Search results for: structure analysis

Authors: F.Bendahma, S.Bentata

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In this paper, we study numerically the eigenstates existing in a GaAs/AlxGa1-xAs superlattice with structural disorder in trimer height barrier (THB). Aluminium concentration x takes at random two different values, one of them appears only in triply and remains inferior to the second in the studied structure. In spite of the presence of disorder, the system exhibits two kinds of sets of propagating states lying below the barrier due to the characteristic structure of the superlattice. This result allows us to note the existence of a single laser emission in trimer and wavelengths are obtained in the mid-infrared.

Keywords: infrared (IR), laser emission, superlattice, trimer

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Authors: Suzan Abd El Majid, Menachem Bamberger, Alexander Katsman

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Two Al-4 wt. % Cu based alloys, A201 and A201+Si were investigated in the as-cast, solution treated and aged conditions. The addition of Si was used to improve the castability of the basic alloy. The all investigated alloys in the as-cast condition contained a eutectic structure along grain boundaries (GBs) with the composition Al-50at. %Cu that was found by HRSEM EDS. Addition of Si refined the grain structure and changed the amount of the eutectic regions, their size and shape. Additionally, the A201+Si microstructure contained Si rods and small amount of Al6Mn4Cu3Fe2Si-phase. Solution treatment (ST) at 550°C for ~ 20 hours resulted in a slight dissolution of the eutectic structure in the A201 alloy while substantial dissolution and change of the eutectic composition was detected in the A201+Si alloy. After ST, the A201alloy contained θ-Al2Cu, Al5Cu2Mn3 and Al9Cu7Mn3(Fe) phases associated to the GBs, while the ST A201+Si alloy contained θ-Al2Cu, Al6Mn4Cu3(Fe,Si) and Si94Mn3Al2Cu phases. Precipitation hardening during aging at 170°C was investigated for both alloys. The microhardness of the ST A201alloy increased during aging and reached the maximum value ~ 140 HV after 2 h of aging. Initial microhardness of the ST A201+Si alloy was distinctly higher than one of the ST A201 alloy, but it decreased during the first hour of aging, then increased and reached the same maximum value ~ 140 HV after ~ 4 h of aging. It was concluded that the Si addition influenced the precipitation sequence and slowed down the age hardening process. The Si induced grain refining and evolution of the eutectic structure during the heat treatments applied are discussed.

Keywords: A201 alloys, castability, microstructure, micro-hardness

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Authors: Femi Elegbeleye, Omobayo Esan, Muienge Mbodila, Patrick Bowe

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This paper focused on cost effective storage architecture using fog and cloud data storage gateway and presented the design of the framework for the data privacy model and data analytics framework on a real-time analysis when using machine learning method. The paper began with the system analysis, system architecture and its component design, as well as the overall system operations. The several results obtained from this study on data privacy model shows that when two or more data privacy model is combined we tend to have a more stronger privacy to our data, and when fog storage gateway have several advantages over using the traditional cloud storage, from our result shows fog has reduced latency/delay, low bandwidth consumption, and energy usage when been compare with cloud storage, therefore, fog storage will help to lessen excessive cost. This paper dwelt more on the system descriptions, the researchers focused on the research design and framework design for the data privacy model, data storage, and real-time analytics. This paper also shows the major system components and their framework specification. And lastly, the overall research system architecture was shown, its structure, and its interrelationships.

Keywords: IoT, fog, cloud, data analysis, data privacy

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Authors: K. Debkowska

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The aim of this article is presenting the possibilities of using Fuzzy Set Qualitative Comparative Analysis (fsQCA) in researches concerning business models of enterprises. FsQCA is a bridge between quantitative and qualitative researches. It's potential can be used in analysis and evaluation of business models. The article presents the results of a study conducted on the basis of enterprises belonging to different sectors: transport and logistics, industry, building construction, and trade. The enterprises have been researched taking into account the components of business models and the financial condition of companies. Business models are areas of complex and heterogeneous nature. The use of fsQCA has enabled to answer the following question: which components of a business model and in which configuration influence better financial condition of enterprises. The analysis has been performed separately for particular sectors. This enabled to compare the combinations of business models' components which actively influence the financial condition of enterprises in analyzed sectors. The following components of business models were analyzed for the purposes of the study: Key Partners, Key Activities, Key Resources, Value Proposition, Channels, Cost Structure, Revenue Streams, Customer Segment and Customer Relationships. These components of the study constituted the variables shaping the financial results of enterprises. The results of the study lead us to believe that fsQCA can help in analyzing and evaluating a business model, which is important in terms of making a business decision about the business model used or its change. In addition, results obtained by fsQCA can be applied by all stakeholders connected with the company.

Keywords: business models, components of business models, data analysis, fsQCA

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Authors: Adriana Souza M. Batista, Cláubia Pereira, Luiz O. Faria

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The irradiation of polymeric materials has received much attention because it can produce diverse changes in chemical structure and physical properties. Thus, studying the chemical and structural changes of polymers is important in practice to achieve optimal conditions for the modification of polymers. The effect of gamma irradiation on the crystalline structure of poly(vinylidene fluoride) (PVDF) has been investigated using differential scanning calorimetry (DSC) and X-ray diffraction techniques (XRD). Gamma irradiation was carried out in atmosphere air with doses between 100 kGy at 3,000 kGy with a Co-60 source. In the melting thermogram of the samples irradiated can be seen a bimodal melting endotherm is detected with two melting temperature. The lower melting temperature is attributed to melting of crystals originally present and the higher melting peak due to melting of crystals reorganized upon heat treatment. These results are consistent with those obtained by XRD technique showing increasing crystallinity with increasing irradiation dose, although the melting latent heat is decreasing.

Keywords: differential scanning calorimetry, gamma irradiation, PVDF, X-ray diffraction technique

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Authors: Nattawipa Pakasri

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58S (60SiO2-36CaO-4P2O5), three-dimensionally ordered macroporous bioactive glasses (3DOM-BGs) were synthesized by the sol-gel method using dual templating methods. non-ionic surfactant Brij56 used as templates component produced mesoporous and the spherical PMMA colloidal crystals as one template component yielded either three-dimensionally ordered microporous products or shaped bioactive glass nanoparticles. The bioactive glass with aging step for 12 h at room temperature, no structure transformation occurred and the 3DOM structure was produced (Figure a) due to no shrinkage process between the aging step. After 48 h time of o 3DOM structure remained and, nanocube with ∼120 nm edge lengths and nanosphere particle with ∼50 nm was obtained (Figure c, d). PMMA packing templates have octahedral and tetrahedral holes to make 2 final shapes of 3DOM-BGs which is rounded and cubic, respectively. The ageing time change from 12h, 24h and 48h affected to the thickness of interconnecting macropores network. The wall thickness was gradually decrease after increase aging time.

Keywords: three-dimensionally ordered macroporous bioactive glasses, sol-gel method, PMMA, bioactive glass

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Authors: Zizouni Khaled, Fali Leyla, Sadek Younes, Bousserhane Ismail Khalil

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In structural vibration caused principally by an earthquake excitation, the most vibration’s attenuation system used recently is the semi active control with a Magneto Rheological Damper device. This control was a subject of many researches and works in the last years. The big challenges of searchers in this case is to propose an adequate controller with a robust algorithm of current or tension adjustment. In this present paper, a linear controller is proposed to control the MR damper using to reduce a vibrations of three story structure exposed to El Centro’s 1940 and Boumerdès 2003 earthquakes. In this example, the MR damper is installed in the first floor of the structure. The numerical simulations results of the proposed linear control with a feedback law based on clipped optimal algorithm showed the feasibility of the semi active control to protecting civil structures. The comparison of the controlled structure and uncontrolled structures responses illustrate clearly the performance and the effectiveness of the simple proposed approach.

Keywords: MR damper, seismic vibration, semi-active control

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Authors: Ling Xu, Giuseppe Loprencipe, Antonio D'Andrea

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Asphalt pavement with recycled and sustainable materials has become the most commonly adopted strategy for road construction, including reclaimed asphalt pavement (RAP) and crumb rubber (CR) from waste tires. However, the adhesion and cohesion characteristics of rubberized reclaimed asphalt pavement were still ambiguous, resulting in deteriorated adhesion behavior and life performance. This research investigated the effect of bonding characteristics on rutting resistance and moisture susceptibility of rubberized reclaimed asphalt pavement in terms of two RAP sources with different oxidation levels and two tire rubber with different particle sizes. Firstly, the binder bond strength (BBS) test and bonding failure distinguishment were conducted to analyze the surface behaviors of binder-aggregate interaction. Then, the compatibility and penetration grade of rubberized RAP binder were evaluated by rotational viscosity test and penetration test, respectively. Hamburg wheel track (HWT) test with high-temperature viscoelastic deformation analysis was adopted, which illustrated the rutting resistance. Additionally, a water boiling test was employed to evaluate the moisture susceptibility of the mixture and the texture features were characterized with the statistical parameters of image colors. Finally, the colloid structure model of rubberized RAP binder with surface interaction was proposed, and statistical analysis was established to release the correlation among various indexes. This study concluded that the gel-phase colloid structure and molecular diffusion of the free light fraction would affect the surface interpretation with aggregate, determining the bonding characteristic of rubberized RAP asphalt.

Keywords: bonding characteristics, reclaimed asphalt pavement, rubberized asphalt, sustainable material

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Authors: Khaled R. Khater

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this paper is an extension to previously published two papers; all share the first part of their titles. The papers theme is soil-structure interaction in the ground of soil retaining structures. The secant pile wall is the concern, while the focus is its capping beam. The earlier papers suggested a technique to structurally analyze capping beam. It has been proved that; pile rigidity shares the capping beam rigidity to resist the wall deformations. The current paper explains how the beam-pile integration re-distributes the pile’s bending moment for the benefits of wall deformations. It is concluded that re-distribution of pile bending moment is completely different than the calculated by plain strain analysis, values, and distributions. The pile diameter, beam rigidity, pile spacing, and the 3D-analysis-effect individually or all together affect the pile bending moment. The Plaxis-2D and STAAD-Pro 3D are the used software’s. Throughout this study, three sand densities, various pile and beam rigidities, and three excavation depths, i.e., 3.0-m, 4.0-m and 5.0-m have been considered.

Keywords: bending moment, capping beam, numerical analysis, secant pile, sandy soil

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Authors: Erin Hea-Jin Kim

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This study aims to investigate scholarly communication patterns in Korean studies, which focuses on all aspects of Korea, including history, culture, literature, politics, society, economics, religion, and so on. It is called ‘national study or home study’ as the subject of the study is itself, whereas it is called ‘area study’ as the subject of the study is others, i.e., outside of Korea. Understanding of the structure of scholarly communication in Korean studies is important since the motivations, procedures, results, or outcomes of individual studies may be affected by the cooperative relationships that appear in the communication structure. To this end, we collected 1,798 articles with the (author or index) keyword ‘Korean’ published in 2018 from the Scopus database and extracted the institution and country of the authors using a text mining technique. A total of 96 countries, including South Korea, was identified. Then we constructed a co-authorship network based on the countries identified. The indicators of social network analysis (SNA), co-occurrences, and cluster analysis were used to measure the activity and connectivity of participation in collaboration in Korean studies. As a result, the highest frequency of collaboration appears in the following order: S. Korea with the United States (603), S. Korea with Japan (146), S. Korea with China (131), S. Korea with the United Kingdom (83), and China with the United States (65). This means that the most active participants are S. Korea as well as the USA. The highest rank in the role of mediator measured by betweenness centrality appears in the following order: United States (0.165), United Kingdom (0.045), China (0.043), Japan (0.037), Australia (0.026), and South Africa (0.023). These results show that these countries contribute to connecting in Korean studies. We found two major communities among the co-authorship network. Asian countries and America belong to the same community, and the United Kingdom and European countries belong to the other community. Korean studies have a long history, and the study has emerged since Japanese colonization. However, Korean studies have never been investigated by digital content analysis. The contributions of this study are an analysis of co-authorship in Korean studies with a global perspective based on digital content, which has not attempted so far to our knowledge, and to suggest ideas on how to analyze the humanities disciplines such as history, literature, or Korean studies by text mining. The limitation of this study is that the scholarly data we collected did not cover all domestic journals because we only gathered scholarly data from Scopus. There are thousands of domestic journals not indexed in Scopus that we can consider in terms of national studies, but are not possible to collect.

Keywords: co-authorship network, Korean studies, Koreanology, scholarly communication

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Authors: Jakub Vávra, Milan Valenta, Petr Kosek

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This article presents a perspective on the conduct of the dramatherapy process with persons with addictive behaviours with regard to the directiveness of the process. Although drama therapy as one of the creative arts approaches is rather non-directive in nature, depending on the clientele, there may be a need to structure the process more and, depending on the needs of the clients, to guide the process more directive. The specificity for people with addictive behaviours is discussed through the prism of the dramatherapeutic perspective, where we can find both a psychotherapeutic component as well as a component touching on expression and art, which is rather non-directive in nature. Within the context of practice with clients, this theme has repeatedly emerged and dramatherapists themselves have sought to find ways of coping with clients' demands and needs for structure and guidance within the dramatherapy process. Some of the outcomes from the supervision work also guided the research. Based on this insight, the research questions were approached. The first research question asks: in what ways is directive in dramatherapy manifested and manifested in the process? The second research question then complements the first and asks: to which phenomena are directivity in dramatherapy linked? In relation to the research questions, data were collected using focus groups and field notes. The qualitative approach of Content analysis and Relational analysis was chosen as the methodology. For analyzing qualitative research, we chose an Inductive coding scheme: Open coding, Axial coding, Pattern matching, Member checking, and Creating a coding scheme. In the presented partial research results, we find recurrent schemes related to directive coding in drama therapy. As an important element, directive leadership emerges in connection with safety for the client group, then in connection with the clients' order and also the department of the facility, and last but not least, to the personality of the drama therapist. By careful analysis and looking for patterns in the research results, we can see connections that are impossible to interpret at this stage but already provide clues to our understanding of the topic and open up further avenues for research in this area.

Keywords: dramatherapy, directivity, personal approach, aims of dramatherapy process, safetyness

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

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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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Authors: Pheiroijam Pooja, P. Chinnamuthu

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A novel vertical 1D In2O3/TiO2 nanocolumn (NC) axial heterostructure has been successfully synthesized using Glancing Angle Deposition (GLAD) technique inside E-Beam Evaporator chamber. Field emission scanning electron microscope (FESEM) has been used to evaluate the morphology of the structure grown. The estimated length of In2O3/TiO2 NC is ~250 nm and ~300nm for In2O3 and TiO2 respectively with diameter ~60-90 nm. The surface of the heterostructure is porous in nature which can affect the interfacial wettability properties. The grown structure has been further characterized using X-ray Diffraction (XRD) and UV-Visible absorption measurement. The polycrystalline nature of the sample has been examined using XRD with prominent peaks obtained with phase (101) for anatase TiO2 and (211) for In2O3. Here, 1D axial heterostructure NC thus favors efficient segregation of photo-excited carriers due to their type II band alignment between the constituent materials. Moreover, the 1D nanostructure is known for their large surface area and excellent ionic charge transport property. On exposure to UV light illumination, the surface properties of In2O3/TiO2 NC changes whereby the hydrophobic nature of the heterostructure changes to hydrophilic. As a result, the reversible surface wettability of heterostructure on interaction with UV light can give potential applications as antifogging and self-cleaning surfaces.

Keywords: GLAD, heterostructure, In2O3/TiO2 NC, surface wettability

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Authors: Nurtazin Sabir, Begon Michael, Yeszhanov Aidyn, Alexander Belyaev, Hughes Nelika, Bethany Levick, Salmurzauly Ruslan

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This paper describes the features of the distribution of the most abundant species of fleas that are carriers of the most dangerous infections in the Balkhash-Alakol depression of Kazakhstan. We show that of 153 species of fleas described in the territory of the great gerbil (Rhombomys opimus Licht.), 35 species are parasitic. 21 of them are specific to gerbils species, and four species of fleas from the Xenopsylla genus are dominant in number and value of epizootic. We also describe the modern features of habitats of these species and their relationship with the great gerbil populations found in the South Balkhash region. It indicates the need for research on the population structure of the most abundant fleas species and their relationship with the structure of the populations of main carrier of transmission infections in the region-great gerbil.

Keywords: Balkhash-Alakol depression, natural foci of plague, species diversity and distribution of fleas, flea and great gerbil population structure, epizootic activity, mass species of fleas

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Authors: Elahe Moradi, Hoseinali A. Khonakdar

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The escalating interest in renewable polymers is undeniable, albeit accompanied by inherent challenges. In our study, we endeavored to make a significant contribution to environmental conservation by introducing an eco-friendly structure, developed through an innovative approach. Specifically, we enhanced the compatibility between two immiscible polymers, namely poly (lactic acid) (PLA) and poly (butylene adipate-co-terephthalate) (PBAT). Our strategy involved the use of polyhedral oligomeric silsesquioxanes (POSS) nanoparticles, equipped with an epoxy functional group (Epoxy-POSS), to accomplish this objective with solution casting method. The incorporation of 1% nanoparticles into the PLA blend resulted in a decrease in its cold crystallization temperature. Furthermore, these nanoparticles possess the requisite capability to enhance molecular mobility, facilitated by the induction of a lubrication effect. The emergence of a PLA-CO-POSS-CO-PBAT structure at the interface between PLA and PBAT led to a significant amplification of the interactions at the interface of the matrix and the dispersed phase.

Keywords: compatibilization, thermal behavior, structure-properties, nanocomposite, PLA, PBAT

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Authors: Adegoke Yinka Adebayo

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An understanding of the critical product attributes that impact on in vivo performance is key to the production of safe and effective medicines. Thus, a key driver for our research is the development of new basic science and technology underpinning the development of new pharmaceutical products. Research includes the structure and properties of drugs and excipients, biopharmaceutical characterisation, pharmaceutical processing and technology and formulation and analysis.

Keywords: drug discovery, drug development, drug delivery

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Authors: Abdelaziz Ghrib, Samir Hattali, Mouloud Ghrib, Mohamed Lamine Aouissia, David Ruch

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In the present study, the solid solutions with a chemical composition of Zr0.8Y0.2-xLaxO2 (x=0, 0.1, 0.2) were synthesized via two routes, by hydrothermal method using NaOH as precipitating agent at 230°C for 15h and by the sol–gel process using citric acid as complexing agent. Compounds have been characterized by powder X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Thermo gravimetric Analysis (TGA) and Differential Thermal Analysis (DTA) techniques for appropriate characterization of the distinct thermal events occurring during synthesis. All the compounds crystallize in cubic fluorite structure, as indicated by X-ray diffraction studie. The microstructure of oxides synthesized by sol-gel showed porosity that increased with the lanthanum La3+ contents compared to hydrothermal method which gives a single crystal oxide.

Keywords: oxide, hydrothermal, rare earth, solubility, sol-gel, ternary mixture

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Authors: Claudia Ehrentraut, Osama Ibrahim, Hercules Dalianis

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Policy making situations are real-world problems that exhibit complexity in that they are composed of many interrelated problems and issues. To be effective, policies must holistically address the complexity of the situation rather than propose solutions to single problems. Formulating and understanding the situation and its complex dynamics, therefore, is a key to finding holistic solutions. Analysis of text based information on the policy problem, using Natural Language Processing (NLP) and Text analysis techniques, can support modelling of public policy problem situations in a more objective way based on domain experts knowledge and scientific evidence. The objective behind this study is to support modelling of public policy problem situations, using text analysis of verbal descriptions of the problem. We propose a formal methodology for analysis of qualitative data from multiple information sources on a policy problem to construct a causal diagram of the problem. The analysis process aims at identifying key variables, linking them by cause-effect relationships and mapping that structure into a graphical representation that is adequate for designing action alternatives, i.e., policy options. This study describes the outline of an algorithm used to automate the initial step of a larger methodological approach, which is so far done manually. In this initial step, inferences about key variables and their interrelationships are extracted from textual data to support a better problem structuring. A small prototype for this step is also presented.

Keywords: public policy, problem structuring, qualitative analysis, natural language processing, algorithm, inference extraction

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Authors: Haleh Hamidpour

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Since the seismic damageability of structures is controlled by the inelastic deformation capacities of structural elements, seismic design of structure based on force analogy methods is not appropriate. In recent year, the basic approach of design codes have been changed from force-based approach to displacement-based. In this regard, a Direct Displacement-Based Design (DDBD) and a Performance-Based Plastic Design (PBPD) method are proposed. In this study, the efficiency of these two methods on seismic performance of structures is evaluated through a sample 12-story reinforced concrete moment frame. The building is designed separately based on the DDBD and the PBPD methods. Once again the structure is designed by the traditional force analogy method according to the FEMA P695 regulation. Different design method results in different structural elements. Seismic performance of these three structures is evaluated through nonlinear static and nonlinear dynamic analysis. The results show that the displacement-based design methods accommodate the intended performance objectives better than the traditional force analogy method.

Keywords: direct performance-based design, ductility demands, inelastic seismic performance, yield mechanism

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Authors: Ravinder Singh, Ankita Gurao, Saroj Bandhan, Sudhir Kumar Kashyap

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The Bos taurus Beta defensin 3 is a defensin peptide secreted by neutrophils and epithelial that exhibits anti-microbial activity. It is one of the crucial components forming an innate defense against intra mammary infections in livestock. The beta defensin 3 by virtue of its anti-microbial activity inhibits major mastitis pathogens including Staphylococcus aureus and Pseudomonas aeruginosa etc, which are also responsible for biofilm formation leading to antibiotic resistance phenomenon. Therefore, the defensin may prove as a non-conventional option to treat mastitis. In this study, computational analysis has been performed including sequence comparison among species and homology modeling of Bos taurus beta defensin 3 protein. The assessments of protein structure were done using the protein structure and model assessment tools integrated in Swiss Model server, which employs various local and global quality evaluation parameters. Further, molecular docking was also carried out between the defensin peptide and the components of biofilm to gain insight into various interactions and structural differences crucial for functionality of this protein.

Keywords: beta defensin 3, bos taurus, docking, homology modeling

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Authors: A. M. El-Akhdar, A. M. El-Tager, H. M. El-Hennawy

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This paper presents a broadband power divider with equal power division ratio. Two sections of transmission line transformers based on coupled microstrip lines are applied to obtain broadband performance. In addition, design methodology is proposed for the novel structure. A prototype is designed, simulated to operate in the band from 2.1 to 3.8 GHz to fulfill the requirements of 3G and 4G applications. The proposed structure features reduced size and less resistors than other conventional techniques. Simulation verifies the proposed idea and design methodology.

Keywords: power dividers, coupled lines, microstrip, 4G applications

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Authors: Abhishek Kumar Gupta

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Atomistic Molecular Dynamics (MD) Simulations have been performed to study the effect of monovalent salt i.e. NaCl concentration (Cs) and chain degree of neutralization (f) on the structure and dynamics of anionic poly(methacrylic acid) (PMA) in dilute aqueous solutions. In the present study, the attention is to unveil the conformational structure, hydrogen-bonding, local polyion-counterion structure, h-bond dynamics, chain dynamics and thermodynamic enthalpy of solvation of a-PMA in dilute aqueous solutions as a function of salt concentration, Cs and f. The results have revealed that at low salt concentration, the conformational radius of gyration (Rg) increases and then decreases reaching a maximum in agreement with the reported light scattering experimental results. The Rg at f = 1 shows a continual decrease and acquire a plateau value at higher salt concentration in agreement with results obtained by light scattering experiments. The radial distribution functions between PMA, salt and water atoms has been computed with respect to atom and centre-of-mass to understand the intermolecular structure in detail. The results pertaining to PMA chain conformations and hydrogen bond autocorrelation function showcasing the h-bond dynamics will be presented. The results pertaining to chain dynamics will be presented. The results pertaining to counterion condensation on the PMA chain shows greater condensation of Na+ ions on to the carboxylate ions with increase in salt concentration. Moreover, the solvation enthalpy of the system as a function of salt concentration will be presented.

Keywords: conformations, molecular dynamics simulations, NaCl concentration, radial distribution functions

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Authors: Yong Pan, Li Wang, Xue Qiong Su, Dong Wen Gao

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To date, nanomaterials have received extensive attention over the years because of their wide application. Various nanomaterials such as nanoparticles, nanowire, nanoring, nanostars and other nanostructures have begun to be systematically studied. The preparation of these materials by chemical methods is not only costly, but also has a long cycle and high toxicity. At the same time, preparation of nanoparticles of multi-doped composites has been limited due to the special structure of the materials. In order to prepare multi-doped composites with the same structure as macro-materials and simplify the preparation method, the Ga_xCo_1-xZnSe_0.4 (x = 0.1, 0.3, 0.5) nanoparticles are prepared by Pulse Laser Ablation (PLA) method. The particle component and structure are systematically investigated by X-ray diffraction (XRD) and Raman spectra, which show that the success of our preparation and the same concentration between nanoparticles (NPs) and target. Morphology of the NPs characterized by Transmission Electron Microscopy (TEM) indicates the circular-shaped particles in preparation. Fluorescence properties are reflected by PL spectra, which demonstrate the best performance in concentration of Ga_0.3Co_0.3ZnSe_0.4. Therefore, all the results suggest that PLA is promising to prepare the multi-NPs since it can modulate performance of NPs.

Keywords: PLA, physics, nanoparticles, multi-doped

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Authors: Ahmed Salam, Haithem Benkahla

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Recently, an efficient backward-stable algorithm for computing eigenvalues and vectors of a symmetric and Hamiltonian matrix has been proposed. The method preserves the symmetric and Hamiltonian structures of the original matrix, during the whole process. In this paper, we revisit the method. We derive a way for implementing the reduction of the matrix to the appropriate condensed form. Then, we construct a novel version of the implicit QR-algorithm for computing the eigenvalues and vectors.

Keywords: block implicit QR algorithm, preservation of a double structure, QR algorithm, symmetric and Hamiltonian structures

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Authors: Johnson Okoduwa Imumbhon, Mohammad Didarul Alam, Yiding Cao

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Structural analyses are commonly employed to test the integrity of aircraft component systems in the design stage to demonstrate the capability of the structural components to withstand what it was designed for, as well as to predict potential failure of the components. The analyses are also essential for weight minimization and selecting the most resilient materials that will provide optimal outcomes. This research focuses on testing the structural nature of a high-lift low Reynolds number airfoil profile design, the Selig S1223, under certain loading conditions for a drone model application. The wing (ribs, spars, and skin) of the drone model was made of carbon fiber-reinforced polymer and designed in SolidWorks, while the finite element analysis was carried out in ANSYS mechanical in conjunction with the lift and drag forces that were derived from the aerodynamic airfoil analysis. Additionally, modal analysis was performed to calculate the natural frequencies and the mode shapes of the wing structure. The structural strain and stress determined the minimal deformations under the wing loading conditions, and the modal analysis showed the prominent modes that were excited by the given forces. The research findings from the structural analysis of the S1223 high-lift airfoil indicated that it is applicable for use in an unmanned aerial vehicle as well as a novel reciprocating-airfoil-driven vertical take-off and landing (VTOL) drone model.

Keywords: CFRP, finite element analysis, high-lift, S1223, strain, stress, VTOL

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Authors: Mebarek Boukelkoul, Abdelhalim Haroun

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By means of the first principle calculation, we have investigated the structural, magnetic and magneto-optical properties of the ultra-thin films of Fen/Cu(001) with (n=1, 2, 3). We adopted a relativistic approach using DFT theorem with local spin density approximation (LSDA). The electronic structure is performed within the framework of the Spin-Polarized Relativistic (SPR) Linear Muffin-Tin Orbitals (LMTO) with the Atomic Sphere Approximation (ASA) method. During the variational principle, the crystal wave function is expressed as a linear combination of the Bloch sums of the so-called relativistic muffin-tin orbitals centered on the atomic sites. The crystalline structure is calculated after an atomic relaxation process using the optimization of the total energy with respect to the atomic interplane distance. A body-centered tetragonal (BCT) pseudomorphic crystalline structure with a tetragonality ratio c/a larger than unity is found. The magnetic behaviour is characterized by an enhanced magnetic moment and a ferromagnetic interplane coupling. The polar magneto-optical Kerr effect spectra are given over a photon energy range extended to 15eV and the microscopic origin of the most interesting features are interpreted by interband transitions. Unlike thin layers, the anisotropy in the ultra-thin films is characterized by a perpendicular magnetization which is perpendicular to the film plane.

Keywords: ultrathin films, magnetism, magneto-optics, pseudomorphic structure

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Authors: Yue Shuai Zhao, Rong Ping Shao, Wei Sun, Guo Hua Ren, Yong Wang, Li Chen Sun

Abstract:

A large-scale cryopump (DN1250) used in large vacuum leak detecting system was designed and its performance experimentally investigated by Beijing Institute of Spacecraft Environment Engineering. The cryopump was cooled by four closed cycle helium refrigerators (two dual stage refrigerators and two single stage refrigerators). Detailed numerical analysis of the heat transfer in the first stage array and the second stage array were performed by using computational fluid dynamic method (CFD). Several design parameters were considered to find the effect on the temperature distribution and the cooldown time. The variation of thermal conductivity and heat capacity with temperature was taken into account. The thermal analysis method based on numerical techniques was introduced in this study, the heat transfer in the first stage array and the second stage cryopanel was carefully analyzed to determine important considerations in the thermal design of the cryopump. A performance test system according to the RNEUROP standards was built to test main performance of the cryopump. The experimental results showed that the structure of first stage array which was optimized by the method could meet the requirement of the cryopump well. The temperature of the cryopanel was down to 10K within 300 min, and the result of the experiment was accordant with theoretical analysis' conclusion. The test also showed that the pumping speed for N2 of the pump was up to 57,000 L/s, and the crossover was over than 300,000 Pa•L.

Keywords: cryopump, temperature distribution, thermal analysis, CFD Simulation

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Authors: J. Shiri, A. Mansourizadeh, F. Faghih, H. Vaez

Abstract:

In this study, porous polyvinylidene fluoride (PVDF) hollow fiber membranes are fabricated via a wet phase-inversion Process and used in the gas–liquid membrane contactor for physical CO2 absorption. Effect of different air gap on the structure and CO2 flux of the membrane was investigated. The hollow fibers were prepared using the wet spinning process using a dope solution containing PVDF/NMP/Licl (18%, 78%, 4%) at the extrusion rate of 4.5ml/min and air gaps of 0, 7, 15cm. Water was used as internal and external coagulants. Membranes were characterized using various techniques such as Field Emission Scanning Electron Microscopy (FESEM), Gas permeation test, Critical Water Entry Pressure (CEPw) to select the best membrane structure for Co2 absorption. The characterization results showed that the prepared membrane at which air gap possess small pore size with high surface porosity and wetting resistance, which are favorable for gas absorption application air gap increased, CEPw had a decrease, but the N2 permeation was decreased. Surface porosity and also Co2 absorption was increased.

Keywords: porous PVDF hollow fiber membrane, CO2 absorption, phase inversion, air gap

Procedia PDF Downloads 392

Authors: Tareg M. Elsunaki, Suleiman A. Arafa, Mohamed A. Abd-Alla

Abstract:

New interesting thermal stable polyesters containing 1-methyl-4-piperidone moiety in the main chain have been synthesized. These polyesters were synthesized by interfacial polycondensation technique of 3,5-bis(4-hydroxybenzylidene)-1-methyl-4-piperidone (I) and 3,5-bis(4-hydroxy-3-methoxy benzyli-dene)-1-methyl-4-piperidone (II) with terphthaloyl, isophthaloyl, 4,4'-diphenic, adipoyl and sebacoyl dichlorides. The yield and the values of the reduced viscosity of the produced polyesters were found to be affected by the type of an organic phase. In order to characterize these polymers, the necessary model compounds (A), (B) were prepared from (I), (II) respectively and benzoyl chloride. The structure of monomers (I), (II), model compounds and resulting polyesters were confirmed by IR, elemental analysis and 1HNMR spectroscopy. The various characteristic of the resulting polymers including solubility, thermal properties, viscosity and X-ray analysis were also studied.

Keywords: synthesis, characterization, new polyesters, chemistry

Procedia PDF Downloads 458

Authors: Thanusha D. Abeywickrama, Inoka C. Perera, Genji Kurisu

Abstract:

Tuberculosis, considered being as the ninth leading cause of death worldwide, cause from a single infectious agent M. tuberculosis and the drug resistance nature of this bacterium is a continuing threat to the world. Therefore TB preventing treatment is expanding, where this study designed to analyze the regulatory mechanism of GntR transcriptional regulator gene Rv0792c, which lie between several genes codes for some hypothetical proteins, a monooxygenase and an oxidoreductase. The gene encoding Rv0792c was cloned into pET28a and expressed protein was purified to near homogeneity by Nickel affinity chromatography. It was previously reported that the protein binds within the intergenic region (BS region) between Rv0792c gene and monooxygenase (Rv0793). This resulted in binding of three protein molecules with the BS region suggesting tight control of monooxygenase as well as its own gene. Since monooxygenase plays a key role in metabolism, this gene may have a global regulatory role. The natural ligand for this regulator is still under investigation. In relation to the Rv0792 protein structure, a Circular Dichroism (CD) spectrum was carried out to determine its secondary structure elements. Percentage-wise, 17.4% Helix, 21.8% Antiparallel, 5.1% Parallel, 12.3% turn and 43.5% other were revealed from CD spectrum data under room temperature. Differential Scanning Calorimetry (DSC) was conducted to assess the thermal stability of Rv0792, which the melting temperature of protein is 57.2 ± 0.6 °C. The graph of heat capacity (Cp) versus temperature for the best fit was obtained for non-two-state model, which concludes the folding of Rv0792 protein occurs through stable intermediates. Peak area (∆HCal ) and Peak shape (∆HVant ) was calculated from the graph and ∆HCal / ∆HVant was close to 0.5, suggesting dimeric nature of the protein.

Keywords: CD spectrum, DSC analysis, GntR transcriptional regulator, protein structure

Procedia PDF Downloads 222