioxidant activity. The results showed potent activity of compound 5 in all measured parameters meanwhile, none of the tested compounds showed activity against pancreatic lipase.

Keywords: Chrozophora oblongifolia, antioxidant, pancreatic lipase, metabolic syndromes

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Authors: Qingqing Gai, Junxing Shen, Yu Luo

Abstract:

Due to the hardware architecture characteristics, some operators tend to acquire better performance if the input/output tensor dimensions are aligned to a certain minimum granularity, such as convolution and deconvolution commonly used in deep learning. Furthermore, if the requirements are not met, the general strategy is to pad with 0 to satisfy the requirements, potentially leading to the under-utilization of the hardware resources. Therefore, for the convolution and deconvolution whose input and output channels do not meet the minimum granularity alignment, we propose to transfer the W-dimensional data to the C-dimension for computation (W2C) to enable the C-dimension to meet the hardware requirements. This scheme also reduces the number of computations in the W-dimension. Although this scheme substantially increases computation, the operator’s speed can improve significantly. It achieves remarkable speedups on multiple hardware accelerators, including Nvidia Tensor cores, Qualcomm digital signal processors (DSPs), and Huawei neural processing units (NPUs). All you need to do is modify the network structure and rearrange the operator weights offline without retraining. At the same time, for some operators, such as the Reducemax, we observe that transferring the Cdimensional data to the W-dimension(C2W) and replacing the Reducemax with the Maxpool can accomplish acceleration under certain circumstances.

Keywords: convolution, deconvolution, W2C, C2W, alignment, hardware accelerator

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Authors: Naren Bag, S. Bhattacharyya, Partha P. Gopmandal

Abstract:

In this study, we have analyzed the transport of analytes under a two dimensional steady incompressible flow of power-law fluids through rectangular nanochannel. A mathematical model based on the Cauchy momentum-Nernst-Planck-Poisson equations is considered to study the combined effect of mixed electroosmotic (EO) and pressure driven (PD) flow. The coupled governing equations are solved numerically by finite volume method. We have studied extensively the effect of key parameters, e.g., flow behavior index, concentration of the electrolyte, surface potential, imposed pressure gradient and imposed electric field strength on the net average flow across the channel. In addition to study the effect of mixed EOF and PD on the analyte distribution across the channel, we consider a nonlinear model based on general convective-diffusion-electromigration equation. We have also presented the retention factor for various values of electrolyte concentration and flow behavior index.

Keywords: electric double layer, finite volume method, flow behavior index, mixed electroosmotic/pressure driven flow, non-Newtonian power-law fluids, numerical simulation

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Authors: Omid Adibi, Nategheh Najafpour, Bijan Farhanieh, Hossein Afshin

Abstract:

Energy transmission pipelines are one of the most vital parts of each country which several strict laws have been conducted to enhance the safety of these lines and their vicinity. One of these laws is the safety distance around high pressure gas pipelines. Safety distance refers to the minimum distance from the pipeline where people and equipment do not confront with serious damages. In the present study, safety distance around high pressure gas transmission pipelines were determined by using numerical methods. For this purpose, gas leakages from cracked pipeline and created jet fires were simulated as continuous ignition, three dimensional, unsteady and turbulent cases. Numerical simulations were based on finite volume method and turbulence of flow was considered using k-ω SST model. Also, the combustion of natural gas and air mixture was applied using the eddy dissipation method. The results show that, due to the high pressure difference between pipeline and environment, flow chocks in the cracked area and velocity of the exhausted gas reaches to sound speed. Also, analysis of the incident radiation results shows that safety distances around 42 inches high pressure natural gas pipeline based on 5 and 15 kW/m² criteria are 205 and 272 meters, respectively.

Keywords: gas pipelines, incident radiation, numerical simulation, safety distance

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Authors: Julian Mehler, Marcus Fischer, Martin Hartmann, Peter S. Schulz

Abstract:

During the last two decades, the synthesis of metal-organic frameworks (MOFs) has gained ever increasing attention. Based on their pore size and shape as well as host-guest interactions, they are of interest for numerous fields related to porous materials, like catalysis and gas separation. Usually, MOF-synthesis takes place in an organic solvent between room temperature and approximately 220 °C, with mixtures of polyfunctional organic linker molecules and metal precursors as substrates. Reaction temperatures above the boiling point of the solvent, i.e. solvothermal reactions, are run in autoclaves or sealed glass vessels under autogenous pressures. A relatively new approach for the synthesis of MOFs is the so-called ionothermal synthesis route. It applies an ionic liquid as a solvent, which can serve as a structure-directing template and/or a charge-compensating agent in the final coordination polymer structure. Furthermore, this method often allows for less harsh reaction conditions than the solvothermal route. Here a variation of the ionothermal approach is reported, where the ionic liquid also serves as an organic linker source. By using 1-ethyl-3-methylimidazolium terephthalates ([EMIM][Hbdc] and [EMIM]₂[bdc]), the one-step synthesis of MIL-53(Al)/Boehemite composites with interesting features is possible. The resulting material is already formed at moderate temperatures (90-130 °C) and is stabilized in the usually unfavored ht-phase. Additionally, in contrast to already published procedures for MIL-53(Al) synthesis, no further activation at high temperatures is mandatory. A full characterization of this novel composite material is provided, including XRD, SS-NMR, El-Al., SEM as well as sorption measurements and its interesting features are compared to MIL-53(Al) samples produced by the classical solvothermal route. Furthermore, the syntheses of the applied ionic liquids and salts is discussed. The influence of the degree of ionicity of the linker source [EMIM]x[H(2-x)bdc] on the crystal structure and the achievable synthesis temperature are investigated and give insight into the role of the IL during synthesis. Aside from the synthesis of MIL-53 from EMIM terephthalates, the use of the phosphonium cation in this approach is discussed as well. Additionally, the employment of ILs in the preparation of other MOFs is presented briefly. This includes the ZIF-4 framework from the respective imidazolate ILs and chiral camphorate based frameworks from their imidazolium precursors.

Keywords: ionic liquids, ionothermal synthesis, material synthesis, MIL-53, MOFs

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