Search results for: pile-soil structure interaction
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 10790

Search results for: pile-soil structure interaction

10340 Influence of Substitution on Structure of Tin Lantanium Pyrochlore La₂₋ₓSrₓSn₂O₇₋δ(0 ≤ x ≤ 0.25) Solid-Oxide Fuel Cells

Authors: Bounar Nedjemeddine

Abstract:

Materials with the pyrochlore lattice structure have attracted much recent attention due to their wide applications in ceramic thermal barrier coatings, high-permittivity dielectrics, and potential solid electrolytes in solid-oxide fuel cells. The work described in this paper is devoted to the synthesis and characterization of a pyrochlore structure based on lanthanum (La₂O₃) and tin (SnO₂) oxides of general formula La₂Sn₂O₇, substituted by Sr at the site La. Their structures were determined from X-ray powder diffraction using CELFER analysis. All the compositions present the space group Fd-3m. The substitution of La by Sr in the La₂Sn₂O₇ compound causes a variation of the cell parameters. The difference in charge between La³⁺ and Sr²⁺ and the difference in size cause the cell parameters to decrease from a=10.7165 A° to a=10.6848 A° for the substitution rates (x = 0.05, 0.1, 0.15 ...), which leads to a decrease in the volume of the mesh. For a substitution rate x = 0.25, there is an increase in the cell parameters (a=10.7035A°), which can be explained by a competitiveness of the size effect and the presence of a gap in the structure which go in the opposite direction.

Keywords: solid-oxide fuel cells, structure, pyrochlore, X-ray diffraction

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10339 A Relational Approach to Adverb Use in Interactions

Authors: Guillaume P. Fernandez

Abstract:

Individual language use is a matter of choice in particular interactions. The paper proposes a conceptual and theoretical framework with methodological consideration to develop how language produced in dyadic relations is to be considered and situated in the larger social configuration the interaction is embedded within. An integrated and comprehensive view is taken: social interactions are expected to be ruled by a normative context, defined by the chain of interdependences that structures the personal network. In this approach, the determinants of discursive practices are not only constrained by the moment of production and isolated from broader influences. Instead, the position the individual and the dyad have in the personal network influences the discursive practices in a twofold manner: on the one hand, the network limits the access to linguistic resources available within it, and, on the other hand, the structure of the network influences the agency of the individual, by the social control inherent to particular network characteristics. Concretely, we investigate how and to what extent consistent ego is from one interaction to another in his or her use of adverbs. To do so, social network analysis (SNA) methods are mobilized. Participants (N=130) are college students recruited in the french speaking part of Switzerland. The personal network of significant ones of each individual is created using name generators and edge interpreters, with a focus on social support and conflict. For the linguistic parts, respondents were asked to record themselves with five of their close relations. From the recordings, we computed an average similarity score based on the adverb used across interactions. In terms of analyses, two are envisaged: First, OLS regressions including network-level measures, such as density and reciprocity, and individual-level measures, such as centralities, are performed to understand the tenets of linguistic similarity from one interaction to another. The second analysis considers each social tie as nested within ego networks. Multilevel models are performed to investigate how the different types of ties may influence the likelihood to use adverbs, by controlling structural properties of the personal network. Primary results suggest that the more cohesive the network, the less likely is the individual to change his or her manner of speaking, and social support increases the use of adverbs in interactions. While promising results emerge, further research should consider a longitudinal approach to able the claim of causality.

Keywords: personal network, adverbs, interactions, social influence

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10338 OPEN-EmoRec-II-A Multimodal Corpus of Human-Computer Interaction

Authors: Stefanie Rukavina, Sascha Gruss, Steffen Walter, Holger Hoffmann, Harald C. Traue

Abstract:

OPEN-EmoRecII is an open multimodal corpus with experimentally induced emotions. In the first half of the experiment, emotions were induced with standardized picture material and in the second half during a human-computer interaction (HCI), realized with a wizard-of-oz design. The induced emotions are based on the dimensional theory of emotions (valence, arousal and dominance). These emotional sequences - recorded with multimodal data (mimic reactions, speech, audio and physiological reactions) during a naturalistic-like HCI-environment one can improve classification methods on a multimodal level. This database is the result of an HCI-experiment, for which 30 subjects in total agreed to a publication of their data including the video material for research purposes. The now available open corpus contains sensory signal of: video, audio, physiology (SCL, respiration, BVP, EMG Corrugator supercilii, EMG Zygomaticus Major) and mimic annotations.

Keywords: open multimodal emotion corpus, annotated labels, intelligent interaction

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10337 Pt Decorated Functionalized Acetylene Black as Efficient Cathode Material for Li Air Battery and Fuel Cell Applications

Authors: Rajashekar Badam, Vedarajan Raman, Noriyoshi Matsumi

Abstract:

Efficiency of energy converting and storage systems like fuel cells and Li-Air battery principally depended on oxygen reduction reaction (ORR) which occurs at cathode. As the kinetics of the ORR is very slow, it becomes the rate determining step. Exploring carbon substrates for enhancing the dispersion and activity of the metal catalyst and commercially viable simple preparation method is a very crucial area of research in the field of energy materials. Hence, many researchers made large number of carbon-based ORR materials today. But, there are hardly few studies on the effect of interaction between Pt-carbon and carbon-electrolyte on activity. In this work, we have prepared functionalized carbon-based Pt catalyst (Pt-FAB) with enhanced interfacial properties that lead to efficient ORR catalysis. The present work deals with a single-pot method to exfoliate and functionalized acetylene black with enhanced interaction with Pt as well as electrolyte. Acetylene black was functionalized and exfoliated using a facile single pot acid treatment method. The resulted FAB was further decorated with Pt-nano particles (Pt-np). The TEM images of Pt-FAB with uniformly decorated Pt-np of ~3 nm. Further, XPS studies of Pt 4f peak revealed that Pt0 peak was shifted by 0.4 eV in Pt-FAB compared to binding energy of typical Pt⁰ found in Pt/C. The shift can be ascribed to the modulation of electronic state and strong electronic interaction of Pt with carbon. Modulated electronic structure of Pt and strong electronic interaction of Pt with FAB enhances the catalytic activity and durability respectively. To understand the electrode electrolyte interface, electrochemical impedance spectroscopy was carried out. These measurements revealed that the charge transfer resistance of electrode to electrolyte for Pt-FAB is 10 times smaller than that of conventional Pt/C. The interaction with electrolyte helps reduce the interface boundaries, which in turn affects the overall catalytic performance of the electrode. Cyclic voltammetric measurements in 0.1M HClO₄ aq. at a potential scan rate of 50 mVs-1 was employed to evaluate electrochemical surface area (ECSA) of Pt. ECSA of Pt-FAB was found to be as high as 67.2 m²g⁻¹. The three-electrode system showed very high ORR catalytic activity. Mass activity at 0.9 V vs. RHE showed 460 A/g which is much higher than the DOE target values for the year 2020. Further, it showed enhanced performance by showing 723 mW/cm² of highest power density and 1006 mA/cm² of current density at 0.6 V in fuel cell single cell type configuration and 1030 mAhg⁻¹ of rechargeable capacity in Li air battery application. The higher catalytic activity can be ascribed to the improved interaction of FAB with Pt and electrolyte. The aforementioned results evince that Pt-FAB will be a promising cathode material for efficient ORR with significant cyclability for its application in fuel cells and Li-Air batteries. In conclusion, a disordered material was prepared from AB and was systematically characterized. The extremely high ORR activity and ease of preparation make it competent for replacing commercially available ORR materials.

Keywords: functionalized acetylene black, oxygen reduction reaction, fuel cells, Functionalized battery

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10336 Adsorption Behavior and Mechanism of Illite Surface under the Action of Different Surfactants

Authors: Xiuxia Sun, Yan Jin, Zilong Liu, Shiming Wei

Abstract:

As a critical mineral component of shale, illite is essential in oil exploration and development due to its surface hydration characteristics and action mechanism. This paper, starting from the perspective of the molecular structure of organic matter, uses molecular dynamics simulation technology to deeply explore the interaction mechanism between organic molecules and the illite surface. In the study, we thoroughly considered the forces such as van der Waals force, electrostatic force, and steric hindrance and constructed an illite crystal model covering C8-C18 modifiers. Subsequently, we systematically analyzed surfactants' adsorption behavior and hydration characteristics with different alkyl chain numbers, lengths, and concentrations on the illite surface. The simulation results show that surfactant molecules with shorter alkyl chains present a lateral monolayer or inclined double-layer arrangement on the illite surface, and these two arrangements may coexist under different concentration conditions. In addition, with the increase in the number of alkyl chains, the interlayer spacing of illite increases significantly. In contrast, the change in alkyl chain length has a limited effect on surface properties. It is worth noting that the change in functional group structure has a particularly significant effect on the wettability of the illite surface, and its influence even exceeds the change in the alkyl chain structure. This discovery gives us a new perspective on understanding and regulating the wetting properties. The results obtained are consistent with the XRD analysis and wettability experimental data in this paper, further confirming the reliability of the research conclusions. This study deepened our understanding of illite's hydration characteristics and mechanism. We provided new ideas and directions for the molecular design and application development of oilfield chemicals.

Keywords: illite, surfactant, hydration, wettability, adsorption

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10335 Seismic Response Control of 20-Storey Benchmark Building Using True Negative Stiffness Device

Authors: Asim Qureshi, R. S. Jangid

Abstract:

Seismic response control of structures is generally achieved by using control devices which either dissipate the input energy or modify the dynamic properties of structure.In this paper, the response of a 20-storey benchmark building supplemented by viscous dampers and Negative Stiffness Device (NSD) is assessed by numerical simulations using the Newmark-beta method. True negative stiffness is an adaptive passive device which assists the motion unlike positive stiffness. The structure used in this study is subjected to four standard ground motions varying from moderate to severe, near fault to far-field earthquakes. The objective of the present study is to show the effectiveness of the adaptive negative stiffness device (NSD and passive dampers together) relative to passive dampers alone. This is done by comparing the responses of the above uncontrolled structure (i.e., without any device) with the structure having passive dampers only and also with the structure supplemented with adaptive negative stiffness device. Various performance indices, top floor displacement, top floor acceleration and inter-storey drifts are used as comparison parameters. It is found that NSD together with passive dampers is quite effective in reducing the response of aforementioned structure relative to structure without any device or passive dampers only. Base shear and acceleration is reduced significantly by incorporating NSD at the cost of increased inter-storey drifts which can be compensated using the passive dampers.

Keywords: adaptive negative stiffness device, apparent yielding, NSD, passive dampers

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10334 Host-Guest Interaction in a Homestay Setting a Study Based on Homestays in Sabah and Sarawak, Malaysia

Authors: Lau Sing Yew

Abstract:

The purpose of this research is to investigate and analyse the host-guests interaction in a homestay setting with the sub context of cultural exchange and cultural differences between both parties. The research were carried out in Malaysia, specifically in the state of Sabah and Sarawak which are more well-known for its’ rural tourism and homestay programs. The research problem addressed here is on the suitability of the homestay setting as a platform for intercultural communication between the host and foreign tourists. The key issues that were discussed include ‘cultural representations’, ‘touristic representations’ and ‘social representations’ which contoured the image that tourists form about destinations and local communities while debating on the benefits and disbenefits of cultural exchange. These issues were deliberated through observation and interviews and it was found that the homestay setting in Malaysia though there are varied types available acts as a suitable platform to encourage intercultural interaction between tourists and local communities.

Keywords: homestay program, Malaysia, host-guest interactions, cultural representations

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10333 Quantum Chemical Calculations on Molecular Structure, Spectroscopy and Non-Linear Optical Properties of Some Chalcone Derivatives

Authors: Archana Gupta, Rajesh Kumar

Abstract:

The chemistry of chalcones has generated intensive scientific studies throughout the world. Especially, interest has been focused on the synthesis and biodynamic activities of chalcones. The blue light transmittance, excellent crystallizability and the two planar rings connected through a conjugated double bond show that chalcone derivatives are superior nonlinear organic compounds. 3-(2-Chloro-6-fluoro¬phen¬yl)-1-(2-thien¬yl) prop-2-en-1-one, 3-(2, 4- Dichlorophenyl) – 1 - (4-methylphenyl) – prop -2-en-1-one, (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one are some chalcone derivatives exhibiting non linear optical (NLO) properties. NLO materials have been extensively investigated in recent years as they are the key elements for photonic technologies of optical communication, optical interconnect oscillator, amplifier, frequency converter etc. Due to their high molecular hyperpolarizabilities, organic materials display a number of significant NLO properties. Experimental measurements and theoretical calculations on molecular hyperpolarizability β have become one of the key factors in the design of second order NLO materials. Theoretical determination of hyperpolarizability is quite useful both in understanding the relationship between the molecular structure and NLO properties. It also provides a guideline to experimentalists for the design and synthesis of organic NLO materials. Quantum-chemical calculations have made an important contribution to the understanding of the electronic polarization underlying the molecular NLO processes and the establishment of structure–property relationships. In the present investigation, the detailed vibrational analysis of some chalcone derivatives is taken up to understand the correlation of the charge transfer interaction and the NLO activity of the molecules based on density functional theory calculations. The vibrational modes contributing toward the NLO activity have been identified and analyzed. Rather large hyperpolarizability derived by theoretical calculations suggests the possible future use of these compounds for non-linear optical applications. The study suggests the importance of π - conjugated systems for non-linear optical properties and the possibility of charge transfer interactions. We hope that the results of the present study of chalcone derivatives are of assistance in development of new efficient materials for technological applications.

Keywords: hyperpolarizability, molecular structure, NLO material, quantum chemical calculations

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10332 Formation of Miniband Structure in Dimer Fibonacci GaAs/Ga1-XAlXAs Superlattices

Authors: Aziz Zoubir, Sefir Yamina, Djelti Redouan, Bentata Samir

Abstract:

The effect of a uniform electric field across multibarrier systems (GaAs/AlxGa1-xAs) is exhaustively explored by a computational model using exact Airy function formalism and the transfer-matrix technique. In the case of biased Dimer Fibonacci Height Barrier superlattices (DFHBSL) structure a strong reduction in transmission properties was observed and the width of the miniband structure linearly decreases with the increase of the applied bias. This is due to the confinement of the states in the miniband structure, which becomes increasingly important (Wannier-Stark effect).

Keywords: Dimer Fibonacci Height Barrier superlattices, singular extended states, exact Airy function, transfer matrix formalism

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10331 Influence of Some Psychological Factors on the Learning Gains of Distance Learners in Mathematics in Ibadan, Nigeria

Authors: Adeola Adejumo, Oluwole David Adebayo, Muraina Kamilu Olanrewaju

Abstract:

The purpose of this study was to investigate the influence of some psychological factors (i.e, school climate, parental involvement and classroom interaction) on the learning gains of university undergraduates in Mathematics in Ibadan, Nigeria. Three hundred undergraduates who are on open distance learning education programme in the University of Ibadan and thirty mathematics lecturers constituted the study’s sample. Both the independent and dependent variables were measured with relevant standardized instruments and the data obtained was analyzed using multiple regression statistical method. The instruments used were school climate scale, parental involvement scale and classroom interaction scale. Three research questions were answered in the study. The result showed that there was significant relationship between the three independent variables (school climate, parental involvement and classroom interaction) on the students’ learning gain in mathematics and that the independent variables both jointly and relatively contributed significantly to the prediction of students’ learning gain in mathematics. On the strength of these findings, the need to enhance the school climate, improve the parents’ involvement in the student’s education and encourage students’ classroom interaction were stressed and advocated.

Keywords: school climate, parental involvement, ODL, learning gains, mathematics

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10330 Hierarchical Control Structure to Control the Power Distribution System Components in Building Systems

Authors: Hamed Sarbazy, Zohre Gholipour Haftkhani, Ali Safari, Pejman Hosseiniun

Abstract:

Scientific and industrial progress in the past two decades has resulted in energy distribution systems based on power electronics, as an enabling technology in various industries and building management systems can be considered. Grading and standardization module power electronics systems and its use in a distributed control system, a strategy for overcoming the limitations of using this system. The purpose of this paper is to investigate strategies for scheduling and control structure of standard modules is a power electronic systems. This paper introduces the classical control methods and disadvantages of these methods will be discussed, The hierarchical control as a mechanism for distributed control structure of the classification module explains. The different levels of control and communication between these levels are fully introduced. Also continue to standardize software distribution system control structure is discussed. Finally, as an example, the control structure will be presented in a DC distribution system.

Keywords: application management, hardware management, power electronics, building blocks

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10329 The Influence of Residual Stress on Hardness and Microstructure in Railway Rails

Authors: Muhammet Emre Turan, Sait Özçelik, Yavuz Sun

Abstract:

In railway rails, residual stress was measured and the values of residual stress were associated with hardness and micro structure in this study. At first, three rails as one meter long were taken and residual stresses were measured by cutting method according to the EN 13674-1 standardization. In this study, strain gauge that is an electrical apparatus was used. During the cutting, change in resistance in rail gave us residual stress value via computer program. After residual stress measurement, Brinell hardness distribution were performed for head parts of rails. Thus, the relationship between residual stress and hardness were established. In addition to that, micro structure analysis was carried out by optical microscope. The results show that, the micro structure and hardness value was changed with residual stress.

Keywords: residual stress, hardness, micro structure, rail, strain gauge

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10328 The Structure of Asadi's Poem and Human Psyche in Garshasb-Nameh Based on Jung's Perspective

Authors: Shirin Ghasemi

Abstract:

The structure of Asadi’s poem in Garshasb-Nameh coordinates with the structure of human psyche based on Jung’s perspective. The poetic stories of Asadi in Garshasb-Nameh is contrasted to human psyche according to Jung’s view in psychology which indicated the similarity of poetic structure of stories of Garshasb-Nameh to analytical psychology of Jung. In fact, by studying the stories of this collection the reader travels with him and finds it consistent with the human psyche. To demonstrate this, the story of Jamshid marriage with Kuhrang’s daughter and the story of Garshasb marriage with King’s daughter are selected. These two stories illustrate the poetic structure and the human psyche based on Jung’s analytical psychology perspective.

Keywords: Asadi Tusi, Garshasb-Nameh, Jung, analytical psychology

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10327 Enhancing EFL Learners' Motivation and Classroom Interaction through Self-Disclosure in Moroccan Higher Education

Authors: Mohsine Jebbour

Abstract:

Motivation and classroom interaction are of prime significance for second/foreign language learning to take place effectively. Thus, a considerable amount of motivation and classroom interaction helps ensure students’ success in and continuation of learning the TL. One way to enhance students’ motivation and classroom interaction in the Moroccan EFL classroom then is through the use of self-disclosure. For the purposes of this study, self-disclosure has been defined as the verbal communication of positive personal information including opinions, feelings, experiences, family and friendship stories to classmates and teachers. This paper is meant to demonstrate that positive self-disclosure can serve as an effective tool for helping students develop favorable attitudes toward the EFL classroom (i.e., English courses, teacher of English, and classroom activities) and promoting their intrinsic motivation (IM to know and IM toward stimulation). A further objective is that since self-disclosure is reciprocal, when teachers of English reveal their personal information, students will uncover their personal matters in return. This will help ensure effective classroom participation, foster teacher-student communication, and encourage students to practice and hence improve their oral proficiency (i.e., the speaking skill). A questionnaire was used to collect data in this study. 164 undergraduate students (99 females and 65 males) from the department of English at the faculty of letters and humanities, Dher el Mehraz, Sidi Mohammed Ben Abd Allah University completed a questionnaire that assessed self-disclosure in relation to motivation (i.e., attitudes toward the learning situation and intrinsic motivation) and classroom interaction (i.e., teacher-student interaction, participation, and out-of-class communication) on a 1 to 5 scale with (1) Strongly Disagree and (5) Strongly Agree. The level of agreement on the positive dimension of self-disclosure was ranked first by the respondents. The hypothesis set at the very beginning of the study, which posited that positive self-disclosure is essential to enhancing motivation and classroom interaction in the EFL context, was confirmed. In this regard, the findings suggest that implementing self-disclosure in the Moroccan EFL classroom may serve as an effective tool to have positive affect of teacher, class and classroom activities. This in turn will encourage the learners to attend classes, enjoy the language learning activity, complete classroom assignments, participate in class discussions, and interact with their teachers and classmates. It is hoped that teachers benefit from the results of this study and hence encourage the use of positive self-disclosure to develop English language learning in the Moroccan context where opportunities of using English outside the classroom are limited.

Keywords: EFL classroom, classroom interaction, motivation, self-disclosure

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10326 Numerical Study of Wettability on the Triangular Micro-pillared Surfaces Using Lattice Boltzmann Method

Authors: Ganesh Meshram, Gloria Biswal

Abstract:

In this study, we present the numerical investigation of surface wettability on triangular micropillar surfaces by using a two-dimensional (2D) pseudo-potential multiphase lattice Boltzmann method with a D2Q9 model for various interaction parameters of the range varies from -1.40 to -2.50. Initially, simulation of the equilibrium state of a water droplet on a flat surface is considered for various interaction parameters to examine the accuracy of the present numerical model. We then imposed the microscale pillars on the bottom wall of the surface with different heights of the pillars to form the hydrophobic and superhydrophobic surfaces which enable the higher contact angle. The wettability of surfaces is simulated with water droplets of radius 100 lattice units in the domain of 800x800 lattice units. The present study shows that increasing the interaction parameter of the pillared hydrophobic surfaces dramatically reduces the contact area between water droplets and solid walls due to the momentum redirection phenomenon. Contact angles for different values of interaction strength have been validated qualitatively with the analytical results.

Keywords: contact angle, lattice boltzmann method, d2q9 model, pseudo-potential multiphase method, hydrophobic surfaces, wenzel state, cassie-baxter state, wettability

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10325 Predicting Aggregation Propensity from Low-Temperature Conformational Fluctuations

Authors: Hamza Javar Magnier, Robin Curtis

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There have been rapid advances in the upstream processing of protein therapeutics, which has shifted the bottleneck to downstream purification and formulation. Finding liquid formulations with shelf lives of up to two years is increasingly difficult for some of the newer therapeutics, which have been engineered for activity, but their formulations are often viscous, can phase separate, and have a high propensity for irreversible aggregation1. We explore means to develop improved predictive ability from a better understanding of how protein-protein interactions on formulation conditions (pH, ionic strength, buffer type, presence of excipients) and how these impact upon the initial steps in protein self-association and aggregation. In this work, we study the initial steps in the aggregation pathways using a minimal protein model based on square-well potentials and discontinuous molecular dynamics. The effect of model parameters, including range of interaction, stiffness, chain length, and chain sequence, implies that protein models fold according to various pathways. By reducing the range of interactions, the folding- and collapse- transition come together, and follow a single-step folding pathway from the denatured to the native state2. After parameterizing the model interaction-parameters, we developed an understanding of low-temperature conformational properties and fluctuations, and the correlation to the folding transition of proteins in isolation. The model fluctuations increase with temperature. We observe a low-temperature point, below which large fluctuations are frozen out. This implies that fluctuations at low-temperature can be correlated to the folding transition at the melting temperature. Because proteins “breath” at low temperatures, defining a native-state as a single structure with conserved contacts and a fixed three-dimensional structure is misleading. Rather, we introduce a new definition of a native-state ensemble based on our understanding of the core conservation, which takes into account the native fluctuations at low temperatures. This approach permits the study of a large range of length and time scales needed to link the molecular interactions to the macroscopically observed behaviour. In addition, these models studied are parameterized by fitting to experimentally observed protein-protein interactions characterized in terms of osmotic second virial coefficients.

Keywords: protein folding, native-ensemble, conformational fluctuation, aggregation

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10324 Productivity and Structural Design of Manufacturing Systems

Authors: Ryspek Usubamatov, Tan San Chin, Sarken Kapaeva

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Productivity of the manufacturing systems depends on technological processes, a technical data of machines and a structure of systems. Technology is presented by the machining mode and data, a technical data presents reliability parameters and auxiliary time for discrete production processes. The term structure of manufacturing systems includes the number of serial and parallel production machines and links between them. Structures of manufacturing systems depend on the complexity of technological processes. Mathematical models of productivity rate for manufacturing systems are important attributes that enable to define best structure by criterion of a productivity rate. These models are important tool in evaluation of the economical efficiency for production systems.

Keywords: productivity, structure, manufacturing systems, structural design

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10323 Electronic and Optical Properties of YNi4Si-Type DyNi4Si Compound: A Full Potential Study

Authors: Dinesh Kumar Maurya, Sapan Mohan Saini

Abstract:

A theoretical formalism to calculate the structural, electronic and optical properties of orthorhombic crystals from first principle calculations is described. This is applied first time to new YNi4Si-type DyNi4Si compound. Calculations are performed using full-potential augmented plane wave (FPLAPW) method in the framework of density functional theory (DFT). The Coulomb corrected local-spin density approximation (LSDA+U) in the self-interaction correction (SIC) has been used for exchange-correlation potential. Our optimized results of lattice parameters show good agreement to the previously reported experimental study. Analysis of the calculated band structure of DyNi4Si compound demonstrates their metallic character. We found Ni-3d states mainly contribute to density of states from -5.0 eV to the Fermi level while the Dy-f states peak stands tall in comparison to the small contributions made by the Ni-d and R-d states above Fermi level, which is consistent with experiment, in DNi4Si compound. Our calculated optical conductivity compares well with the experimental data and the results are analyzed in the light of band-to-band transitions. We also report the frequency-dependent refractive index n(ω) and the extinction coefficient k(ω) of the compound.

Keywords: band structure, density of states, optical properties, LSDA+U approximation, YNi4Si- type DyNi4Si compound

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10322 Analysis of One-Way and Two-Way FSI Approaches to Characterise the Flow Regime and the Mechanical Behaviour during Closing Manoeuvring Operation of a Butterfly Valve

Authors: M. Ezkurra, J. A. Esnaola, M. Martinez-Agirre, U. Etxeberria, U. Lertxundi, L. Colomo, M. Begiristain, I. Zurutuza

Abstract:

Butterfly valves are widely used industrial piping components as on-off and flow controlling devices. The main challenge in the design process of this type of valves is the correct dimensioning to ensure proper mechanical performance as well as to minimise flow losses that affect the efficiency of the system. Butterfly valves are typically dimensioned in a closed position based on mechanical approaches considering uniform hydrostatic pressure, whereas the flow losses are analysed by means of CFD simulations. The main limitation of these approaches is that they do not consider either the influence of the dynamics of the manoeuvring stage or coupled phenomena. Recent works have included the influence of the flow on the mechanical behaviour for different opening angles by means of one-way FSI approach. However, these works consider steady-state flow for the selected angles, not capturing the effect of the transient flow evolution during the manoeuvring stage. Two-way FSI modelling approach could allow overcoming such limitations providing more accurate results. Nevertheless, the use of this technique is limited due to the increase in the computational cost. In the present work, the applicability of FSI one-way and two-way approaches is evaluated for the analysis of butterfly valves, showing that not considering fluid-structure coupling involves not capturing the most critical situation for the valve disc.

Keywords: butterfly valves, fluid-structure interaction, one-way approach, two-way approach

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10321 Exploring Individual Decision Making Processes and the Role of Information Structure in Promoting Uptake of Energy Efficient Technologies

Authors: Rebecca J. Hafner, Daniel Read, David Elmes

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The current research applies decision making theory in order to address the problem of increasing uptake of energy-efficient technologies in the market place, where uptake is currently slower than one might predict following rational choice models. Specifically, in two studies we apply the alignable/non-alignable features effect and explore the impact of varying information structure on the consumers’ preference for standard versus energy efficient technologies. As researchers in the Interdisciplinary centre for Storage, Transformation and Upgrading of Thermal Energy (i-STUTE) are currently developing energy efficient heating systems for homes and businesses, we focus on the context of home heating choice, and compare preference for a standard condensing boiler versus an energy efficient heat pump, according to experimental manipulations in the structure of prior information. In Study 1, we find that people prefer stronger alignable features when options are similar; an effect which is mediated by an increased tendency to infer missing information is the same. Yet, in contrast to previous research, we find no effects of alignability on option preference when options differ. The advanced methodological approach used here, which is the first study of its kind to randomly allocate features as either alignable or non-alignable, highlights potential design effects in previous work. Study 2 is designed to explore the interaction between alignability and construal level as an explanation for the shift in attentional focus when options differ. Theoretical and applied implications for promoting energy efficient technologies are discussed.

Keywords: energy-efficient technologies, decision-making, alignability effects, construal level theory, CO2 reduction

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10320 Fabric Softener Deposition on Cellulose Nanocrystals and Cotton Fibers

Authors: Evdokia K. Oikonomou, Nikolay Christov, Galder Cristobal, Graziana Messina, Giovani Marletta, Laurent Heux, Jean-Francois Berret

Abstract:

Fabric softeners are aqueous formulations that contain ~10 wt. % double tailed cationic surfactants. Here, a formulation in which 50% surfactant was replaced with low quantities of natural guar polymers was developed. Thanks to the reduced surfactant quantity this product has less environmental impact while the guars presence was found to maintain the product’s performance. The objective of this work is to elucidate the effect of the guar polymers on the softener deposition and the adsorption mechanism on the cotton surface. The surfactants in these formulations are assembled into large distributed (0.1 – 1 µm) vesicles that are stable in the presence of guars and upon dilution. The effect of guars on the vesicles adsorption on cotton was first estimated by using cellulose nanocrystals (CNC) as a stand-in for cotton. The dispersion of CNC in water permits to follow the interaction between the vesicles, guars, and CNC in the bulk. It was found that guars enhance the deposition on CNC and that the vesicles are deposited intactly on the fibers driven by electrostatics. The mechanism of the vesicles/guars adsorption on cellulose fibers was identified by quartz crystal microbalance with dissipation monitoring. It was found that the guars increase the surfactant deposited quantity, in agreement with the results in the bulk. Also, the structure of the adsorbed surfactant on the fibers' surfaces (vesicle or bilayer) was influenced by the guars presence. Deposition studies on cotton fabrics were also conducted. Attenuated total reflection and scanning electron microscopy were used to study the effect of the polymers on this deposition. Finally, fluorescent microscopy was used to follow the adsorption of surfactant vesicles, labeled with a fluorescent dye, on cotton fabrics in water. It was found that, in the presence or not of polymers, the surfactant vesicles are adsorbed on fiber maintaining their vesicular structure in water (supported vesicular bilayer structure). The guars influence this process. However, upon drying the vesicles are transformed into bilayers and eventually wrap the fibers (supported lipid bilayer structure). This mechanism is proposed for the adsorption of vesicular conditioner on cotton fiber and can be affected by the presence of polymers.

Keywords: cellulose nanocrystals, cotton fibers, fabric softeners, guar polymers, surfactant vesicles

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10319 Electronic, Structure and Magnetic Properties of KXF3(X= Fe, Co, Mn, V) from Ab Initio Calculations

Authors: M. Ibrir, S. Berri, S. Lakel, D. Maouche And Y. Medkour

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We have performed first-principle calculations of the structural, electronic and magnetic properties of KFeF3, KCoF3, KMnF3, KVF3, using full-potential linearized augmented plane-wave (FP-LAPW) scheme within GGA. Features such as the lattice constant, bulk modulus and its pressure derivative are reported. Also, we have presented our results of the band structure and the density of states. The magnetic moments of KFeF3, KCoF3, KMnF3, KVF3 compounds are in most came from the exchange-splitting of X-3d orbital.

Keywords: Ab initio calculations, electronic structure, magnetic materials

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10318 A First-Principles Investigation of Magnesium-Hydrogen System: From Bulk to Nano

Authors: Paramita Banerjee, K. R. S. Chandrakumar, G. P. Das

Abstract:

Bulk MgH2 has drawn much attention for the purpose of hydrogen storage because of its high hydrogen storage capacity (~7.7 wt %) as well as low cost and abundant availability. However, its practical usage has been hindered because of its high hydrogen desorption enthalpy (~0.8 eV/H2 molecule), which results in an undesirable desorption temperature of 3000C at 1 bar H2 pressure. To surmount the limitations of bulk MgH2 for the purpose of hydrogen storage, a detailed first-principles density functional theory (DFT) based study on the structure and stability of neutral (Mgm) and positively charged (Mgm+) Mg nanoclusters of different sizes (m = 2, 4, 8 and 12), as well as their interaction with molecular hydrogen (H2), is reported here. It has been found that due to the absence of d-electrons within the Mg atoms, hydrogen remained in molecular form even after its interaction with neutral and charged Mg nanoclusters. Interestingly, the H2 molecules do not enter into the interstitial positions of the nanoclusters. Rather, they remain on the surface by ornamenting these nanoclusters and forming new structures with a gravimetric density higher than 15 wt %. Our observation is that the inclusion of Grimme’s DFT-D3 dispersion correction in this weakly interacting system has a significant effect on binding of the H2 molecules with these nanoclusters. The dispersion corrected interaction energy (IE) values (0.1-0.14 eV/H2 molecule) fall in the right energy window, that is ideal for hydrogen storage. These IE values are further verified by using high-level coupled-cluster calculations with non-iterative triples corrections i.e. CCSD(T), (which has been considered to be a highly accurate quantum chemical method) and thereby confirming the accuracy of our ‘dispersion correction’ incorporated DFT calculations. The significance of the polarization and dispersion energy in binding of the H2 molecules are confirmed by performing energy decomposition analysis (EDA). A total of 16, 24, 32 and 36 H2 molecules can be attached to the neutral and charged nanoclusters of size m = 2, 4, 8 and 12 respectively. Ab-initio molecular dynamics (AIMD) simulation shows that the outermost H2 molecules are desorbed at a rather low temperature viz. 150 K (-1230C) which is expected. However, complete dehydrogenation of these nanoclusters occur at around 1000C. Most importantly, the host nanoclusters remain stable up to ~500 K (2270C). All these results on the adsorption and desorption of molecular hydrogen with neutral and charged Mg nanocluster systems indicate towards the possibility of reducing the dehydrogenation temperature of bulk MgH2 by designing new Mg-based nano materials which will be able to adsorb molecular hydrogen via this weak Mg-H2 interaction, rather than the strong Mg-H bonding. Notwithstanding the fact that in practical applications, these interactions will be further complicated by the effect of substrates as well as interactions with other clusters, the present study has implications on our fundamental understanding to this problem.

Keywords: density functional theory, DFT, hydrogen storage, molecular dynamics, molecular hydrogen adsorption, nanoclusters, physisorption

Procedia PDF Downloads 403
10317 Comparison of Different Artificial Intelligence-Based Protein Secondary Structure Prediction Methods

Authors: Jamerson Felipe Pereira Lima, Jeane Cecília Bezerra de Melo

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The difficulty and cost related to obtaining of protein tertiary structure information through experimental methods, such as X-ray crystallography or NMR spectroscopy, helped raising the development of computational methods to do so. An approach used in these last is prediction of tridimensional structure based in the residue chain, however, this has been proved an NP-hard problem, due to the complexity of this process, explained by the Levinthal paradox. An alternative solution is the prediction of intermediary structures, such as the secondary structure of the protein. Artificial Intelligence methods, such as Bayesian statistics, artificial neural networks (ANN), support vector machines (SVM), among others, were used to predict protein secondary structure. Due to its good results, artificial neural networks have been used as a standard method to predict protein secondary structure. Recent published methods that use this technique, in general, achieved a Q3 accuracy between 75% and 83%, whereas the theoretical accuracy limit for protein prediction is 88%. Alternatively, to achieve better results, support vector machines prediction methods have been developed. The statistical evaluation of methods that use different AI techniques, such as ANNs and SVMs, for example, is not a trivial problem, since different training sets, validation techniques, as well as other variables can influence the behavior of a prediction method. In this study, we propose a prediction method based on artificial neural networks, which is then compared with a selected SVM method. The chosen SVM protein secondary structure prediction method is the one proposed by Huang in his work Extracting Physico chemical Features to Predict Protein Secondary Structure (2013). The developed ANN method has the same training and testing process that was used by Huang to validate his method, which comprises the use of the CB513 protein data set and three-fold cross-validation, so that the comparative analysis of the results can be made comparing directly the statistical results of each method.

Keywords: artificial neural networks, protein secondary structure, protein structure prediction, support vector machines

Procedia PDF Downloads 593
10316 Three Dimensional Large Eddy Simulation of Blood Flow and Deformation in an Elastic Constricted Artery

Authors: Xi Gu, Guan Heng Yeoh, Victoria Timchenko

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In the current work, a three-dimensional geometry of a 75% stenosed blood vessel is analysed. Large eddy simulation (LES) with the help of a dynamic subgrid scale Smagorinsky model is applied to model the turbulent pulsatile flow. The geometry, the transmural pressure and the properties of the blood and the elastic boundary were based on clinical measurement data. For the flexible wall model, a thin solid region is constructed around the 75% stenosed blood vessel. The deformation of this solid region was modelled as a deforming boundary to reduce the computational cost of the solid model. Fluid-structure interaction is realised via a two-way coupling between the blood flow modelled via LES and the deforming vessel. The information of the flow pressure and the wall motion was exchanged continually during the cycle by an arbitrary lagrangian-eulerian method. The boundary condition of current time step depended on previous solutions. The fluctuation of the velocity in the post-stenotic region was analysed in the study. The axial velocity at normalised position Z=0.5 shows a negative value near the vessel wall. The displacement of the elastic boundary was concerned in this study. In particular, the wall displacement at the systole and the diastole were compared. The negative displacement at the stenosis indicates a collapse at the maximum velocity and the deceleration phase.

Keywords: Large Eddy Simulation, Fluid Structural Interaction, constricted artery, Computational Fluid Dynamics

Procedia PDF Downloads 274
10315 Classroom Interaction Patterns as Correlates of Senior Secondary School Achievement in Chemistry in Awka Education Zone

Authors: Emmanuel Nkemakolam Okwuduba, Fransica Chinelo Offiah

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The technique of teaching chemistry to students is one of the determining factors towards their achievement. Thus, the study investigated the relationship between classroom interaction patterns and students’ achievement in Chemistry. The purpose of this study was to identify patterns of interaction in an observed chemistry classroom, determine the amount of teacher talk, student talk and period of silence and to find out the relationship between them and the mean achievement scores of students. Five research questions and three hypotheses guided the study. The study was a correlational survey. The sample consisted of 450 (212males and 238 females) senior secondary one students and 12 (5males and 7 females) chemistry teachers drawn from 12 selected secondary schools in Awka Education Zone of Anambra state. In each of the 12 selected schools, an intact class was used. Science Interaction Category (SIC) and Chemistry Achievement Test (CAT) were developed, validated and used for data collection. Each teacher was observed three times and the interaction patterns coded using a coding sheet containing the Science Interaction Category. At the end of the observational period, the Chemistry Achievement Test (for collection of data on students’ achievement in chemistry) was administered on the students. Frequencies, percentage, mean, standard deviation and Pearson product moment correlation were used for data analysis. The result showed that the percentages of teacher talk, student talk and silence were 59.6%, 37.6% and 2.8% respectively. The Pearson correlation coefficient(r) for teacher talk, student talk and silence were -0.61, 0.76 and-0.18 respectively. The result showed negative and significant relationship between teacher talk and mean achievement scores of students; positive and significant relationship between student talk and mean achievement scores of students but there is no relationship between period of silence and mean achievement scores of students at 0.05 significant levels. The following recommendations were made based on the findings: teachers should establish high level of student talk through initiation and response as it promotes involvement and enhances achievement.

Keywords: academic achievement, chemistry, classroom, interactions patterns

Procedia PDF Downloads 286
10314 Balancing the Need for Closure: A Requirement for Effective Mood Development in Flow

Authors: Cristian Andrei Nica

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The state of flow relies on cognitive elements that sustain openness for information processing in order to promote goal attainment. However, the need for closure may create mental constraints, which can impact affectivity levels. This study aims to observe the extent in which need for closure moderates the interaction between flow and affectivity, taking into account the mediating role of the mood repair motivation in the interaction process between need for closure and affectivity. Using a non-experimental, correlational design, n=73 participants n=18 men and n=55 women, ages between 19-64 years (m= 28.02) (SD=9.22), completed the Positive Affectivity-Negative Affectivity Schedule, the need for closure scale-revised, the mood repair items and an adapted version of the flow state scale 2, in order to assess the trait aspects of flow. Results show that need for closure significantly moderates the flow-affectivity process, while the tolerance of ambiguity sub-scale is positively associated with negative affectivity and negatively to positive affectivity. At the same time, mood repair motivation significantly mediates the interaction between need for closure and positive affectivity, whereas the mediation process for negative affectivity is insignificant. Need for closure needs to be considered when promoting the development of positive emotions. It has been found that the motivation to repair one’s mood mediates the interaction between need for closure and positive affectivity. According to this study, flow can trigger positive emotions when the person is willing to engage in mood regulation strategies and approach meaningful experiences with an open mind.

Keywords: flow, mood regulation, mood repair motivation, need for closure, negative affectivity, positive affectivity

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10313 The Arts of Walisanga's Mosques in Java: Structure/Architecture Studies and Its Meaning in Anthropological Perspective

Authors: Slamet Subiyantoro, Mulyanto

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Revealing the structure and symbolism meaning of the walisanga’s mosque arts in Java is very important to explain the philosophy of religious foundation which is a manifestation of the norms/ value system and behavior of the Javanese Islam society that support the culture. This research's aims are also to find the structure pattern of walisanga’s mosque and its symbolic meaning in the context of Javanese Islam society. In order to obtain the research objectives, the research were done in several walisanga’s mosques in Java using anthropological approach which is focused on its interpretation and semiotic analysis. The data were collected through interviews with key informants who well informed about the shape and symbolism of walisanga’s mosques in Java. The observation technique is done through visiting walisanga’s mosques to see directly about its structure/ architecture. In completing the information of comprehensive result of the research, it is also used documents and archives as well as any other source which is analyzed to deepen the discussion in answering the problems research. The flow of analysis is done using an interactive model through stages of data collection, data reduction, data presentation and verification. The analysis is done continuously in a cycle system to draw valid conclusions. The research result indicates that the structure/architecture of walisanga’s mosque in Java is structured/built up vertically as well as horizontally. Its structure/architecture is correlated to each other which is having a sacred meaning that is a process represents the mystical belief such as sangkan paraning dumadi and manuggaling kawula gusti.

Keywords: Walisanga’s mosques, Java, structure and architecture, meaning

Procedia PDF Downloads 344
10312 Onion Storage and the Roof Influence in the Tropics

Authors: O. B. Imoukhuede, M. O. Ale

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The periodic scarcity of onion requires an urgent solution in Nigerian agro- economy. The high percentage of onion losses incurred after the harvesting period is due to non-availability of appropriate facility for its storage. Therefore, some storage structures were constructed with different roofing materials. The response of the materials to the weather parameters like temperature and relative humidity were evaluated to know their effects on the performance of the storage structures. The temperature and relative humidity were taken three times daily alongside with the weight of the onion in each of the structures; the losses as indicated by loss indices like shrinkage, rottenness, sprouting, and colour were identified and percentage loss per week determined. The highest mean percentage loss (22%) was observed in the structure with iron roofing materials while structure with thatched materials had the lowest (9.4%); The highest temperature was observed in the structure with Asbestos roofing materials and no significant difference in the temperature value in the structure with thatched and Iron materials; highest relatively humidity was found in Asbestos roofing material while the lowest in the structure with iron matetrials. It was conclusively found that the storage structure with thatched roof had the best performance in terms of losses.

Keywords: Nigeria, onion, storage structures, weather parameters, roof materials, losses

Procedia PDF Downloads 534
10311 Advanced Manufacturing Technology Adoption and Organizational Structure

Authors: George Nyori Makari

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Data on 92 industrial organizations point to the existence of relationships between advanced manufacturing technology (AMT) adoption and some aspects of organizational structure, including the number of specialized sub-units, the number of levels of authority, span of control, degree of role programming specification, degree of communication programming specification and the degree of output programming. Primary finding is that as the investments and integration of AMTs increases, the more likely the foregoing aspects of structure increase. The findings hold with size and a number of other organizational variables controlled. The results indicate that a company’s capacity to assimilate technology depends on its organizational capabilities. The study encapsulates the need for companies to increase their organizational capabilities during investment and integration of AMTs.

Keywords: advanced manufacturing technology, adoption, organizational structure, Kenya

Procedia PDF Downloads 436