Search results for: generalized inverse matrix approach

Authors: Xiaoou Li, Wen Yu

Abstract:

Crude oil blending is an important unit operation in petroleum refining industry. A good model for the blending system is beneficial for supervision operation, prediction of the export petroleum quality and realizing model-based optimal control. Since the blending cannot follow the ideal mixing rule in practice, we propose a static neural network to approximate the blending properties. By the dead-zone approach, we propose a new robust learning algorithm and give theoretical analysis. Real data of crude oil blending is applied to illustrate the neuro modeling approach.

Keywords: Neural networks, modeling, stability, crude oil.

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Authors: Xing Jiankuan, Qin Zheng, Zhang Jinxue

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Decentralized Tuple Space (DTS) implements tuple space model among a series of decentralized hosts and provides the logical global shared tuple repository. Replication has been introduced to promote performance problem incurred by remote tuple access. In this paper, we propose a replication approach of DTS allowing replication policies self-adapting. The accesses from users or other nodes are monitored and collected to contribute the decision making. The replication policy may be changed if the better performance is expected. The experiments show that this approach suitably adjusts the replication policies, which brings negligible overhead.

Keywords: Decentralization, Replication Management, SelfAdaption, Tuple Space.

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Authors: Nai-Chieh Wei, I-Ming Chao, Chin-Jung Liuand, Hong Long Chen

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This paper combines the branch-and-bound method and the petri net to solve the two-sided assembly line balancing problem, thus facilitating effective branching and pruning of tasks. By integrating features of the petri net, such as reachability graph and incidence matrix, the propose method can support the branch-and-bound to effectively reduce poor branches with systematic graphs. Test results suggest that using petri net in the branching process can effectively guide the system trigger process, and thus, lead to consistent results.

 

Keywords: Branch-and-Bound Method, Petri Net, Two-Sided Assembly Line Balancing Problem.

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Authors: Prabh Preet Singh, Harpreet Kaur

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This paper presents a method for single image dehazing based on dark channel prior (DCP). The property that the intensity of the dark channel gives an approximate thickness of the haze is used to estimate the transmission and atmospheric light. Instead of constant atmospheric light, the proposed method employs scene depth to estimate spatially varying atmospheric light as it truly occurs in nature. Haze imaging model together with the soft matting method has been used in this work to produce high quality haze free image. Experimental results demonstrate that the proposed approach produces better results than the classic DCP approach as color fidelity and contrast of haze free image are improved and no over-saturation in the sky region is observed. Further, lifting Haar wavelet transform is employed to reduce overall execution time by a factor of two to three as compared to the conventional approach.

Keywords: Depth based atmospheric light, dark channel prior, lifting wavelet.

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Authors: Wei Lifan, Zhang Huaiyu, Yang Yunbin, Li Jia

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Through the analysis of the process digital design based on digital mockup, the fact indicates that a distributed cooperative supporting environment is the foundation conditions to adopt design approach based on DMU. Data access authorization is concerned firstly because the value and sensitivity of the data for the enterprise. The access control for administrators is often rather weak other than business user. So authors established an enhanced system to avoid the administrators accessing the engineering data by potential approach and without authorization. Thus the data security is improved.

Keywords: access control, DMU, PLM, virtual prototype.

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Authors: Ridha Ghayoula, Mbarek Traii, Ali Gharsallah

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In this paper, we intend to study the synthesis of the multibeam arrays. The synthesis implementation-s method for this type of arrays permits to approach the appropriated radiance-s diagram. The used approach is based on neural network that are capable to model the multibeam arrays, consider predetermined general criteria-s, and finally it permits to predict the appropriated diagram from the neural model. Our main contribution in this paper is the extension of a synthesis model of these multibeam arrays.

Keywords: Multibeam, modelling, neural networks, synthesis, antennas.

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Authors: Olumide Simeon Ogunnusi, Shukor Abd Razak, Michael Kolade Adu

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Inter-agent communication manager facilitates communication among mobile agents via message passing mechanism. Until now, all Foundation for Intelligent Physical Agents (FIPA) compliant agent systems are capable of exchanging messages following the standard format of sending and receiving messages. Previous works tend to secure messages to be exchanged among a community of collaborative agents commissioned to perform specific tasks using cryptosystems. However, the approach is characterized by computational complexity due to the encryption and decryption processes required at the two ends. The proposed approach to secure agent communication allows only agents that are created by the host agent server to communicate via the agent communication channel provided by the host agent platform. These agents are assumed to be harmless. Therefore, to secure communication of legitimate agents from intrusion by external agents, a 2-phase policy enforcement system was developed. The first phase constrains the external agent to run only on the network server while the second phase confines the activities of the external agent to its execution environment. To implement the proposed policy, a controller agent was charged with the task of screening any external agent entering the local area network and preventing it from migrating to the agent execution host where the legitimate agents are running. On arrival of the external agent at the host network server, an introspector agent was charged to monitor and restrain its activities. This approach secures legitimate agent communication from Man-in-the Middle and Replay attacks.

Keywords: Agent communication, introspective agent, isolation of agent, policy enforcement system.

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Authors: Pavel V. Balabanov, Daria A. Liubimova, Aleksandr P. Savenkov

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The increase of technogenic and natural accidents, accompanied by air pollution, for example, by combustion products, leads to the necessity of respiratory protection. This work is devoted to the development of a calorimetric method and a device which allows investigating quickly the kinetics of carbon dioxide sorption by chemisorbents on the base of potassium superoxide in order to assess the protective properties of respiratory protective closed circuit apparatus. The features of the traditional approach for determining the sorption properties in a thin layer of chemisorbent are described, as well as methods and devices, which can be used for the sorption kinetics study. The authors developed an approach (as opposed to the traditional approach) based on the power measurement of internal heat sources in the chemisorbent layer. The emergence of the heat sources is a result of exothermic reaction of carbon dioxide sorption. This approach eliminates the necessity of chemical analysis of samples and can significantly reduce the time and material expenses during chemisorbents testing. Error of determining the volume fraction of adsorbed carbon dioxide by the developed method does not exceed 12%. Taking into account the efficiency of the method, we consider that it is a good alternative to traditional methods of chemical analysis under the assessment of the protection sorbents quality.

Keywords: Carbon dioxide chemisorption, exothermic reaction, internal heat sources, respiratory protective apparatus.

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Authors: Bekim Fetaji, Majlinda Fetaji

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The development and use of mobile devices as well as its integration within education systems to deliver electronic contents and to support real-time communications was the focus of this research. In order to investigate the software engineering issues in using mobile devices a research on electronic content was initiated. The Developed MP3 mobile software solution was developed as a prototype for testing and developing a strategy for designing a usable m-learning environment. The mobile software solution was evaluated using mobile device using the link: http://projects.seeu.edu.mk/mlearn. The investigation also tested the correlation between the two mobile learning indicators: electronic content and attention, based on the Task Based learning instructional method. The mobile software solution ''M-Learn“ was developed as a prototype for testing the approach and developing a strategy for designing usable m-learning environment. The proposed methodology is about what learning modeling approach is more appropriate to use when developing mobile learning software.

Keywords: M-learning, mobile software development, mobiledevices, learning instructions, task based learning.

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Authors: Kais Hafsaoui

Abstract:

In this paper, we propose to study the synthesis of the vertical dipole antenna over imperfect ground. The synthesis implementation-s method for this type of antenna permits to approach the appropriated radiance-s diagram. The used approach is based on neural network. Our main contribution in this paper is the extension of a synthesis model of this vertical dipole antenna over imperfect ground.

Keywords: Vertical dipole antenna, imperfect ground, neural network.

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Authors: Bogdan Bogdanov, Irena Markovska, Yancho Hristov, Dimitar Georgiev

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Lightweight ceramic materials in the form of bricks and blocks are widely used in modern construction. They may be obtained by adding of rice husk, rye straw, etc, as porous forming materials. Rice husk is a major by-product of the rice milling industry. Its utilization as a valuable product has always been a problem. Various technologies for utilization of rice husk through biological and thermochemical conversion are being developed. The purpose of this work is to develop lightweight ceramic materials with clay matrix and filler of rice husk and examine their main physicomechanical properties. The results obtained allow to suppose that the materials synthesized on the basis of waste materials can be used as lightweight materials for construction purpose.

Keywords: lightweight ceramic materials, properties, agro-waste

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Authors: S. S. Nafee, A. K. Al-Ramady, S. A. Shaheen

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The mixed oxide nuclear fuel (MOX) of U and Pu contains several percent of fission products and minor actinides, such as neptunium, americium and curium. It is important to determine accurately the decay heat from Curium isotopes as they contribute significantly in the MOX fuel. This heat generation can cause samples to melt very quickly if excessive quantities of curium are present. In the present paper, we introduce a new approach that can predict the decay heat from curium isotopes. This work is a part of the project funded by King Abdulaziz City of Science and Technology (KASCT), Long-Term Comprehensive National Plan for Science, Technology and Innovations, and take place in King Abdulaziz University (KAU), Saudi Arabia. The approach is based on the numerical solution of coupled linear differential equations that describe decays and buildups of many nuclides to calculate the decay heat produced after shutdown. Results show the consistency and reliability of the approach applied.

Keywords: Decay heat, Mixed oxide nuclear fuel, Numerical Solution of Linear Differential Equations, and Curium isotopes

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Authors: K. Broniszewski, J. Woźniak, K. Czechowski, P. Orłowski, A. Olszyna

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Alumina matrix composites with addition of hexagonal boron nitride (hBN), acting as solid lubricant, were produced. Main purpose of solid lubricants is to dispose the necessity of using cooling lubricants in machining process. Hot pressing was used as a consolidating process for Al2O3-x%wt.hBN (x=1/ 2,5/ 5 /7,5 /10) composites. Properties of sinters such as relative density, hardness, Young-s modulus and fracture toughness were examined. Obtained samples characterize by high relative density. Hardness and fracture toughness values allow the use of alumina – hBN composites for machining steels even in hardened condition. However it was observed that high weight content of hBN can negatively influence the mechanical properties of composites.

Keywords: Alumina. Composites, Hexagonal boron nitride, Machining

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Authors: Olusheye Akinfenwa, Samuel Jator, Nianmin Yoa

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A block backward differentiation formula of uniform order eight is proposed for solving first order stiff initial value problems (IVPs). The conventional 8-step Backward Differentiation Formula (BDF) and additional methods are obtained from the same continuous scheme and assembled into a block matrix equation which is applied to provide the solutions of IVPs on non-overlapping intervals. The stability analysis of the method indicates that the method is L0-stable. Numerical results obtained using the proposed new block form show that it is attractive for solutions of stiff problems and compares favourably with existing ones.

Keywords: Stiff IVPs, System of ODEs, Backward differentiationformulas, Block methods, Stability.

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Authors: M. N. Azian, A. N. Ilia Anisa, Y. Iwai

Abstract:

The mechanism for extraction bioactive compounds from plant matrix is essential for optimizing the extraction process. As a benchmark technique, a soxhlet extraction has been utilized for discussing the mechanism and compared with an accelerated water extraction. The trends of both techniques show that the process involves extraction and degradation. The highest yields of 6-, 8-, 10-gingerols and 6-shogaol in soxhlet extraction were 13.948, 7.12, 10.312 and 2.306 mg/g, respectively. The optimum 6-, 8-, 10-gingerols and 6-shogaol extracted by the accelerated water extraction at 140oC were 68.97±3.95 mg/g at 3min, 18.98±3.04 mg/g at 5min, 5.167±2.35 mg/g at 3min and 14.57±6.27 mg/g at 3min, respectively. The effect of temperature at 3mins shows that the concentration of 6-shogaol increased rapidly as decreasing the recovery of 6-gingerol.

Keywords: Mechanism, bioactive compounds, soxhlet extraction, accelerated water extraction.

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Authors: Ramin Javadzadeh, Zahra Afsahi, MohammadReza Meybodi

Abstract:

The hybridization of artificial immune system with cellular automata (CA-AIS) is a novel method. In this hybrid model, the cellular automaton within each cell deploys the artificial immune system algorithm under optimization context in order to increase its fitness by using its neighbor-s efforts. The hybrid model CA-AIS is introduced to fix the standard artificial immune system-s weaknesses. The credibility of the proposed approach is evaluated by simulations and it shows that the proposed approach achieves better results compared to standard artificial immune system.

Keywords: Artificial Immune System, Cellular Automat, neighborhood

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Authors: Antonis Sideris, Elias Chlis Kalogeropoulos, Konstantia Moirogiorgou

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The present study proposes a methodology for the efficient daily management of fleet vehicles and construction machinery. The application covers the area of remote monitoring of heavy-duty vehicles operation parameters, where specific sensor data are stored and examined in order to provide information about the vehicle’s health. The vehicle diagnostics allow the user to inspect whether maintenance tasks need to be performed before a fault occurs. A properly designed machine learning model is proposed for the detection of two different types of faults through classification. Cross validation is used and the accuracy of the trained model is checked with the confusion matrix.

Keywords: Fault detection, feature selection, machine learning, predictive maintenance.

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Authors: B. S. Raghavendra, D. Narayana Dutt

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Electroencephalogram (EEG) recordings are often contaminated with ocular and muscle artifacts. In this paper, the canonical correlation analysis (CCA) is used as blind source separation (BSS) technique (BSS-CCA) to decompose the artifact contaminated EEG into component signals. We combine the BSSCCA technique with wavelet filtering approach for minimizing both ocular and muscle artifacts simultaneously, and refer the proposed method as wavelet enhanced BSS-CCA. In this approach, after careful visual inspection, the muscle artifact components are discarded and ocular artifact components are subjected to wavelet filtering to retain high frequency cerebral information, and then clean EEG is reconstructed. The performance of the proposed wavelet enhanced BSS-CCA method is tested on real EEG recordings contaminated with ocular and muscle artifacts, for which power spectral density is used as a quantitative measure. Our results suggest that the proposed hybrid approach minimizes ocular and muscle artifacts effectively, minimally affecting underlying cerebral activity in EEG recordings.

Keywords: Blind source separation, Canonical correlationanalysis, Electroencephalogram, Muscle artifact, Ocular artifact, Power spectrum, Wavelet threshold.

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Authors: Shankar Kambhampaty, Venkata Srinivas Modali

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When architecting an application, key nonfunctional requirements such as performance, scalability, availability and security, which influence the architecture of the system, are some times not adequately addressed. Performance of the application may not be looked at until there is a concern. There are several problems with this reactive approach. If the system does not meet its performance objectives, the application is unlikely to be accepted by the stakeholders. This paper suggests an approach for performance modeling for web based J2EE and .Net applications to address performance issues early in the development life cycle. It also includes a Performance Modeling Case Study, with Proof-of-Concept (PoC) and implementation details for .NET and J2EE platforms.

Keywords: Performance Measures, Performance Modeling, Performance Testing, Resource Utilization, Response Time, Throughput.

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Authors: A. Keshavarz, Z. Roosta

Abstract:

In this paper, propagation of cos-Gaussian beam in strongly nonlocal nonlinear media has been stimulated by using paraxial group transformation. At first, cos-Gaussian beam, nonlocal nonlinear media, critical power, transfer matrix, and paraxial group transformation are introduced. Then, the propagation of the cos-Gaussian beam in strongly nonlocal nonlinear media is simulated. Results show that beam propagation has periodic structure during self-focusing effect in this case. However, this simple method can be used for investigation of propagation of kinds of beams in ABCD optical media.

Keywords: Paraxial group transformation, nonlocal nonlinear media, Cos-Gaussian beam, ABCD law.

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Authors: Wiem Daoud Ben Amor, Luis Martínez López, Jr., Hela Moalla Frikha

Abstract:

Most of the multi-criteria group decision making (MCGDM) problems dealing with qualitative criteria require consideration of the large background of expert information. It is common that experts have different degrees of knowledge for giving their alternative assessments according to criteria. So, it seems logical that they use different evaluation scales to express their judgment, i.e., multi granular linguistic scales. In this context, we propose the extension of the classical additive ratio assessment (ARAS) method to the case of a hierarchical linguistics term for managing multi granular linguistic scales in uncertain context where uncertainty is modeled by means in linguistic information. The proposed approach is called the extended hierarchical linguistics-ARAS method (ELH-ARAS). Within the ELH-ARAS approach, the decision maker (DMs) can diagnose the results (the ranking of the alternatives) in a decomposed style i.e., not only at one level of the hierarchy but also at the intermediate ones. Also, the developed approach allows a feedback transformation i.e., the collective final results of all experts are able to be transformed at any level of the extended linguistic hierarchy that each expert has previously used. Therefore, the ELH-ARAS technique makes it easier for decision-makers to understand the results. Finally, an MCGDM case study is given to illustrate the proposed approach.

Keywords: Additive ratio assessment, extended hierarchical linguistic, multi-criteria group decision making problems, multi granular linguistic contexts.

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Authors: Saman M. Siddiqui, Fang Jiancheng

Abstract:

Robust nonlinear integrated navigation of GPS and low cost MEMS is a hot topic of research these days. A robust filter is required to cope up with the problem of unpredictable discontinuities and colored noises associated with low cost sensors. H∞ filter is previously used in Extended Kalman filter and Unscented Kalman filter frame. Unscented Kalman filter has a problem of Cholesky matrix factorization at each step which is a very unstable operation. To avoid this problem in this research H∞ filter is designed in Square root Unscented filter framework and found 50% more robust towards increased level of colored noises.

Keywords: H∞ filter, MEMS, GPS, Nonlinear system, robust system, Square root unscented filter.

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Authors: Vultchan T. Gueorgiev, Racho M. Ivanov, Ivan S. Yatchev, Krastyo L. Hinov

Abstract:

An approach for experimental measurement of the dynamic characteristics of linear electromagnet actuators is presented. It uses accelerometer sensor to register the armature acceleration. The velocity and displacement of the moving parts can be obtained by integration of the acceleration results. The armature movement of permanent magnet linear actuator is acquired using this technique. The results are analyzed and the performance of the supposed approach is compared with the most commonly used experimental setup where the displacement of the armature vs. time is measured instead of its acceleration.

Keywords: Dynamic characteristics, dynamic simulation, linearactuators.

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Authors: Oktay Nusratov, Ramin Rzaev, Aydin Goyushov

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Fuzzy inference method based approach to the forming of modular intellectual system of assessment the quality of communication services is proposed. Developed under this approach the basic fuzzy estimation model takes into account the recommendations of the International Telecommunication Union in respect of the operation of packet switching networks based on IPprotocol. To implement the main features and functions of the fuzzy control system of quality telecommunication services it is used multilayer feedforward neural network.

Keywords: Quality of communication, IP-telephony, Fuzzy set, Fuzzy implication, Neural network.

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Authors: Alireza Tavakolinia

Abstract:

In order to understand the role of the injured party's fault in dividing liability, we studied its historical background. In common law, the traditional contributory negligence rule was a complete defense. Then the legislature and judicial procedure modified that rule to one of apportionment. In Islamic law, too, the Action rule was at first used when the injured party was the sole cause, but jurists expanded the scope of this rule, so this rule was used in cases where both the injured party's fault and that of the other party are involved. There are some popular approaches for apportionment of damages. Some common law countries like Britain had chosen ‘the causal potency approach’ and ‘fixed apportionment’. Islamic countries like Iran have chosen both ‘the relative blameworthiness’ and ‘equal apportionment’ approaches. The article concludes that both common law and Islamic law believe in the division of responsibility between a wrongdoer claimant and the defendant. In contrast, in the apportionment of responsibility, Islamic law mostly believes in equal apportionment that is way easier and saves time and money, but common law legal systems have chosen the causal potency approach which is more complicated than the rival approach but is fairer.

Keywords: Contributory negligence, common law, Islamic Law, Tort Law.

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Authors: Youssef Khmou, Said Safi

Abstract:

In this paper, we investigated the effect of real valued transformation of the spectral matrix of the received data for Angles Of Arrival estimation problem.  Indeed, the unitary transformation of Partial Propagator (UPP) for narrowband sources is proposed and applied on Uniform Linear Array (ULA).

Monte Carlo simulations proved the performance of the UPP spectrum comparatively with Forward Backward Partial Propagator (FBPP) and Unitary Propagator (UP). The results demonstrates that when some of the sources are fully correlated and closer than the Rayleigh angular limit resolution of the broadside array, the UPP method outperforms the FBPP in both of spatial resolution and complexity.

Keywords: DOA, Uniform Linear Array, Narrowband, Propagator, Real valued transformation, Subspace, Unitary Operator.

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Authors: D. Korsacilar, C. Atas

Abstract:

In this study, first thermoplastic composite materials /plates that have high ballistic impact resistance were produced. For this purpose, the thermoplastic prepreg and the vacuum bagging technique were used to produce a composite material. Thermoplastic prepregs (resin-impregnated fiber) that are supplied ready to be used, namely high-density polyethylene (HDPE) was chosen as matrix and unidirectional glass fiber was used as reinforcement. In order to compare the fiber configuration effect on mechanical properties, unidirectional and biaxial prepregs were used. Then the microstructural properties of the composites were investigated with scanning electron microscopy (SEM) analysis. Impact properties of the composites were examined by Charpy impact test and tensile mechanical tests and then the effects of ultraviolet irradiation were investigated on mechanical performance.

Keywords: Ballistic, Composite, Thermoplastic.

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Authors: Samwel Boaz Otieno, Fred Were, Ephantus Kabiru, Kaunda Waza

Abstract:

A study was done to establish determinants of selenium intake in a high HIV prevalence fishing community in the Pala Bondo district, Kenya. It was established that most of the respondents (61%) were small holder Farmers and Fishermen {χ² (1, N=386) p<0.000}, and that most of them (91.2%) had up to college level education {χ².(1, N=386) p<0.000}, while the number of males and females were not significantly different {χ (1, N=386) p=0.263} and 83.5% of respondents were married {χ² (1, N=386) p=0.000}. The study showed that adults take on average 2.68 meals a day (N=382, SD=0.603), while children take 3.02 meals (N=386, SD=1.031) a day, and that in most households (82.6%) food is prepared by the women {χ² (1, N=386) p=0.000} and further that 50% of foods eaten in that community are purchased {χ² (1, N=386)=0.1818, p=0.6698}. The foods eaten by 75.2% of the respondents were Oreochromis niloticus, Lates niloticus, and Sorghum bicolour, 64.1% vegetables and that both children and adults eat same types of food, and further that traditional foods which have become extinct are mainly vegetables (46%). The study established that selenium levels in foods eaten in Pala sub-locations varies with traditional vegetables having higher levels of selenium; for example, Laurnea cornuta (148.5 mg/kg), Cleome gynandra (121.5 mg/kg), Vignia ungulata (21.97 mg/kg), while Rastrineobola argentea (51 mg/kg), Lates niloticus (0), Oreochromis niloticus (0) Sorgum bicolour (19.97 mg/kg), and Sorgum bicolour (0). The study showed that there is an inverse relationship between foods eaten and selenium levels {RR=1.21, p=0.000}, with foods eaten by 75.2% of respondents (Oreochromis niloticus/Lates niloticus) having no detectable selenium. The four soil types identified in the study area had varying selenium levels with pleat loam (13.3 mg/kg), sandy loam (10.7 mg/kg), clay (2.8 mg/kg) and loam (4.8 mg/kg). It was concluded from this study that for the foods eaten by most of the respondents the selenium levels were below Daily Reference Intake.

Keywords: Determinants, HIV, food, fishing, selenium.

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Authors: Antônio P. de Araújo Neto, Ruy D. A. da Silva Neto, Juliana R. de Souza, Salete K. P. de Medeiros, João T. N. de Medeiros

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The tribological test with Pin-On-Disc configuration measures friction and wear properties in dry or lubricated sliding surfaces of a variety of materials and coatings. Polymeric matrix composites loaded with mineral filler were used, 1%, 3%, 10%, 30%, and 50% mass percentage of filler, to reduce the material cost by using mineral tailings. Using a pin-on-disc tribometer to quantify coefficient of friction and wear resistance of the specimens. The parameters known to performing the test were 300 rpm rotation, normal load of 16N and duration of 33.5 minutes. The composite with 10% mineral filler performed better, considering that the wear resistance was good when compared to the other compositions and an average low coefficient of friction, in the order of μ ≤ 0.15.

Keywords: Microcomposites, microparticles tailings of scheelite, PTFE, tribology.

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Authors: Nishant Rodrigues, Nicole Spanedda, Chilukuri K. Mohan, Arindam Chakraborty

Abstract:

A crucial objective in quantum chemistry is the computation of the energy levels of chemical systems. This task requires electron-repulsion integrals as inputs and the steep computational cost of evaluating these integrals poses a major numerical challenge in efficient implementation of quantum chemical software. This work presents a moment-based machine learning approach for the efficient evaluation of electron-repulsion integrals. These integrals were approximated using linear combinations of a small number of moments. Machine learning algorithms were applied to estimate the coefficients in the linear combination. A random forest approach was used to identify promising features using a recursive feature elimination approach, which performed best for learning the sign of each coefficient, but not the magnitude. A neural network with two hidden layers was then used to learn the coefficient magnitudes, along with an iterative feature masking approach to perform input vector compression, identifying a small subset of orbitals whose coefficients are sufficient for the quantum state energy computation. Finally, a small ensemble of neural networks (with a median rule for decision fusion) was shown to improve results when compared to a single network.

Keywords: Quantum energy calculations, atomic orbitals, electron-repulsion integrals, ensemble machine learning, random forests, neural networks, feature extraction.

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