Search results for: fusion evaporation

Authors: M. Sari Yilmaz, N. Karamahmut Mermer

Abstract:

Coal fly ash is formed as a solid waste product from the combustion of coal in coal fired power stations. Huge amounts of fly ash are produced globally every year and are predicted to increase. Nowadays, less than half of the fly ash is used as a raw material for cement manufacturing, construction and the rest of it is disposed as a waste causing yet another environmental concern. For this reason, the recycling of this kind of slurries into useful materials is quite important in terms of economical and environmental aspects. The purpose of this study is to evaluate the Orhaneli and Tuncbilek coal fly ashes for utilization in some industrial applications. Therefore the mineralogical and chemical compositions of these fly ashes were analyzed by X-ray fluorescence spectroscopy, ourier-transform infrared spectrometer, and X-ray diffraction. The silicon (Si) and aluminum (Al) in the fly ashes were activated by alkali fusion technique with sodium hydroxide. The obtained extracts were analyzed for Si and Al content by inductively coupled plasma optical emission spectrometry.

Keywords: Extraction, Fly ash, Fusion, XRD.

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Authors: Jungho Choi, Youngwan Cho

Abstract:

This paper presents an algorithm for the recognition and tracking of moving objects, 1/10 scale model car is used to verify performance of the algorithm. Presented algorithm for the recognition and tracking of moving objects in the paper is as follows. SURF algorithm is merged with Lucas-Kanade algorithm. SURF algorithm has strong performance on contrast, size, rotation changes and it recognizes objects but it is slow due to many computational complexities. Processing speed of Lucas-Kanade algorithm is fast but the recognition of objects is impossible. Its optical flow compares the previous and current frames so that can track the movement of a pixel. The fusion algorithm is created in order to solve problems which occurred using the Kalman Filter to estimate the position and the accumulated error compensation algorithm was implemented. Kalman filter is used to create presented algorithm to complement problems that is occurred when fusion two algorithms. Kalman filter is used to estimate next location, compensate for the accumulated error. The resolution of the camera (Vision Sensor) is fixed to be 640x480. To verify the performance of the fusion algorithm, test is compared to SURF algorithm under three situations, driving straight, curve, and recognizing cars behind the obstacles. Situation similar to the actual is possible using a model vehicle. Proposed fusion algorithm showed superior performance and accuracy than the existing object recognition and tracking algorithms. We will improve the performance of the algorithm, so that you can experiment with the images of the actual road environment.

Keywords: SURF, Optical Flow Lucas-Kanade, Kalman Filter, object recognition, object tracking.

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Authors: S. Hma Salah, H. Du, N. Al-Jawad

Abstract:

Ethnicity identification of face images is of interest in many areas of application, but existing methods are few and limited. This paper presents a fusion scheme that uses block-based uniform local binary patterns and Haar wavelet transform to combine local and global features. In particular, the LL subband coefficients of the whole face are fused with the histograms of uniform local binary patterns from block partitions of the face. We applied the principal component analysis on the fused features and managed to reduce the dimensionality of the feature space from 536 down to around 15 without sacrificing too much accuracy. We have conducted a number of preliminary experiments using a collection of 746 subject face images. The test results show good accuracy and demonstrate the potential of fusing global and local features. The fusion approach is robust, making it easy to further improve the identification at both feature and score levels.

Keywords: Ethnicity identification, fusion, local binary patterns, wavelet.

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Authors: Boris Golman, Wittaya Julklang

Abstract:

The heat and mass transfer was investigated during the falling rate period of spray drying of a slurry droplet. The effect of the porosity of crust layer formed from primary particles during liquid evaporation was studied numerically using the developed mathematical model which takes into account the heat and mass transfer in the core and crust regions, the movement of the evaporation interface, and the external heat and mass transfer between the drying air and the droplet surface. It was confirmed that the heat transfer through the crust layer was more intense in the case of the dense droplet than the loose one due to the enhanced thermal conduction resulting in the higher average droplet temperature. The mass transfer was facilitated in the crust layer of loose droplet owing to the large pore space available for diffusion of water vapor from the evaporation interface to the outer droplet surface. The longer drying time is required for the droplet of high porosity to reach the final moisture content than that for the dense one due to the larger amount of water to be evaporated during the falling rate.

Keywords: Spray Drying, Slurry Droplet, Heat and Mass Transfer, Crust Layer Porosity, Mathematical Modeling.

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Authors: Kohei Inoue, Kenji Hara, Kiichi Urahama

Abstract:

We describe a relationship between integral images and differential images. First, we derive a simple difference filter from conventional integral image. In the derivation, we show that an integral image and the corresponding differential image are related to each other by simultaneous linear equations, where the numbers of unknowns and equations are the same, and therefore, we can execute the integration and differentiation by solving the simultaneous equations. We applied the relationship to an image fusion problem, and experimentally verified the effectiveness of the proposed method.

Keywords: Integral images, differential images, differential filters, image fusion.

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Authors: R. Andreola, O. A. A. Santos, L. M. M, Jorge

Abstract:

An industrial system for the production of white liquor of a paper industry, Klabin Paraná Papéis, formed by ten reactors was modeled, simulated, and analyzed. The developed model considered possible water losses by evaporation and reaction, in addition to variations in volumetric flow of lime mud across the reactors due to composition variations. The model predictions agreed well with the process measurements at the plant and the results showed that the slaking reaction is nearly complete at the third causticizing reactor, while causticizing ends by the seventh reactor. Water loss due to slaking reaction and evaporation occurs more pronouncedly in the slaking reaction than in the final causticizing reactors; nevertheless, the lime mud flow remains nearly constant across the reactors.

Keywords: Causticizing, lime, prediction, process.

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Authors: Martin Klaumünzer, Jakob Hübner, Denis Spitzer

Abstract:

Within this paper, latest results on processing of energetic nanomaterials by means of the Spray Flash Evaporation technique are presented. This technology constitutes a highly effective and continuous way to prepare fascinating materials on the nano- and micro-scale. Within the process, a solution is set under high pressure and sprayed into an evacuated atomization chamber. Subsequent ultrafast evaporation of the solvent leads to an aerosol stream, which is separated by cyclones or filters. No drying gas is required, so the present technique should not be confused with spray dying. Resulting nanothermites, insensitive explosives or propellants and compositions are foreseen to replace toxic (according to REACH) and very sensitive matter in military and civil applications. Diverse examples are given in detail: nano-RDX (n-Cyclotrimethylentrinitramin) and nano-aluminum based systems, mixtures (n-RDX/n-TNT - trinitrotoluene) or even cocrystalline matter like n-CL-20/HMX (Hexanitrohexaazaisowurtzitane/ Cyclotetra-methylentetranitramin). These nanomaterials show reduced sensitivity by trend without losing effectiveness and performance. An analytical study for material characterization was performed by using Atomic Force Microscopy, X-Ray Diffraction, and combined techniques as well as spectroscopic methods. As a matter of course, sensitivity tests regarding electrostatic discharge, impact, and friction are provided.

Keywords: Continuous synthesis, energetic material, nanoscale, nanothermite, nanoexplosive.

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Authors: Md. Sharif Imam Ibne Amir, Mohammad Masud Kamal khan, Mohammad Golam Rasul, Raj H Sharma, Fatema Akram

Abstract:

Future flood can be predicted using the probable maximum flood (PMF). PMF is calculated using the historical discharge or rainfall data considering the other climatic parameters remaining stationary. However climate is changing globally and the key climatic variables are temperature, evaporation, rainfall and sea level rise are likely to change. To develop scenarios to a basin or catchment scale these important climatic variables should be considered. Nowadays scenario based on climatic variables is more suitable than PMF. Six scenarios were developed for a large Fitzroy basin and presented in this paper.

Keywords: Climate change, rainfall, potential evaporation, scenario, sea level rise (SLR), sub-catchment.

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Authors: M. Grifoni, G. Petruzzelli, M. Barbafieri, I. Rosellini, B. Pezzarossa, F. Pedron

Abstract:

Evapotranspiration (ET) covers are an alternative cover system that utilizes water balance approach to maximize the ET process to reduce the contaminants leaching through the soil profile. Microcosm tests allow to identify in a short time the most suitable plant species to be used as alternative covers, their survival capacity, and simultaneously the transpiration and evaporation rate of the cover in a specific contaminated soil. This work shows the soil characterization and ET results of microcosm tests carried out on two contaminated soils by using Triticum durum and Helianthus annuus species. The data indicated that transpiration was higher than evaporation, supporting the use of plants as alternative cover at this contaminated site.

Keywords: Contaminated sites, ET cover, evapotranspiration, microcosm experiments.

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Authors: A. U. Moreh, M. Momoh, H. N. Yahya, B. Hamza, I. G. Saidu, S. Abdullahi

Abstract:

This work studies the effect of thickness on structural and electrical properties of CuAlS2 thin films grown by two stage vacuum thermal evaporation technique. CuAlS2 thin films of thicknesses 50nm, 100nm and 200nm were deposited on suitably cleaned corning 7059 glass substrate at room temperature (RT). In the first stage Cu-Al precursors were grown at room temperature by thermal evaporation and in the second stage Cu-Al precursors were converted to CuAlS2 thin films by sulfurisation under sulfur atmosphere at the temperature of 673K. The structural properties of the films were examined by X-ray diffraction (XRD) technique while electrical properties of the specimens were studied using four point probe method. The XRD studies revealed that the films are of crystalline in nature having tetragonal structure. The variations of the micro-structural parameters, such as crystallite size (D), dislocation density ( ), and micro-strain ( ), with film thickness were investigated. The results showed that the crystallite sizes increase as the thickness of the film increases. The dislocation density and micro-strain decreases as the thickness increases. The resistivity (  ) of CuAlS2 film is found to decrease with increase in film thickness, which is related to the increase of carrier concentration with film thickness. Thus thicker films exhibit the lowest resistivity and high carrier concentration, implying these are the most conductive films. Low electrical resistivity and high carrier concentration are widely used as the essential components in various optoelectronic devices such as light-emitting diode and photovoltaic cells.

Keywords: Crystalline, CuAlS2, evaporation, resistivity, sulfurisation, thickness.

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Authors: Sorin Soviany, Cristina Soviany, Mariana Jurian

Abstract:

The paper presents a multimodal approach for biometric authentication, based on multiple classifiers. The proposed solution uses a post-classification biometric fusion method in which the biometric data classifiers outputs are combined in order to improve the overall biometric system performance by decreasing the classification error rates. The paper shows also the biometric recognition task improvement by means of a carefully feature selection, as much as not all of the feature vectors components support the accuracy improvement.

Keywords: biometric fusion, multiple classifiers

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Authors: L. Chen, X. P. Ouyang, Z. B. Zhang, J. F. Zhang, J. L. Liu

Abstract:

Ultrafast doped zinc oxide crystal promised us a good opportunity to build new instruments for ICF fusion neutron measurement. Two pulsed neutron detectors based on ZnO crystal wafer have been conceptually designed, the superfast ZnO timing detector and the scintillation recoil proton neutron detection system. The structure of these detectors was presented, and some characters were studied as well. The new detectors could be much faster than existing systems, and would be more competent for ICF neutron diagnostics.

Keywords: ICF fusion neutron detection, proton recoil telescope, superfast timing, ZnO crystal

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Authors: Athanasios T. Alexiou, Maria M. Psiha, John A. Rekkas, Panayiotis M. Vlamos

Abstract:

Mitochondria are dynamic organelles, capable to interact with each other. While the number of mitochondria in a cell varies, their quality and functionality depends on the operation of fusion, fission, motility and mitophagy. Nowadays, several researches declare as an important factor in neurogenerative diseases the disruptions in the regulation of mitochondrial dynamics. In this paper a stochastic model in BioAmbients calculus is presented, concerning mitochondrial fusion and its distribution in the renewal of mitochondrial population in a cell. This model describes the successive and dependent stages of protein synthesis, protein-s activation and merging of two independent mitochondria.

Keywords: Mitochondrial Dynamics, P-Calculus, StochasticModeling.

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Authors: Gee-Sern Jison Hsu

Abstract:

A fusion classifier composed of two modules, one made by a hidden Markov model (HMM) and the other by a support vector machine (SVM), is proposed to recognize faces with pose variations in open-set recognition settings. The HMM module captures the evolution of facial features across a subject-s face using the subject-s facial images only, without referencing to the faces of others. Because of the captured evolutionary process of facial features, the HMM module retains certain robustness against pose variations, yielding low false rejection rates (FRR) for recognizing faces across poses. This is, however, on the price of poor false acceptance rates (FAR) when recognizing other faces because it is built upon withinclass samples only. The SVM module in the proposed model is developed following a special design able to substantially diminish the FAR and further lower down the FRR. The proposed fusion classifier has been evaluated in performance using the CMU PIE database, and proven effective for open-set face recognition with pose variations. Experiments have also shown that it outperforms the face classifier made by HMM or SVM alone.

Keywords: Face recognition, open-set identification, hidden Markov model, support vector machines.

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Authors: Zixian Zhang, Shanliang Yao, Zile Huang, Zhaodong Wu, Xiaohui Zhu, Yong Yue, Jieming Ma

Abstract:

Unmanned Surface Vehicles (USVs) hold significant value for their capacity to undertake hazardous and labor-intensive operations over aquatic environments. Object detection tasks are significant in these applications. Nonetheless, the efficacy of USVs in object detection is impeded by several intrinsic challenges, including the intricate dispersal of obstacles, reflections emanating from coastal structures, and the presence of fog over water surfaces, among others. To address these problems, this paper provides a fusion method for USVs to effectively detect objects in the inland surface environment, utilizing vision sensors and 3+1D Millimeter-wave radar. The MMW radar is a complementary tool to vision sensors, offering reliable environmental data. This approach involves the conversion of the radar’s 3D point cloud into a 2D radar pseudo-image, thereby standardizing the format for radar and vision data by leveraging a point transformer. Furthermore, this paper proposes the development of a multi-source object detection network, named RV-YOLOX, which leverages radar-vision integration specifically tailored for inland waterway environments. The performance is evaluated on our self-recording waterways dataset. Compared with the YOLOX network, our fusion network significantly improves detection accuracy, especially for objects with bad light conditions.

Keywords: Inland waterways, object detection, YOLO, sensor fusion, self-attention, deep learning.

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Authors: Mohammad Javadi, A. Golshani, Amir Mahdi Ghasemi, Morteza Anbarsooz, M. Moghiman

Abstract:

Observations show that power plant efficiency decreases in hot summer days. Water droplet injection in air condensers is suggested in order to decrease the inlet air temperature. Nozzle arrangement, injected water flow rate and droplets diameter effects on evaporation rate and the resulting air temperature are investigated using numerical simulation. Decreasing the diameter of injected droplets and increasing the number of injecting nozzles, decreases the outlet air temperature. Also a more uniform air temperature can be obtained using more injecting nozzles. Numerical results are in good agreement with analytical results.

Keywords: Power, air condenser, evaporation, droplet injection.

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Authors: G. Toker, V. Bulatov, T. Kovalchuk, I. Schechter

Abstract:

Dynamics of laser radiation – metal target interaction in water at 1064 nm by applying Mach-Zehnder interference technique was studied. The mechanism of generating the well developed regime of evaporation of a metal surface and a spherical shock wave in water is proposed. Critical intensities of the NIR for the well developed evaporation of silver and gold targets were determined. Dynamics of shock waves was investigated for earlier (dozens) and later (hundreds) nanoseconds of time. Transparent expanding plasma-vapor-compressed water object was visualized and measured. The thickness of compressed layer of water and pressures behind the front of a shock wave for later time delays were obtained from the optical treatment of interferograms.

Keywords: laser, shock wave, metal target, underwater

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Authors: Preeyaphorn Kosa, Thanutch Sukwimolseree

Abstract:

The climate change is a main parameter which affects the element of hydrological cycle especially runoff. Then, the purpose of this study is to determine the impact of the climate change on surface runoff using land use map on 2008 and daily weather data during January 1, 1979 to September 30, 2010 for SWAT model. SWAT continuously simulate time model and operates on a daily time step at basin scale. The results present that the effect of temperature change cannot be clearly presented on the change of runoff while the rainfall, relative humidity and evaporation are the parameters for the considering of runoff change. If there are the increasing of rainfall and relative humidity, there is also the increasing of runoff. On the other hand, if there is the increasing of evaporation, there is the decreasing of runoff.

Keywords: Climate, Runoff, SWAT, Upper Mun River Basin

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Authors: Mohamed K. Shahin, Ahmed M. Badawi, Mohamed E. M. Rasmy

Abstract:

Prior research evidenced that unimodal biometric systems have several tradeoffs like noisy data, intra-class variations, restricted degrees of freedom, non-universality, spoof attacks, and unacceptable error rates. In order for the biometric system to be more secure and to provide high performance accuracy, more than one form of biometrics are required. Hence, the need arise for multimodal biometrics using combinations of different biometric modalities. This paper introduces a multimodal biometric system (MMBS) based on fusion of whole dorsal hand geometry and fingerprints that acquires right and left (Rt/Lt) near-infra-red (NIR) dorsal hand geometry (HG) shape and (Rt/Lt) index and ring fingerprints (FP). Database of 100 volunteers were acquired using the designed prototype. The acquired images were found to have good quality for all features and patterns extraction to all modalities. HG features based on the hand shape anatomical landmarks were extracted. Robust and fast algorithms for FP minutia points feature extraction and matching were used. Feature vectors that belong to similar biometric traits were fused using feature fusion methodologies. Scores obtained from different biometric trait matchers were fused using the Min-Max transformation-based score fusion technique. Final normalized scores were merged using the sum of scores method to obtain a single decision about the personal identity based on multiple independent sources. High individuality of the fused traits and user acceptability of the designed system along with its experimental high performance biometric measures showed that this MMBS can be considered for med-high security levels biometric identification purposes.

Keywords: Unimodal, Multi-Modal, Biometric System, NIR Imaging, Dorsal Hand Geometry, Fingerprint, Whole Hands, Feature Extraction, Feature Fusion, Score Fusion

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Authors: B. Krittacom, P. Amatachaya, W. Srimuang, K. Inla

Abstract:

The combustion of liquid fuel in the porous burner (PB) was experimented to investigate evaporation mechanism and combustion behavior. The diesel oil was used as fuel and the pebbles carefully chosen in the same size like the solid sphere homogeneously was adopted as the porous media. Two structures of the liquid porous burner, i.e. the PB without and with installation of porous emitter (PE), were performed. PE was installed by lower than PB with distance of 20 cm. The pebbles having porosity (φ) of 0.45 and 0.52 were, respectively, used in PB and PE. The fuel was supplied dropwise from the top through the PB and the combustion was occurred between PB and PE. Axial profiles of temperature along the burner length were measured to clarify the evaporation and combustion phenomena. The pollutant emission characteristics were monitored at the burner exit. From the experiment, it was found that the temperature profiles of both structures decreased with the three ways swirling air flows (QA) increasing. On the other hand, the temperature profiles increased with fuel heat input (QF). Obviously, the profile of the porous burner installed with PE was higher than that of the porous burner without PE

Keywords: Liquid fuel, Porous burner, Temperature profile.

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Authors: Wadii Boulila, Imed Riadh Farah, Karim Saheb Ettabaa, Basel Solaiman, Henda Ben Ghezala

Abstract:

This paper investigates the problem of tracking spa¬tiotemporal changes of a satellite image through the use of Knowledge Discovery in Database (KDD). The purpose of this study is to help a given user effectively discover interesting knowledge and then build prediction and decision models. Unfortunately, the KDD process for spatiotemporal data is always marked by several types of imperfections. In our paper, we take these imperfections into consideration in order to provide more accurate decisions. To achieve this objective, different KDD methods are used to discover knowledge in satellite image databases. Each method presents a different point of view of spatiotemporal evolution of a query model (which represents an extracted object from a satellite image). In order to combine these methods, we use the evidence fusion theory which considerably improves the spatiotemporal knowledge discovery process and increases our belief in the spatiotemporal model change. Experimental results of satellite images representing the region of Auckland in New Zealand depict the improvement in the overall change detection as compared to using classical methods.

Keywords: Knowledge discovery in satellite databases, knowledge fusion, data imperfection, data mining, spatiotemporal change detection.

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Authors: Mbaitiga Zacharie

Abstract:

The objective of the presented work is to implement the Kalman Filter into an application that reduces the influence of the environmental changes over the robot expected to navigate over a terrain of varying friction properties. The Discrete Kalman Filter is used to estimate the robot position, project the estimated current state ahead at time through time update and adjust the projected estimated state by an actual measurement at that time via the measurement update using the data coming from the infrared sensors, ultrasonic sensors and the visual sensor respectively. The navigation test has been performed in a real world environment and has been found to be robust.

Keywords: Kalman filter, sensors fusion, robot navigation.

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Authors: Kyoung Hoon Kim

Abstract:

Gas turbine systems with wet compression have a potential for future power generation, since they can offer a high efficiency and a high specific power with a relatively low cost. In this study influence of ambient condition on the performance of the wet compression process is investigated with a non-equilibrium analytical modeling based on droplet evaporation. Transient behaviors of droplet diameter and temperature of mixed air are investigated for various ambient temperatures. Special attention is paid for the effects of ambient temperature, pressure ratio, and water injection ratios on the important wet compression variables including compressor outlet temperature and compression work. Parametric studies show that downing of the ambient temperature leads to lower compressor outlet temperature and consequently lower consumption of compression work even in wet compression processes.

Keywords: water injection, droplet evaporation, wet compression, gas turbine, ambient condition

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Authors: Sudipta Majumdar, Jayant Bharadwaj

Abstract:

This paper presents feature level image fusion using Haar lifting wavelet transform. Feature fused is edge and boundary information, which is obtained using wavelet transform modulus maxima criteria. Simulation results show the superiority of the result as entropy, gradient, standard deviation are increased for fused image as compared to input images. The proposed methods have the advantages of simplicity of implementation, fast algorithm, perfect reconstruction, and reduced computational complexity. (Computational cost of Haar wavelet is very small as compared to other lifting wavelets.)

Keywords: Lifting wavelet transform, wavelet transform modulus maxima.

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Authors: S. K. Tiwari, Dinesh Kumar Shukla, R. Chandra

Abstract:

Friction stir welding is a solid state joining process. High strength aluminum alloys are widely used in aircraft and marine industries. Generally, the mechanical properties of fusion welded aluminum joints are poor. As friction stir welding occurs in solid state, no solidification structures are created thereby eliminating the brittle and eutectic phases common in fusion welding of high strength aluminum alloys. In this review the process parameters, microstructural evolution, and effect of friction stir welding on the properties of weld specific to aluminum alloys have been discussed.

Keywords: Aluminum alloys, Friction stir welding (FSW), Microstructure, Properties.

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Authors: H. Ali, K. Hameed, N. Khan

Abstract:

In DMVC, we have more than one options of sources available for construction of side information. The newer techniques make use of both the techniques simultaneously by constructing a bitmask that determines the source of every block or pixel of the side information. A lot of computation is done to determine each bit in the bitmask. In this paper, we have tried to define areas that can only be well predicted by temporal interpolation and not by multiview interpolation or synthesis. We predict that all such areas that are not covered by two cameras cannot be appropriately predicted by multiview synthesis and if we can identify such areas in the first place, we don-t need to go through the script of computations for all the pixels that lie in those areas. Moreover, this paper also defines a technique based on KLT to mark the above mentioned areas before any other processing is done on the side view.

Keywords: Side Information, Distributed Multiview Video Coding, Fusion, Early Decision.

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Authors: Piercarlo Dondi, Luca Lombardi, Marco Porta

Abstract:

In the last years numerous applications of Human- Computer Interaction have exploited the capabilities of Time-of- Flight cameras for achieving more and more comfortable and precise interactions. In particular, gesture recognition is one of the most active fields. This work presents a new method for interacting with a virtual object in a 3D space. Our approach is based on the fusion of depth data, supplied by a ToF camera, with color information, supplied by a HD webcam. The hand detection procedure does not require any learning phase and is able to concurrently manage gestures of two hands. The system is robust to the presence in the scene of other objects or people, thanks to the use of the Kalman filter for maintaining the tracking of the hands.

Keywords: Gesture recognition, human-computer interaction, Time-of-Flight camera.

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Authors: Hyun-Koo Kim, Sangmoon Lee, Ho-Youl Jung, Ju H. Park

Abstract:

We present a system that finds road boundaries and constructs the virtual lane based on fusion data from a laser and a monocular sensor, and detects forward vehicle position even in no lane markers or bad environmental conditions. When the road environment is dark or a lot of vehicles are parked on the both sides of the road, it is difficult to detect lane and road boundary. For this reason we use fusion of laser and vision sensor to extract road boundary to acquire three dimensional data. We use parabolic road model to calculate road boundaries which is based on vehicle and sensors state parameters and construct virtual lane. And then we distinguish vehicle position in each lane.

Keywords: Vehicle Detection, Adaboost, Haar-like Feature, Road Boundary Detection

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Authors: J. Davoodi, F. Katouzi

Abstract:

The aim of this research was to calculate the thermal properties of Au3Ni Nanowire. The molecular dynamics (MD) simulation technique was used to obtain the effect of radius size on the energy, the melting temperature and the latent heat of fusion at the isobaric-isothermal (NPT) ensemble. The Quantum Sutton-Chen (Q-SC) many body interatomic potentials energy have been used for Gold (Au) and Nickel (Ni) elements and a mixing rule has been devised to obtain the parameters of these potentials for nanowire stats. Our MD simulation results show the melting temperature and latent heat of fusion increase upon increasing diameter of nanowire. Moreover, the cohesive energy decreased with increasing diameter of nanowire.

Keywords: Au3Ni Nanowire, Thermal properties, Molecular dynamics simulation

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Authors: Irene Luque Ruiz, Manuel Urbano Cuadrado, Miguel Ángel Gómez-Nieto

Abstract:

New graph similarity methods have been proposed in this work with the aim to refining the chemical information extracted from molecules matching. For this purpose, data fusion of the isomorphic and nonisomorphic subgraphs into a new similarity measure, the Approximate Similarity, was carried out by several approaches. The application of the proposed method to the development of quantitative structure-activity relationships (QSAR) has provided reliable tools for predicting several pharmacological parameters: binding of steroids to the globulin-corticosteroid receptor, the activity of benzodiazepine receptor compounds, and the blood brain barrier permeability. Acceptable results were obtained for the models presented here.

Keywords: Graph similarity, Nonisomorphic dissimilarity, Approximate similarity, Drug activity prediction.

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