Search results for: Green’s Function

Authors: S. Balaji, V. Swaminathan, K. Kannan

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The Minimum Weighted Vertex Cover (MWVC) problem is a classic graph optimization NP - complete problem. Given an undirected graph G = (V, E) and weighting function defined on the vertex set, the minimum weighted vertex cover problem is to find a vertex set S V whose total weight is minimum subject to every edge of G has at least one end point in S. In this paper an effective algorithm, called Support Ratio Algorithm (SRA), is designed to find the minimum weighted vertex cover of a graph. Computational experiments are designed and conducted to study the performance of our proposed algorithm. Extensive simulation results show that the SRA can yield better solutions than other existing algorithms found in the literature for solving the minimum vertex cover problem.

Keywords: Weighted vertex cover, vertex support, approximation algorithms, NP-complete problem.

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Authors: María I. Jiménez, Alberto Izquierdo, Juan J. Villacorta, Lara del Val, Mariano Raboso

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There are very complex communication systems, as the multifunction radar, MFAR (Multi-Function Array Radar), where functions are integrated all together, and simultaneously are performed the classic functions of tracking and surveillance, as all the functions related to the communication, countermeasures, and calibration. All these functions are divided into the tasks to execute. The task scheduler is a key element of the radar, since it does the planning and distribution of energy and time resources to be shared and used by all tasks. This paper presents schedulers based on the use of multiple queue. Several schedulers have been designed and studied, and it has been made a comparative analysis of different performed schedulers. The tests and experiments have been done by means of system software simulation. Finally a suitable set of radar characteristics has been selected to evaluate the behavior of the task scheduler working.

Keywords: Queue Theory, Radar, Scheduler, Task.

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Authors: Anuj Abraham, N. Pappa, Daniel Honc, Rahul Sharma

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In this paper, an analysis of some model order reduction techniques is presented. A new hybrid algorithm for model order reduction of linear time invariant systems is compared with the conventional techniques namely Balanced Truncation, Hankel Norm reduction and Dominant Pole Algorithm (DPA). The proposed hybrid algorithm is known as Clustering Dominant Pole Algorithm (CDPA), is able to compute the full set of dominant poles and its cluster center efficiently. The dominant poles of a transfer function are specific eigenvalues of the state space matrix of the corresponding dynamical system. The effectiveness of this novel technique is shown through the simulation results.

Keywords: Balanced truncation, Clustering, Dominant pole, Hankel norm, Model reduction.

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Authors: Shiva Abdoli, Daniel T. Semere

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Several researches have been conducted to study consumption of energy in cutting process. Most of these researches are focusing to measure the consumption and propose consumption reduction methods. In this work, the relation between the cutting parameters and the consumption is investigated in order to establish a generalized energy consumption model that can be used for process and production planning in real production lines. Using the generalized model, the process planning will be carried out by taking into account the energy as a function of the selected process parameters. Similarly, the generalized model can be used in production planning to select the right operational parameters like batch sizes, routing, buffer size, etc. in a production line. The description and derivation of the model as well as a case study are given in this paper to illustrate the applicability and validity of the model.

Keywords: Process parameters, cutting process, energy efficiency, Material Removal Rate (MRR).

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Authors: C. Rattanakawin, S. Vasailor

Abstract:

Acid leaching of flotation concentrate of oxide copper ore containing mainly of malachite was performed in a standard agitation tank with various parameters. The effects of solid to liquid ratio, sulfuric acid concentration, agitation speed, leaching temperature and time were examined to get proper conditions. The best conditions are 1:8 solid to liquid ratio, 10% concentration by weight, 250 rev/min, 30 ^oC and 5-min leaching time in respect. About 20% Cu grade assayed by atomic absorption technique with 98% copper recovery was obtained from these combined optimum conditions. Dissolution kinetics of the concentrate was approximated as a logarithmic function. As a result, the first-order reaction rate is suggested from this leaching study.

Keywords: Agitation leaching, dissolution kinetics, flotation concentrate, oxide copper ore, sulfuric acid.

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Authors: Ana Paula Esteves, Diego S. Caetano, Louise L. B. Lomardo

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This paper presents an approach on the advantages of using adequate coverage in the zenithal lighting typology in various areas of architectural production, while at the same time to encourage to the design concerns inherent in this choice of roofing in Brazil. Understanding that sustainability needs to cover several aspects, a roofing system such as zenithal lighting system can contribute to the provision of better quality natural light for the interior of the building, which is related to the good health and welfare; it will also be able to contribute for the sustainable aspects and environmental needs, when it allows the generation of energy in semitransparent or opacity photovoltaic solutions and economize the artificial lightning. When the energy balance in the building is positive, that is, when the building generates more energy than it consumes, it may fit into the Net Zero Energy Building concept. The zenithal lighting systems could be an important ally in Brazil, when solved the burden of heat gains, participate in the set of pro-efficiency actions in search of "zero energy buildings". The paper presents comparative three cases of buildings that have used this feature in search of better environmental performance, both in light comfort and sustainability as a whole. Two of these buildings are examples in Europe: the Notley Green School in the UK and the Isofóton factory in Spain. The third building with these principles of shed´s roof is located in Brazil: the Ipel´s factory in São Paulo.

Keywords: Natural lightning, net zero energy building, sheds, semi-transparent photovoltaics.

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Authors: Christopher Spiewak, M. R. Islam, Mohammad Arifur Rahaman, Mohammad H. Rahman, Roger Smith, Maarouf Saad

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For those who have lost the ability to move their hand, going through repetitious motions with the assistance of a therapist is the main method of recovery. We have been developed a robotic assistive device to rehabilitate the hand motions in place of the traditional therapy. The developed assistive device (RAD-HR) is comprised of four degrees of freedom enabling basic movements, hand function, and assists in supporting the hand during rehabilitation. We used a nonlinear computed torque control technique to control the RAD-HR. The accuracy of the controller was evaluated in simulations (MATLAB/Simulink environment). To see the robustness of the controller external disturbance as modelling uncertainty (±10% of joint torques) were added in each joints.

Keywords: Biorobotics, rehabilitation, nonlinear control, robotic assistive device, exoskeleton.

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Authors: Kazuo Komatsu, Hitoshi Takata

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In this paper we consider a nonlinear control design for nonlinear systems by using two-stage formal linearization and twotype LQ controls. The ordinary LQ control is designed on almost linear region around the steady state point. On the other region, another control is derived as follows. This derivation is based on coordinate transformation twice with respect to linearization functions which are defined by polynomials. The linearized systems can be made up by using Taylor expansion considered up to the higher order. To the resulting formal linear system, the LQ control theory is applied to obtain another LQ control. Finally these two-type LQ controls are smoothly united to form a single nonlinear control. Numerical experiments indicate that this control show remarkable performances for a nonlinear system.

Keywords: Formal Linearization, LQ Control, Nonlinear Control, Taylor Expansion, Zero Function.

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Authors: Amalka Nawarathna, Nirodha Fernando, Zaid Alwan

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Global carbon reduction is not merely a responsibility of environmentally advanced developed countries, but also a responsibility of developing countries regardless of their less impact on global carbon emissions. In recognition of that, Sri Lanka as a developing country has initiated promoting green building construction as one reduction strategy. However, notwithstanding the increasing attention on Embodied Carbon (EC) reduction in the global building sector, they still mostly focus on Operational Carbon (OC) reduction (through improving operational energy). An adequate attention has not yet been given on EC estimation and reduction. Therefore, this study aims to identify the reasons for the slow uptake of EC estimation in the Sri Lankan building sector. To achieve this aim, 16 numbers of global barriers to estimate EC were identified through existing literature. They were then subjected to a pilot survey to identify the significant reasons for the slow uptake of EC estimation in the Sri Lankan building sector. A questionnaire with a three-point Likert scale was used to this end. The collected data were analysed using descriptive statistics. The findings revealed that 11 out of 16 challenges/ barriers are highly relevant as reasons for the slow uptake in estimating EC in buildings in Sri Lanka while the other five challenges/ barriers remain as moderately relevant reasons. Further, the findings revealed that there are no low relevant reasons. Eventually, the paper concluded that all the known reasons are significant to the Sri Lankan building sector and it is necessary to address them in order to upturn the attention on EC reduction.

Keywords: Embodied carbon emissions, embodied carbon estimation, global carbon reduction, Sri Lankan building sector.

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Authors: M. Sedighizadeh, A. Rezazadeh

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In this paper a PID control strategy using neural network adaptive RASP1 wavelet for WECS-s control is proposed. It is based on single layer feedforward neural networks with hidden nodes of adaptive RASP1 wavelet functions controller and an infinite impulse response (IIR) recurrent structure. The IIR is combined by cascading to the network to provide double local structure resulting in improving speed of learning. This particular neuro PID controller assumes a certain model structure to approximately identify the system dynamics of the unknown plant (WECS-s) and generate the control signal. The results are applied to a typical turbine/generator pair, showing the feasibility of the proposed solution.

Keywords: Adaptive PID Control, RASP1 Wavelets, WindEnergy Conversion Systems.

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Authors: Negar Khezri, Golnaz Yaghoubnezhadzanganeh, Amirreza Attarzadeh

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Type 2 Diabetes (T2DM) and Alzheimer's disease (AD) are two main health problems influencing millions of people in the world. Neuron loss and synaptic impairment that interfere with cognition and memory cause for the behavioral indications of AD. While it is now accepted that insulin has central neuromodulatory purpose, it was contemplated for many years that brain is insusceptible to insulin, involving its function in memory and learning, which are impaired in AD. The common characteristics of both AD and T2D are impaired insulin signaling, oxidative stress, the excitation of inflammatory pathways and unqualified glucose metabolism. This review summarizes how the recognition of these mechanisms may lead to the development of alternative therapeutic approaches. Here we summarize how the recognition of these mechanisms may lead to the development of alternative therapeutic approaches.

Keywords: Alzheimer’s disease, diabetes, insulin resistance, neurodegenerative.

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Authors: Khalid Salhi, El Miloud Jaara, Mohammed Talibi Alaoui

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In this paper, we present a neural approach for unsupervised natural color-texture image segmentation, which is based on both Kohonen maps and mathematical morphology, using a combination of the texture and the image color information of the image, namely, the fractal features based on fractal dimension are selected to present the information texture, and the color features presented in RGB color space. These features are then used to train the network Kohonen, which will be represented by the underlying probability density function, the segmentation of this map is made by morphological watershed transformation. The performance of our color-texture segmentation approach is compared first, to color-based methods or texture-based methods only, and then to k-means method.

Keywords: Segmentation, color-texture, neural networks, fractal, watershed.

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Authors: Teerapun Saeheaw, Nivit Charoenchai, Wichai Chattinnawat

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This paper proposes a meta-heuristic called Ant Colony Optimization to solve multi-objective production problems. The multi-objective function is to minimize lead time and work in process. The problem is related to the decision variables, i.e.; distance and process time. According to decision criteria, the mathematical model is formulated. In order to solve the model an ant colony optimization approach has been developed. The proposed algorithm is parameterized by the number of ant colonies and the number of pheromone trails. One example is given to illustrate the effectiveness of the proposed model. The proposed formulations; Max-Min Ant system are then used to solve the problem and the results evaluate the performance and efficiency of the proposed algorithm using simulation.

Keywords: Ant colony optimization, multi-objective problems.

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Authors: Sang-Rak Kim, Jea-Yong Park, Won-Goo Lee, Jin-Shik Yu, Seog-Young Han

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This paper presents a Reliability-Based Topology Optimization (RBTO) based on Evolutionary Structural Optimization (ESO). An actual design involves uncertain conditions such as material property, operational load and dimensional variation. Deterministic Topology Optimization (DTO) is obtained without considering of the uncertainties related to the uncertainty parameters. However, RBTO involves evaluation of probabilistic constraints, which can be done in two different ways, the reliability index approach (RIA) and the performance measure approach (PMA). Limit state function is approximated using Monte Carlo Simulation and Central Composite Design for reliability analysis. ESO, one of the topology optimization techniques, is adopted for topology optimization. Numerical examples are presented to compare the DTO with RBTO.

Keywords: Evolutionary Structural Optimization, PerformanceMeasure Approach, Reliability-Based Topology Optimization, Reliability Index Approach.

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Authors: Clio G. Vossou, Ioannis N. Koukoulis, Christopher G. Provatidis

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The present work encounters the solution of the defect identification problem with the use of an evolutionary algorithm combined with a simplex method. In more details, a Matlab implementation of Genetic Algorithms is combined with a Simplex method in order to lead to the successful identification of the defect. The influence of the location and the orientation of the depressed ellipsoidal flaw was investigated as well as the use of different amount of static data in the cost function. The results were evaluated according to the ability of the simplex method to locate the global optimum in each test case. In this way, a clear impression regarding the performance of the novel combination of the optimization algorithms, and the influence of the geometrical parameters of the flaw in defect identification problems was obtained.

Keywords: Defect identification, genetic algorithms, optimization.

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Authors: Toshihiko Matsuka, James E. Corter

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Most neural network (NN) models of human category learning use a gradient-based learning method, which assumes that locally-optimal changes are made to model parameters on each learning trial. This method tends to under predict variability in individual-level cognitive processes. In addition many recent models of human category learning have been criticized for not being able to replicate rapid changes in categorization accuracy and attention processes observed in empirical studies. In this paper we introduce stochastic learning algorithms for NN models of human category learning and show that use of the algorithms can result in (a) rapid changes in accuracy and attention allocation, and (b) different learning trajectories and more realistic variability at the individual-level.

Keywords: category learning, cognitive modeling, radial basis function, stochastic optimization.

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Authors: M. Hanif, M. Salik

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In the present research work we present the optical emission studies of the Indium (In) – Tin (Sn) plasma produced by the first (1064 nm) harmonic of an Nd: YAG nanosecond pulsed laser. The experimentally observed line profiles of neutral Indium (In I) and Tin (SnI) are used to extract the electron temperature (Te) using the Boltzmann plot method. Whereas, the electron number density (Ne) has been determined from the Stark broadening line profile method. The Te is calculated by varying the distance from the target surface along the line of propagation of plasma plume and also by varying the laser irradiance. Beside we have studied the variation of Ne as a function of laser irradiance as well as its variation with distance from the target surface.

Keywords: Indium – Tin plasma, laser ablation, optical emission spectroscopy, electron temperature, and electron number density.

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Authors: Marina Velikova, Hennie Daniels, Ad Feelders

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In many applications, it is a priori known that the target function should satisfy certain constraints imposed by, for example, economic theory or a human-decision maker. Here we consider partially monotone problems, where the target variable depends monotonically on some of the predictor variables but not all. We propose an approach to build partially monotone models based on the convolution of monotone neural networks and kernel functions. The results from simulations and a real case study on house pricing show that our approach has significantly better performance than partially monotone linear models. Furthermore, the incorporation of partial monotonicity constraints not only leads to models that are in accordance with the decision maker's expertise, but also reduces considerably the model variance in comparison to standard neural networks with weight decay.

Keywords: Mixture models, monotone neural networks, partially monotone models, partially monotone problems.

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Authors: Homa Torabizadeh

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This study proposes a basic molecular formula for all proteins. A total of 10,739 proteins belonging to 9 different protein groups classified on the basis of their functions were selected randomly. They included enzymes, storage proteins, hormones, signalling proteins, structural proteins, transport proteins, immunoglobulins or antibodies, motor proteins and receptor proteins. After obtaining the protein molecular formula using the ProtParam tool, the H/C, N/C, O/C, and S/C ratios were determined for each randomly selected sample. In this case, H, N, O, and S coefficients were specified per carbon atom. Surprisingly, the results demonstrated that H, N, O, and S coefficients for all 10,739 proteins are similar and highly correlated. This study demonstrates that despite differences in the structure and function, all known proteins have a similar basic molecular formula CnH1.58 ± 0.015nN0.28 ± 0.005nO0.30 ± 0.007nS0.01 ± 0.002n. The total correlation between all coefficients was found to be 0.9999.

Keywords: Protein molecular formula, Basic unit formula, Protparam tool.

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Authors: Samir Abdelhamid, Noureddine Bouguechal

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We report in this paper the procedure of a system of automatic speech recognition based on techniques of the dynamic programming. The technique of temporal retiming is a technique used to synchronize between two forms to compare. We will see how this technique is adapted to the field of the automatic speech recognition. We will expose, in a first place, the theory of the function of retiming which is used to compare and to adjust an unknown form with a whole of forms of reference constituting the vocabulary of the application. Then we will give, in the second place, the various algorithms necessary to their implementation on machine. The algorithms which we will present were tested on part of the corpus of words in Arab language Arabdic-10 [4] and gave whole satisfaction. These algorithms are effective insofar as we apply them to the small ones or average vocabularies.

Keywords: Continuous speech recognition, temporal retiming, phonetic decoding, algorithms, vocal signal, dynamic programming.

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Authors: So-Jeong Youn, Kyung-Whan Oh

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The human friendly interaction is the key function of a human-centered system. Over the years, it has received much attention to develop the convenient interaction through intention recognition. Intention recognition processes multimodal inputs including speech, face images, and body gestures. In this paper, we suggest a novel approach of intention recognition using a graph representation called Intention Graph. A concept of valid intention is proposed, as a target of intention recognition. Our approach has two phases: goal recognition phase and intention recognition phase. In the goal recognition phase, we generate an action graph based on the observed actions, and then the candidate goals and their plans are recognized. In the intention recognition phase, the intention is recognized with relevant goals and user profile. We show that the algorithm has polynomial time complexity. The intention graph is applied to a simple briefcase domain to test our model.

Keywords: Intention recognition, intention, graph, HCI.

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Authors: Lianxue Shi

Abstract:

Riverfront streets have the dual characteristics of street space and waterfront space, which is not only a vital place for residents to travel and communicate, but also a high-frequency space for people's leisure and entertainment. However, under the development of cities and towns pursuing efficiency, riverfront streets appear to have a variety of problems, such as a lack of multifunctionality, insufficient facilities, and loss of characteristics, which fail to meet the needs of various groups of people, and their inclusiveness is facing a great challenge. It is, therefore, evident that the optimization of riverfront street space from an inclusivity perspective is important to the establishment of a human-centered, high-quality urban space. Therefore, this article starts by exploring the interactive relationship between inclusive design and street space. Based on the analysis of the characteristics of the riverfront street space and people's needs, it proposes the four inclusive design orientations of natural inclusion, group inclusion, spatial inclusion, and social inclusion. It then constructs a design framework for the inclusive optimization of riverfront street space, aiming to create streets that are “safe and accessible, diverse and shared, distinctive and friendly, green and sustainable”. Riverfront streets in Wansheng District, Chongqing, are selected as a practice case, and specific strategies are put forward in four aspects: the creation of an accessible slow-traffic system, the provision of diversified functional services, the reshaping of emotional bonds, and the integration of ecological spaces.

Keywords: Inclusive design, riverfront street, spatial optimization, street spaces.

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Authors: Basheer M. Al-Maqaleh, Kamal K. Bharadwaj

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Automated discovery of hierarchical structures in large data sets has been an active research area in the recent past. This paper focuses on the issue of mining generalized rules with crisp hierarchical structure using Genetic Programming (GP) approach to knowledge discovery. The post-processing scheme presented in this work uses flat rules as initial individuals of GP and discovers hierarchical structure. Suitable genetic operators are proposed for the suggested encoding. Based on the Subsumption Matrix(SM), an appropriate fitness function is suggested. Finally, Hierarchical Production Rules (HPRs) are generated from the discovered hierarchy. Experimental results are presented to demonstrate the performance of the proposed algorithm.

Keywords: Genetic Programming, Hierarchy, Knowledge Discovery in Database, Subsumption Matrix.

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Authors: Keunhong Chae, Youngpo Lee, Seokho Yoon

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In cognitive radio (CR) systems, the primary user (PU) signal would randomly depart or arrive during the sensing period of a CR user, which is referred to as the high traffic environment. In this paper, we propose a novel spectrum sensing scheme based on the cyclostationarity of PU signals in high traffic environments. Specifically, we obtain a test statistic by applying an estimate of spectral autocoherence function of the PU signal to the generalized- likelihood ratio. From numerical results, it is confirmed that the proposed scheme provides a better spectrum sensing performance compared with the conventional spectrum sensing scheme based on the energy of the PU signals in high traffic environments.

Keywords: Spectrum sensing, cyclostationarity, high traffic environments.

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Authors: M. Chomczyńska

Abstract:

The studies concerned an effect of six variants of ion exchange substrate (nutrient carriers with a different potential impact on pH of soil solution) on vegetation of orchard grass during two different periods (42 and 84 days). In the pot experiment plants were grown on sand (model of degraded soil) and six mixtures of sand and 2% (v/v) additions of particular variants of ion exchange substrate (with pH ranged from 5.5 to 8.0). The study results showed that the addition of the substrate at pH=6.5 caused the highest increase in plant yield after shorter vegetation period whereas the addition of the substrate at pH=5.5 increased dry stem and root biomass of orchard grass after longer vegetation period. Thus, the ion exchange substrate at pH=6.5 can be recommended for restoration of exhausted soils when shorter vegetation period is planned; the ion exchange substrate at pH=5.5 can be used for the same purpose when longer periods of vegetative growth are considered.

Keywords: ion exchanger, ion exchange substrate, soilrestoration

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Authors: Sabri Mrayed, David Maccioni, Greg Leslie

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Seawater desalination has been accepted as one of the most effective solutions to the growing problem of a diminishing clean drinking water supply. Currently two desalination technologies dominate the market – the thermally driven multi-stage flash distillation (MSF) and the membrane based reverse osmosis (RO). However, in recent years membrane distillation (MD) has emerged as a potential alternative to the established means of desalination. This research project intended to determine the viability of MD as an alternative process to MSF and RO for seawater desalination. Specifically the project involves conducting thermodynamic analysis of the process based on the second law of thermodynamics to determine the efficiency of the MD. Data was obtained from experiments carried out on a laboratory rig. To determine exergy values required for the exergy analysis, two separate models were built in Engineering Equation Solver – the ’Minimum Separation Work Model’ and the ‘Stream Exergy Model’. The efficiency of MD process was found to be 17.3 % and the energy consumption was determined to be 4.5 kWh to produce one cubic meter of fresh water. The results indicate MD has potential as a technique for seawater desalination compared to RO and MSF. However it was shown that this was only the case if an alternate energy source such as green or waste energy was available to provide the thermal energy input to the process. If the process was required to power itself, it was shown to be highly inefficient and in no way thermodynamically viable as a commercial desalination process.

Keywords: Desalination, Exergy, Membrane distillation, Second law efficiency.

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Authors: M.Sujaritha, S. Annadurai

Abstract:

An adaptive spatial Gaussian mixture model is proposed for clustering based color image segmentation. A new clustering objective function which incorporates the spatial information is introduced in the Bayesian framework. The weighting parameter for controlling the importance of spatial information is made adaptive to the image content to augment the smoothness towards piecewisehomogeneous region and diminish the edge-blurring effect and hence the name adaptive spatial finite mixture model. The proposed approach is compared with the spatially variant finite mixture model for pixel labeling. The experimental results with synthetic and Berkeley dataset demonstrate that the proposed method is effective in improving the segmentation and it can be employed in different practical image content understanding applications.

Keywords: Adaptive; Spatial, Mixture model, Segmentation, Color.

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Authors: Ek Ngoy, A F Mulaba-Bafubiandi

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Cobalt was acid nitric leached from a mixed cobaltcopper oxide with variable acid concentration. Resulting experimental data were used to analyze effects of increase in acid concentration, based on a shrinking core model of the process. The mathematical simulation demonstrated that the time rate of the dissolution mechanism is an increasing function of acid concentration. It was also shown that the magnitude of the acid concentration effect is time dependent and the increase in acid concentration is more effective at earlier stage of the dissolution than at later stage. The remaining process parameters are comprehensively affected by acid concentration and their interaction is synergetic.

Keywords: Acid effect, Cobalt, Cobalt-copper oxide, Leaching, Simulation

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Authors: Byoung-Tak Zhang, Chan-Hoon Park

Abstract:

Hypernetworks are a generalized graph structure representing higher-order interactions between variables. We present a method for self-organizing hypernetworks to learn an associative memory of sentences and to recall the sentences from this memory. This learning method is inspired by the “mental chemistry" model of cognition and the “molecular self-assembly" technology in biochemistry. Simulation experiments are performed on a corpus of natural-language dialogues of approximately 300K sentences collected from TV drama captions. We report on the sentence completion performance as a function of the order of word-interaction and the size of the learning corpus, and discuss the plausibility of this architecture as a cognitive model of language learning and memory.

Keywords: Linguistic recall memory, sentence completion task, self-organizing hypernetworks, cognitive learning and memory.

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Authors: R. O. Ocaya, J. J. Terblans

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The laws of Newtonian mechanics allow ab-initio molecular dynamics to model and simulate particle trajectories in material science by defining a differentiable potential function. This paper discusses some considerations for the coding of ab-initio programs for simulation on a standalone computer and illustrates the approach by C language codes in the context of embedded metallic atoms in the face-centred cubic structure. The algorithms use velocity-time integration to determine particle parameter evolution for up to several thousands of particles in a thermodynamical ensemble. Such functions are reusable and can be placed in a redistributable header library file. While there are both commercial and free packages available, their heuristic nature prevents dissection. In addition, developing own codes has the obvious advantage of teaching techniques applicable to new problems.

Keywords: C-language, molecular dynamics, simulation, embedded atom method.

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