Search results for: Radiative Heat Transfer
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1926

Search results for: Radiative Heat Transfer

636 Optimal Control of Piezo-Thermo-Elastic Beams

Authors: Marwan Abukhaled, Ibrahim Sadek

Abstract:

This paper presents the vibrations suppression of a thermoelastic beam subject to sudden heat input by a distributed piezoelectric actuators. An optimization problem is formulated as the minimization of a quadratic functional in terms of displacement and velocity at a given time and with the least control effort. The solution method is based on a combination of modal expansion and variational approaches. The modal expansion approach is used to convert the optimal control of distributed parameter system into the optimal control of lumped parameter system. By utilizing the variational approach, an explicit optimal control law is derived and the determination of the corresponding displacement and velocity is reduced to solving a set of ordinary differential equations.

Keywords: Optimal control, Thermoelastic beam, variational approach, modal expansion approach

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635 Stabilization Technique for Multi-Inputs Voltage Sense Amplifiers in Node Sharing Converters

Authors: Sanghoon Park, Ki-Jin Kim, Kwang-Ho Ahn

Abstract:

This paper discusses the undesirable charge transfer through the parasitic capacitances of the input transistors in a multi-inputs voltage sense amplifier. Its intrinsic rail-to-rail voltage transitions at the output nodes inevitably disturb the input sides through the capacitive coupling between the outputs and inputs. Then, it can possible degrade the stabilities of the reference voltage levels. Moreover, it becomes more serious in multi-channel systems by altering them for other channels, and so degrades the linearity of the overall systems. In order to alleviate the internal node voltage transition, the internal node stabilization techniques are proposed. It achieves 45% and 40% improvements for node stabilization and input referred disturbance, respectively.

Keywords: Voltage sense amplifier, multi-inputs, voltage transition, node stabilization, and biasing circuits.

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634 Conjugate Free Convection in a Square Cavity Filled with Nanofluid and Heated from Below by Spatial Wall Temperature

Authors: Ishak Hashim, Ammar Alsabery

Abstract:

The problem of conjugate free convection in a square cavity filled with nanofluid and heated from below by spatial wall temperature is studied numerically using the finite difference method. Water-based nanofluid with copper nanoparticles are chosen for the investigation. Governing equations are solved over a wide range of nanoparticle volume fraction (0 ≤ φ ≤ 0.2), wave number ((0 ≤ λ ≤ 4) and thermal conductivity ratio (0.44 ≤ Kr ≤ 6). The results presented for values of the governing parameters in terms of streamlines, isotherms and average Nusselt number. It is found that the flow behavior and the heat distribution are clearly enhanced with the increment of the non-uniform heating.

Keywords: Conjugate free convection, nanofluid, spatial temperature.

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633 An Active Rectifier with Time-Domain Delay Compensation to Enhance the Power Conversion Efficiency

Authors: Shao-Ku Kao

Abstract:

This paper presents an active rectifier with time-domain delay compensation to enhance the efficiency. A delay calibration circuit is designed to convert delay time to voltage and adaptive control on/off delay in variable input voltage. This circuit is designed in 0.18 mm CMOS process. The input voltage range is from 2 V to 3.6 V with the output voltage from 1.8 V to 3.4 V. The efficiency can maintain more than 85% when the load from 50 Ω ~ 1500 Ω for 3.6 V input voltage. The maximum efficiency is 92.4 % at output power to be 38.6 mW for 3.6 V input voltage.

Keywords: Wireless power transfer, active diode, delay compensation, time to voltage converter, PCE.

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632 Delay Specific Investigations on QoS Scheduling Schemes for Real-Time Traffic in Packet Switched Networks

Authors: P.S.Prakash, S.Selvan

Abstract:

Packet switched data network like Internet, which has traditionally supported throughput sensitive applications such as email and file transfer, is increasingly supporting delay-sensitive multimedia applications such as interactive video. These delaysensitive applications would often rather sacrifice some throughput for better delay. Unfortunately, the current packet switched network does not offer choices, but instead provides monolithic best-effort service to all applications. This paper evaluates Class Based Queuing (CBQ), Coordinated Earliest Deadline First (CEDF), Weighted Switch Deficit Round Robin (WSDRR) and RED-Boston scheduling schemes that is sensitive to delay bound expectations for variety of real time applications and an enhancement of WSDRR is proposed.

Keywords: QoS, Delay-sensitive, Queuing delay, Scheduling

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631 Metallographic Analysis of Laser and Mechanically Formed HSLA Steel

Authors: L.C. Kgomari, R.K.K.Mbaya

Abstract:

This research was conducted to develop a correlation between microstructure of HSLA steel and the mechanical properties that occur as a result of both laser and mechanical forming processes of the metal. The technique of forming flat metals by applying laser beams is a relatively new concept in the manufacturing industry. However, the effects of laser energy on the stability of metal alloy phases have not yet been elucidated in terms of phase transformations and microhardness. In this work, CO2 laser source was used to irradiate the surface of a flat metal then the microstructure and microhardness of the metal were studied on the formed specimen. The extent to which the microstructure changed depended on the heat inputs of up to 1000 J/cm2 with cooling rates of about 4.8E+02 K/s. Experimental results revealed that the irradiated surface of a HSLA steel had transformed to austenitic structure during the heating process.

Keywords: Laser, Forming, Microstructure

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630 Digital Paradoxes in Learning Theories

Authors: Marcello Bettoni

Abstract:

As a learning theory tries to borrow from science a framework to found its method, it shows paradoxes and paralysing contraddictions. This results, on one hand, from adopting a learning/teaching model as it were a mere “transfer of data" (mechanical learning approach), and on the other hand from borrowing the complexity theory (an indeterministic and non-linear model), that risks to vanish every educational effort. This work is aimed at describing existing criticism, unveiling the antinomic nature of such paradoxes, focussing on a view where neither the mechanical learning perspective nor the chaotic and nonlinear model can threaten and jeopardize the educational work. Author intends to go back over the steps that led to these paradoxes and to unveil their antinomic nature. Actually this could serve the purpose to explain some current misunderstandings about the real usefulness of Ict within the youth-s learning process and growth.

Keywords: Antinomy, complexity, Leibniz, paradox

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629 Application of the Data Distribution Service for Flexible Manufacturing Automation

Authors: Marco Ryll, Svetan Ratchev

Abstract:

This paper discusses the applicability of the Data Distribution Service (DDS) for the development of automated and modular manufacturing systems which require a flexible and robust communication infrastructure. DDS is an emergent standard for datacentric publish/subscribe middleware systems that provides an infrastructure for platform-independent many-to-many communication. It particularly addresses the needs of real-time systems that require deterministic data transfer, have low memory footprints and high robustness requirements. After an overview of the standard, several aspects of DDS are related to current challenges for the development of modern manufacturing systems with distributed architectures. Finally, an example application is presented based on a modular active fixturing system to illustrate the described aspects.

Keywords: Flexible Manufacturing, Publish/Subscribe, Plug & Produce.

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628 Climatic Range for Comfort Evaporative Cooling

Authors: Zahra Ghiabaklou

Abstract:

This paper presents the climatic range calculations for comfort evaporative cooling for Tehran. In this study the minimum climatic conditions required to achieve an appropriate comfort zone will be presented. Physiologically uncomfortable conditions in arid climates are mainly caused by the extreme heat and dryness. Direct evaporative cooling adds moisture to the air stream until the air stream is close to saturation. The dry bulb temperature is reduced, while the wet bulb temperature stays the same. Evaporative cooling is economical, effective, environmentally friendly, and healthy. Comfort cooling by direct evaporative cooling (passive or fan forced) in the 35. 41 N (such as Tehran) latitude requires design wet-bulb temperature not over 25.4 C. Evaporative cooling outside this limit cannot achieve the required 26.7 ET, and is recommended for relief cooling only.

Keywords: Evaporative cooling, Comfort temperature, Climaticdesign, Comfort cooling

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627 HIV Modelling - Parallel Implementation Strategies

Authors: Dimitri Perrin, Heather J. Ruskin, Martin Crane

Abstract:

We report on the development of a model to understand why the range of experience with respect to HIV infection is so diverse, especially with respect to the latency period. To investigate this, an agent-based approach is used to extract highlevel behaviour which cannot be described analytically from the set of interaction rules at the cellular level. A network of independent matrices mimics the chain of lymph nodes. Dealing with massively multi-agent systems requires major computational effort. However, parallelisation methods are a natural consequence and advantage of the multi-agent approach and, using the MPI library, are here implemented, tested and optimized. Our current focus is on the various implementations of the data transfer across the network. Three communications strategies are proposed and tested, showing that the most efficient approach is communication based on the natural lymph-network connectivity.

Keywords: HIV, Immune modelling, MPI, Parallelisation.

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626 Simulation of Polymeric Precursors Production from Wine Industrial Organic Wastes

Authors: Tanapoom Phuncharoen, Tawiwat Sriwongsa, Kanita Boonruang, Apichit Svang-ariyaskul

Abstract:

The production of Dimethyl acetal, Isovaleradehyde and Pyridine were simulated using Aspen Plus simulation. Upgrading cleaning water from wine industrial production is the main objective of the project. The winery waste composes of Acetaldehyde, Methanol, Ethyl Acetate, 1-propanol, water, iso-amyl alcohol and iso-butyl alcohol. The project is separated into three parts; separation, reaction, and purification. Various processes were considered to maximize the profit along with obtaining high purity and recovery of each component with optimum heat duty. The results show a significant value of the product with purity more than 75% and recovery over 98%.

Keywords: Dimethyl acetal, Pyridine, wine, Aspen Plus, Isovaleradehyde, polymeric precursors.

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625 System Reduction Using Modified Pole Clustering and Modified Cauer Continued Fraction

Authors: Jay Singh, C. B. Vishwakarma, Kalyan Chatterjee

Abstract:

A mixed method by combining modified pole clustering technique and modified cauer continued fraction is proposed for reducing the order of the large-scale dynamic systems. The denominator polynomial of the reduced order model is obtained by using modified pole clustering technique while the coefficients of the numerator are obtained by modified cauer continued fraction. This method generated 'k' number of reduced order models for kth order reduction. The superiority of the proposed method has been elaborated through numerical example taken from the literature and compared with few existing order reduction methods.

Keywords: Modified Pole Clustering, Modified Cauer Continued Fraction, Order Reduction, Stability, Transfer Function.

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624 Comparative Forensic Analysis of Lipsticks Using Thin Layer Chromatography and Gas Chromatography

Authors: M. O. Ezegbogu, H. B. Osadolor

Abstract:

Lipsticks constitute a significant source of transfer evidence, and can, therefore, provide corroborative or inclusionary evidence in criminal investigation. This study aimed to determine the uniqueness and persistence of different lipstick smears using Thin Layer Chromatography (TLC), and Gas Chromatography with a Flame Ionisation Detector (GC-FID). In this study, we analysed lipstick smears retrieved from tea cups exposed to the environment for up to four weeks. The n-alkane content of each sample was determined using GC-FID, while TLC was used to determine the number of bands, and retention factor of each band per smear. This study shows that TLC gives more consistent results over a 4-week period than GC-FID. It also proposes a maximum exposure time of two weeks for the analysis of lipsticks left in the open using GC-FID. Finally, we conclude that neither TLC nor GC-FID can distinguish lipstick evidence recovered from hypothetical crime scenes.

Keywords: Forensic science, chromatography, identification, lipstick.

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623 Sfard’s Commognitive Framework as a Method of Discourse Analysis in Mathematics

Authors: Dong-Joong Kim, Sangho Choi, Woong Lim

Abstract:

This paper discusses Sfard’s commognitive approach and provides an empirical study as an example to illustrate the theory as method. Traditionally, research in mathematics education focused on the acquisition of mathematical knowledge and the didactic process of knowledge transfer. Through attending to a distinctive form of language in mathematics, as well as mathematics as a discursive subject, alternative views of making meaning in mathematics have emerged; these views are therefore “critical,” as in critical discourse analysis. The commognitive discourse analysis method has the potential to bring more clarity to our understanding of students’ mathematical thinking and the process through which students are socialized into school mathematics.

Keywords: Commognitive framework, discourse analysis, mathematical discourse, mathematics education.

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622 CFD Simulation of Dense Gas Extraction through Polymeric Membranes

Authors: Azam Marjani, Saeed Shirazian

Abstract:

In this study is presented a general methodology to predict the performance of a continuous near-critical fluid extraction process to remove compounds from aqueous solutions using hollow fiber membrane contactors. A comprehensive 2D mathematical model was developed to study Porocritical extraction process. The system studied in this work is a membrane based extractor of ethanol and acetone from aqueous solutions using near-critical CO2. Predictions of extraction percentages obtained by simulations have been compared to the experimental values reported by Bothun et al. [5]. Simulations of extraction percentage of ethanol and acetone show an average difference of 9.3% and 6.5% with the experimental data, respectively. More accurate predictions of the extraction of acetone could be explained by a better estimation of the transport properties in the aqueous phase that controls the extraction of this solute.

Keywords: Solvent extraction, Membrane, Mass transfer, Densegas, Modeling

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621 Passive Cooling of Building by using Solar Chimney

Authors: Insaf Mehani, N. Settou

Abstract:

Natural ventilation is an important means to improve indoor thermal comfort and reduce the energy consumption. A solar chimney system is an enhancing natural draft device, which uses solar radiation to heat the air inside the chimney, thereby converting the thermal energy into kinetic energy. The present study considered some parameters such as chimney width and solar intensity, which were believed to have a significant effect on space ventilation. Fluent CFD software was used to predict buoyant air flow and flow rates in the cavities. The results were compared with available published experimental and theoretical data from the literature. There was an acceptable trend match between the present results and the published data for the room air change per hour, ACH. Further, it was noticed that the solar intensity has a more significant effect on ACH.

Keywords: Solar chimney, numerical simulation

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620 Research and Development of a Biomorphic Robot Driven by Shape Memory Alloys

Authors: Y.J. Lai, H.Y. Peng, M.W. Wu, J. Shaw

Abstract:

In this study, we used shape memory alloys as actuators to build a biomorphic robot which can imitate the motion of an earthworm. The robot can be used to explore in a narrow space. Therefore we chose shape memory alloys as actuators. Because of the small deformation of a wire shape memory alloy, spiral shape memory alloys are selected and installed both on the X axis and Y axis (each axis having two shape memory alloys) to enable the biomorphic robot to do reciprocating motion. By the mechanism we designed, the robot can increase the distance as it moves in a duty cycle. In addition, two shape memory alloys are added to the robot head for controlling right and left turns. By sending pulses through the I/O card from the controller, the signals are then amplified by a driver to heat the shape memory alloys in order to make the SMA shrink to pull the mechanism to move.

Keywords: Biomorphic Robot, Shape Memory Alloy.

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619 Synthesis of Sterile and Pyrogen Free Biogenic Magnetic Nanoparticles: Biotechnological Potential of Magnetotactic Bacteria for Production of Nanomaterials

Authors: Saeid Ghorbanzadeh-Mashkani, Parisa Tajer-Mohammad-Ghazvini, Ahmad Nozad-Golikand, Rouha Kasra-Kermanshahi, Mohammad-Reza Davarpanah

Abstract:

Today, biogenic magnetite nanoparticles among magnetic nanoparticles have unique attracted attention because of their magnetic characteristics and potential applications in various fields such as therapeutic and diagnostic. A well known example of these biogenic nanoparticles is magnetosomes of magnetotactic bacteria. In this research, we used two different types of technique for the isolation and purification of magnetosome nanoparticles from the isolated magnetotactic bacterial cells, heat-alkaline treatment and sonication. Also we evaluated pyrogen content and sterility of synthesized the isolated individual magnetosome by the Limulus Amoebocyte Lysate test and direct impedimetric method respectively.

Keywords: Biogenic magnetic nanoparticles, Magnetosome, Magnetotactic bacteria, Nanobiotechnology

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618 Identifying Business Incubators Based on Their Real Activities: Evidence from China

Authors: Lu Wei, Yunhao Zhu, Ping Deng, Wentao Yu

Abstract:

Past literature on business incubators distinguished incubators based on their mission statements. However, more and more mission statements become a slogan rather than a reality. It is therefore more appropriate to identify business incubators based on their real activities, rather than the missions they declared. With a sample of technology business incubators (TBIs) in China, we try to investigate business incubators’ real activities by examining the incubation efficiency along the following five dimensions, i.e., survival of new ventures, technology transfer, local economic growth, job creation, and profit generation. Furthermore, we identified six types of business incubators. The results indicate that generally Chinese TBIs have a greater preference for acquiring profits over other dimensions. 

Keywords: Business incubators, mission statements, real activities, incubation efficiency, technology business incubators, China.

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617 Combined Effect of Heat Stimulation and Delay Addition of Superplasticizer with Slag on Fresh and Hardened Property of Mortar

Authors: Antoni Wibowo, Harry Pujianto, Dewi Retno Sari Saputro

Abstract:

The stock market can provide huge profits in a relatively short time in financial sector; however, it also has a high risk for investors and traders if they are not careful to look the factors that affect the stock market. Therefore, they should give attention to the dynamic fluctuations and movements of the stock market to optimize profits from their investment. In this paper, we present a nonlinear autoregressive exogenous model (NARX) to predict the movements of stock market; especially, the movements of the closing price index. As case study, we consider to predict the movement of the closing price in Indonesia composite index (IHSG) and choose the best structures of NARX for IHSG’s prediction.

Keywords: NARX, prediction, stock market, time series.

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616 Stego Machine – Video Steganography using Modified LSB Algorithm

Authors: Mritha Ramalingam

Abstract:

Computer technology and the Internet have made a breakthrough in the existence of data communication. This has opened a whole new way of implementing steganography to ensure secure data transfer. Steganography is the fine art of hiding the information. Hiding the message in the carrier file enables the deniability of the existence of any message at all. This paper designs a stego machine to develop a steganographic application to hide data containing text in a computer video file and to retrieve the hidden information. This can be designed by embedding text file in a video file in such away that the video does not loose its functionality using Least Significant Bit (LSB) modification method. This method applies imperceptible modifications. This proposed method strives for high security to an eavesdropper-s inability to detect hidden information.

Keywords: Data hiding, LSB, Stego machine, VideoSteganography

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615 A Hybrid Method for Determination of Effective Poles Using Clustering Dominant Pole Algorithm

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

Abstract:

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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614 Analyzing and Comparing the Hot-spot Thermal Models of HV/LV Prefabricated and Outdoor Oil-Immersed Power Transformers

Authors: Ali Mamizadeh, Ires Iskender

Abstract:

The most important parameter in transformers life expectancy is the hot-spot temperature level which accelerates the rate of aging of the insulation. The aim of this paper is to present thermal models for transformers loaded at prefabricated MV/LV transformer substations and outdoor situations. The hot-spot temperature of transformers is studied using their top-oil temperature rise models. The thermal models proposed for hot-spot and top-oil temperatures of different operating situations are compared. Since the thermal transfer is different for indoor and outdoor transformers considering their operating conditions, their hot-spot thermal models differ from each other. The proposed thermal models are verified by the results obtained from the experiments carried out on a typical 1600 kVA, 30 /0.4 kV, ONAN transformer for both indoor and outdoor situations.

Keywords: Hot-spot Temperature, Dynamic Thermal Model, MV/LV Prefabricated, Oil Immersed Transformers

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613 Induction Heating Process Design Using Comsol® Multiphysics Software Version 4.2a

Authors: K. Djellabi, M. E. H. Latreche

Abstract:

Induction heating computer simulation is a powerful tool for process design and optimization, induction coil design, equipment selection, as well as education and business presentations. The authors share their vast experience in the practical use of computer simulation for different induction heating and heat treating processes. In this paper treated with mathematical modeling and numerical simulation of induction heating furnaces with axisymmetric geometries for the numerical solution, we propose finite element methods combined with boundary (FEM) for the electromagnetic model using COMSOL® Multiphysics Software. Some numerical results for an industrial furnace are shown with high frequency.

Keywords: Numerical methods, Induction furnaces, Induction Heating, Finite element method, Comsol Multiphysics software.

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612 Bi-Lateral Comparison between NIS-Egypt and NMISA-South Africa for the Calibration of an Optical Time Domain Reflectometer

Authors: Osama Terra, Mariesa Nel, Hatem Hussein

Abstract:

Calibration of Optical Time Domain Reflectometer (OTDR) has a crucial role for the accurate determination of fault locations and the accurate calculation of loss budget of long-haul optical fibre links during installation and repair. A comparison has been made between the Egyptian National Institute for Standards (NIS-Egypt) and the National Metrology institute of South Africa (NMISA-South Africa) for the calibration of an OTDR. The distance and the attenuation scales of a transfer OTDR have been calibrated by both institutes using their standards according to the standard IEC 61746-1 (2009). The results of this comparison have been compiled in this report.

Keywords: OTDR calibration, recirculating loop, concatenated method, standard fibre.

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611 Risk Quantification for Tunnel Excavation Process

Authors: J. Šejnoha, D. Jarušková, O. Špačková, E. Novotná

Abstract:

Construction of tunnels is connected with high uncertainty in the field of costs, construction period, safety and impact on surroundings. Risk management became therefore a common part of tunnel projects, especially after a set of fatal collapses occurred in 1990's. Such collapses are caused usually by combination of factors that can be divided into three main groups, i.e. unfavourable geological conditions, failures in the design and planning or failures in the execution. This paper suggests a procedure enabling quantification of the excavation risk related to extraordinary accidents using FTA and ETA tools. It will elaborate on a common process of risk analysis and enable the transfer of information and experience between particular tunnel construction projects. Further, it gives a guide for designers, management and other participants, how to deal with risk of such accidents and how to make qualified decisions based on a probabilistic approach.

Keywords: risk quantification, tunnel collapse, ETA, FTA, geotechnical risk

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610 What Managers Think of Informal Networks and Knowledge Sharing by Means of Personal Networking?

Authors: Mahmood Q.K. Ghaznavi, Martin Perry, Paul Toulson, Keri Logan

Abstract:

The importance of nurturing, accumulating, and efficiently deploying knowledge resources through formal structures and organisational mechanisms is well understood. Recent trends in knowledge management (KM) highlight that the effective creation and transfer of knowledge can also rely upon extra-organisational channels, such as, informal networks. The perception exists that the role of informal networks in knowledge creation and performance has been underestimated in the organisational context. Literature indicates that many managers fail to comprehend and successfully exploit the potential role of informal networks to create value for their organisations. This paper investigates: 1) whether managers share work-specific knowledge with informal contacts within and outside organisational boundaries; and 2) what do they think is the importance of this knowledge collaboration in their learning and work outcomes.

Keywords: Informal network, knowledge management, knowledge sharing, performance.

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609 Morphological Analysis of English L1-Persian L2 Adult Learners’ Interlanguage: From the Perspective of SLA Variation

Authors: Maassoumeh Bemani Naeini

Abstract:

Studies on interlanguage have long been engaged in describing the phenomenon of variation in SLA. Pursuing the same goal and particularly addressing the role of linguistic features, this study describes the use of Persian morphology in the interlanguage of two adult English-speaking learners of Persian L2. Taking the general approach of a combination of contrastive analysis, error analysis and interlanguage analysis, this study focuses on the identification and prediction of some possible instances of transfer from English L1 to Persian L2 across six elicitation tasks aiming to investigate whether any of contextual features may variably influence the learners’ order of morpheme accuracy in the areas of copula, possessives, articles, demonstratives, plural form, personal pronouns, and genitive cases.  Results describe the existence of task variation in the interlanguage system of Persian L2 learners.

Keywords: English L1, Interlanguage Analysis, Persian L2, SLA variation.

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608 Radiation Effects in the PVDF/Graphene Oxide Nanocomposites

Authors: Juliana V. Pereira, Adriana S. M. Batista, Jefferson P. Nascimento, Clascídia A. Furtado, Luiz O. Faria

Abstract:

Exposure to ionizing radiation has been found to induce changes in poly(vinylidene fluoride) (PVDF) homopolymers. The high dose gamma irradiation process induces the formation of C=C and C=O bonds in its [CH2-CF2]n main chain. The irradiation also provokes crosslinking and chain scission. All these radio-induced defects lead to changes in the PVDF crystalline structure. As a consequence, it is common to observe a decrease in the melting temperature (TM) and melting latent heat (LM) and some changes in its ferroelectric features. We have investigated the possibility of preparing nanocomposites of PVDF with graphene oxide (GO) through the radio-induction of molecular bonds. In this work, we discuss how the gamma radiation interacts with the nanocomposite crystalline structure.

Keywords: Gamma irradiation, grapheme oxide, nanocomposites, PVDF.

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607 Ab Initio Molecular Dynamics Simulations of Furfural at the Liquid-Solid Interface

Authors: Sanwu Wang, Hongli Dang, Wenhua Xue, Darwin Shields, Xin Liu, Friederike C. Jentoft, Daniel E. Resasco

Abstract:

The bonding configuration and the heat of adsorption of a furfural molecule on the Pd(111) surface were determined by ab initio density-functional-theory calculations. The dynamics of pure liquid water, the liquid-solid interface formed by liquid water and the Pd(111) surface, as well as furfural at the water-Pd interface, were investigated by ab initio molecular dynamics simulations at finite temperatures. Calculations and simulations suggest that the bonding configurations at the water-Pd interface promote decarbonylation of furfural.

Keywords: Ab initio molecular dynamics simulations, bio-fuels, density functional theory, liquid-solid interfaces.

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