Search results for: structural isomers

Authors: Abdalla Ahmad Obeidat

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Developing efficient hydrogen storage materials is critical to advancing clean energy technologies, particularly for applications in fuel cells and renewable energy systems. This study explores materials for hydrogen storage through Density Functional Theory (DFT) calculations, addressing one of the most significant challenges in sustainable energy: the safe and efficient storage and release of hydrogen. Our research provides an in-depth analysis of various candidate compounds' structural and electronic properties, aiming to identify materials with enhanced hydrogen storage capacities. By investigating adsorption mechanisms and optimizing key material properties, we aim to contribute to developing high-performance hydrogen storage solutions. The findings from this work have the potential to impact the field of hydrogen fuel technology significantly, offering insights and advancements that support the transition to sustainable energy systems.

Keywords: hydrogen storage, density functional theory, electronic, thermal stability

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Authors: Anastasios Zopiatis, Antonis L. Theocharous

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In the midst of a fierce war for talent, the hospitality industry is seeking new and innovative ways to enrich its image as an employer of choice and not a necessity. Historically, the industry’s professions are portrayed as ‘unattractive’ due to their repetitious nature, long and unsocial working schedules, below average remunerations, and the mental and physical demands of the job. Aligning with the industry, hospitality and tourism scholars embarked on a journey to investigate pertinent topics with the aim of enhancing our conceptual understanding of the elements that influence employees at the hospitality world of work. Topics such as job involvement, commitment, job and career satisfaction, and turnover intentions became the focal points in a multitude of relevant empirical and conceptual investigations. Nevertheless, gaps or inconsistencies in existing theories, as a result of both the volatile complexity of the relationships governing human behavior in the hospitality workplace, and the academic community’s unopposed acceptance of theoretical frameworks mainly propounded in the United States and United Kingdom years ago, necessitate our continuous vigilance. Thus, in an effort to enhance and enrich the discourse, we set out to investigate the relationship between intrinsic and extrinsic job satisfaction traits and the individual’s career satisfaction, and subsequent intention to remain in the hospitality industry. Reflecting on existing literature, a quantitative survey was developed and administered, face-to-face, to 650 individuals working as full-time employees in 4- and 5- star hotel establishments in Cyprus, whereas a multivariate statistical analysis method, namely Structural Equation Modeling (SEM), was utilized to determine whether relationships existed between constructs as a means to either accept or reject the hypothesized theory. Findings, of interest to both industry stakeholders and academic scholars, suggest that the individual’s future intention to remain within the industry is primarily associated with extrinsic job traits. Our findings revealed that positive associations exist between extrinsic job traits, and both career satisfaction and future intention. In contrast, when investigating the relationship of intrinsic traits, a positive association was revealed only with career satisfaction. Apparently, the local industry’s environmental factors of seasonality, excessive turnover, overdependence on seasonal, and part-time migrant workers, prohibit industry stakeholders in effectively investing the time and resources in the development and professional growth of their employees. Consequently intrinsic job satisfaction factors such as advancement, growth, and achievement, take backstage to the more materialistic extrinsic factors. Findings from the subsequent mediation analysis support the notion that intrinsic traits can positively influence future intentions indirectly only through career satisfaction, whereas extrinsic traits can positively impact both career satisfaction and future intention both directly and indirectly.

Keywords: career satisfaction, Cyprus, hotel employees, structural equation modeling, SEM

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Authors: Yohanna Panshak

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The impact of macroeconomic instability on economic growth and prosperity has been at forefront in many discourses among researchers and policy makers and has generated a lot of controversies over the years. This has generated series of research efforts towards understanding the remote causes of this phenomenon; its nature, determinants and how it can be targeted and mitigated. While others have opined that the root cause of macroeconomic flux in Nigeria is attributed to Oil-Price volatility, others viewed the issue as resulting from some constellation of structural constraints both within and outside the shores of the country. Research works of scholars such as [Akpan (2009), Aliyu (2009), Olomola (2006), etc] argue that oil volatility can determine economic growth or has the potential of doing so. On the contrary, [Darby (1982), Cerralo (2005) etc] share the opinion that it can slow down growth. The earlier argument rest on the understanding that for a net balance of oil exporting economies, price upbeat directly increases real national income through higher export earnings, whereas, the latter allude to the case of net-oil importing countries (which experience price rises, increased input costs, reduced non-oil demand, low investment, fall in tax revenues and ultimately an increase in budget deficit which will further reduce welfare level). Therefore, assessing the precise impact of oil price volatility on virtually any economy is a function of whether it is an oil-exporting or importing nation. Research on oil price volatility and its outcome on the growth of the Nigerian economy are evolving and in a march towards resolving Nigeria’s macroeconomic instability as long as oil revenue still remain the mainstay and driver of socio-economic engineering. Recently, a major importer of Nigeria’s oil- United States made a historic breakthrough in more efficient source of energy for her economy with the capacity of serving significant part of the world. This undoubtedly suggests a threat to the exchange earnings of the country. The need to understand fluctuation in its major export commodity is critical. This paper leans on the Renaissance growth theory with greater focus on theoretical work of Lee (1998); a leading proponent of this school who makes a clear cut of difference between oil price changes and oil price volatility. Based on the above background, the research seeks to empirically examine the impact oil-price volatility on government expenditure using quarterly time series data spanning 1986:1 to 2014:4. Vector Auto Regression (VAR) econometric approach shall be used. The structural properties of the model shall be tested using Augmented Dickey-Fuller and Phillips-Perron. Relevant diagnostics tests of heteroscedasticity, serial correlation and normality shall also be carried out. Policy recommendation shall be offered on the empirical findings and believes it assist policy makers not only in Nigeria but the world-over.

Keywords: oil-price, volatility, prosperity, budget, expenditure

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Authors: Ammar Benamrani

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This work investigates the equation of state parameters, elastic constants, and several other physical properties of (B2-type) Yttrium-Copper (YCu) rare earth intermetallic compound using the projected augmented wave (PAW) pseudopotentials method as implemented in the Quantum Espresso code. Using both the local density approximation (LDA) and the generalized gradient approximation (GGA), the finding of this research on the lattice parameter of YCu intermetallic compound agree very well with the experimental ones. The obtained results of the elastic constants and the Debye temperature are also in general in good agreement compared to the theoretical ones reported previously in literature. Furthermore, several thermodynamic properties of YCu intermetallic compound have been studied using quasi-harmonic approximations (QHA). The calculated data on the thermodynamic properties shows that the free energy and both isothermal and adiabatic bulk moduli decrease gradually with increasing of the temperature, while all other thermodynamic quantities increase with the temperature.

Keywords: Yttrium-Copper intermetallic compound, thermo_pw package, elastic constants, thermodynamic properties

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Authors: Hossein Emari, Hossein Vazifehdoust, Hashem Nikoo Maram

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This study aims to develop an original framework of Environmental Consciousness (EC) to explore the positive effect of environmental consciousness on financial performance through the partial mediator - green intellectual capital. A questionnaire survey on the environmental consciousness, intellectual capital, and financial performance of Iran’s manufacturing firms was conducted, and 324 samples were analyzed. This study utilizes structural equation modeling to explore the direct and indirect influences of EC on financial performance. Research results reveal that environmental consciousness had an indirect impact on financial performance through investment in green intellectual capital. It was thus known that green intellectual capital is a mediator of the relationship between environmental consciousness and financial performance. This paper may serve as a reference for firms mapping out future environmental policies and provide an input of various perspectives and arguments into the discipline of green management.

Keywords: environmental consciousness, social responsibility, green intellectual capital, financial performance

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Authors: Song Qingfeng

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This research aims to seek the relationship between social media usage and overtourism from the perspective of tourists based on the theory of Maslow’s hierarchy needs. A questionnaire is formulated to collect data from 400 tourists who have visited the Hangzhou city in China in the last 12 months. Structural Equation Model (SEM) is employed to analysis data. The finding is that social media usage aggravates overtourism. Specifically, social media is used by tourists to information-seeking, entertainment, self-presentation, and socialization for traveling. These roles of social media would evoke the traveling intention to a specific destination at a certain time, which further influences the tourist flow. When the tourist flow concentrate, the overtourism would be aggravated. This study contributes to the destination managers to deep-understand the cause-effect relationship between social media and overtourism in order to address this problem.

Keywords: social media, overtourism, tourist flow, SEM, Maslow’s hierarchy of needs, Hangzhou

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Authors: Sangil Han, In Su Kim

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Transition-metal-catalyzed C–H bond activation and its subsequent functionalization has been one of the most attractive topics in organic synthesis because of its remarkable potential for atom economy and environmental sustainability. In this addition, a variety of C(sp2)–H functionalization has been developed under metal catalysis in the past decade. Recently, much attention has been moved towards the C(sp3)–H functionalization events, which continue to be a challenging issue. In this area, directing group assisted sp3 C–H functionalization has been explored by use of amides, carboxylic acids, oximes, N-heterocycles, and etc. In particular, 8-methylquinolines have been found as good substrates for sp3 C–H functionalization due to its ability to form cyclometalated complexes. Succinimides have been recognized as privileged structural cores found in a number of bioactive natural products, pharmaceuticals, and functional materials. Furthermore, the reduced derivatives such as pyrrolidines and γ-lactams have been also found in a large number of pharmaceutical relevant molecules, thus making them one of the most important and promising compounds. We herein describe the first C(sp3)–H activation of 8-methylquinolines and subsequent functionalization with maleimides to afford various succinimide derivatives.

Keywords: C(sp3)–H activation, 8-methylquinolines, maleimides, succinimides

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Authors: Yee Hooi Min, Mohdnasir Abdul Hadi

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Tensioned membrane structure in the form of Enneper minimal surface can be considered as a sustainable development for the green environment and technology, it also can be used to support the effectiveness used of energy and the structure. Soap film in the form of Enneper minimal surface model has been studied. The combination of shape and internal forces for the purpose of stiffness and strength is an important feature of membrane surface. For this purpose, form-finding using soap film model has been carried out for Enneper minimal surface models with variables u=v=0.6 and u=v=1.0. Enneper soap film models with variables u=v=0.6 and u=v=1.0 provides an alternative choice for structural engineers to consider the tensioned membrane structure in the form of Enneper minimal surface applied in the building industry. It is expected to become an alternative building material to be considered by the designer.

Keywords: Enneper, minimal surface, soap film, tensioned membrane structure

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Authors: Joseph Akyeh, Abdul Samed Muntaka, Emmanuel Anin, Dorcas Nuertey

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Purpose: This study develops and tests arguments that the relationship between technology alignment and supply chain performance is conditional upon levels of technology championing. Methodology: The proposed relationships are tested on a sample of 217 hospitals in a major sub-Saharan African economy. Findings: Findings from the study indicate that technology alignment has a positive and significant effect on supply chain performance. The study further finds that while technology championing strengthens the direct effects of technology alignment on supply chain performance. Theoretical Contributions: A theoretical contribution from this study is the finding that when technology alignment drives supply chain performance is more complex than previously thought it depends on whether or not technology alignment is first championed by top management. Originality: Though some studies have been conducted on technology alignment and health supply chain performance, to the best of the researcher’s knowledge, no previous study has examined the moderating role of technology championing the link between technology alignment and supply chain performance.

Keywords: technology alignment, supply chain performance, technology championing, structural equation modelling

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Authors: Michiko Miyamoto

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This paper empirically investigates whether information technology (IT) strategies, business strategies, and divisions are aligned to meet overall business goals for Korean Small and medium-sized enterprises (SMEs), based on structure based Strategic Alignment Model, and make comparison with those of Japanese SMEs. Using 2,869 valid responses of Korean Human Capital Corporate Panel survey, a result of this study suggests that Korean human resources (HR) departments have a major influence over IT strategy, which is the same as Japanese SMEs, even though their management styles are quite different. As for IT strategy, it is not related to other departments at all for Korean SMEs. The Korean management seems to possess a great power over each division, such as Sales/Service, Research and Development/Technical Experts, HR, and Production.

Keywords: IT-business alignment, structured based strategic alignment model, structural equation model, human resources department

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Authors: Albert Gyamfi

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Cocoa plays critical role in the socio-economic development of Ghana. Meanwhile, smallholder farmers most of whom are illiterate dominate the industry. According to the cocoa-based agricultural knowledge and information system (AKIS) model knowledge is created and transferred to the industry between three key actors: cocoa researchers, extension experts, and cocoa farmers. Dwelling on the SECI model, the media richness theory (MRT), and the AKIS model, a conceptual model of web 2.0-based AKIS model (AKIS 2.0) is developed and used to assess the possible effects of social media usage for knowledge creation in the Ghanaian cocoa industry. A mixed method approach with a survey questionnaire was employed, and a second-order multi-group structural equation model (SEM) was used to analyze the data. The study concludes that the use of web 2.0 applications for knowledge creation would lead to sustainable interactions among the key knowledge actors for effective knowledge creation in the cocoa industry in Ghana.

Keywords: agriculture, cocoa, knowledge, media, web 2.0

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Authors: Ram Bikram Thapa, Ganesh Lama

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The Micro Hydro is one of the successful technology in Rural Nepal. Kavre is one of the pioneer district of sustainability of Micro Hydro Projects. A total of 30 Micro Hydro projects have been constructed with producing 700 KW of energy in northern side of the Kavre district. This study shows that 67% of projects have been affected by devastating earthquake in April and May, 2015. Out of them 23% are completely damaged. Most of the structures are failure like Penstock 71%, forebay 21%, powerhouse 7% have been completely damaged and 91% Canal & 44% Intake structures have been partially damaged by the earthquake. This paper empathizes that the engineering design is the vital component for sustainability of Micro Hydro Projects. This paper recommended that technicians should be considered the safety factor of earthquake and provision of disaster recovery fund during design of Micro Hydro Projects.

Keywords: micro hydro, earthquake, structural failure, sustainability

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Authors: Muhammmad Fawad

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The bridge construction industry has been revolutionized by the applications of Virtual Reality (VR) and Augmented Reality (AR). In this article, the author has focused on the field applications of digital technologies in structural, especially in bridge engineering. This research analyzed the use of VR/AR for the assessment of bridge concepts. For this purpose, the author has used Cyber-Physical Devices, i.e., Oculus Quest (OQ) for the implementation of VR, Trimble Microsoft HoloLens (THL), and Trimble Site Vision (TSV) for the implementation of AR/MR by visualizing the models of bridge planned to be constructed in Poland. The visualization of the models in Extended Reality (XR) is based on the development of BIM models of the bridge, which are further uploaded to the platforms required to implement these models in XR. This research helped to implement the models in MR so a bridge with a 1:1 scale at the exact location was placed, and authorities were presented with the possibility to visualize the exact scale and location of the bridge before its construction.

Keywords: augmented reality, virtual reality, HoloLens, BIM, bridges

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Authors: Natcha Lueangapapong, Chariya Chuthapisith, Lunliya Thampratankul

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Background: There is a need to find an appropriate tool to help healthcare providers determine sleep problems in children for early diagnosis and management. The Japanese Sleep Questionnaire for Preschoolers (JSQ-P) is a parent-reported sleep questionnaire that has good psychometric properties and can be used in the context of Asian culture, which is likely suitable for Thai children. Objectives: This study aimed to translate and validate the Japanese Sleep Questionnaire for Preschoolers (JSQ-P) into a Thai version and to evaluate factors associated with sleep disorders in preschoolers. Methods: After approval by the original developer, the cross-cultural adaptation process of JSQ-P was performed, including forward translation, reconciliation, backward translation, and final approval of the Thai version of JSQ-P (TH-JSQ-P) by the original creator. This study was conducted between March 2021 and February 2022. The TH-JSQ-P was completed by 2,613 guardians whose children were aged 2-6 years twice in 10-14 days to assess its reliability and validity. Content validity was measured by an index of item-objective congruence (IOC) and a content validity index (CVI). Face validity, content validity, structural validity, construct validity (discriminant validity), criterion validity and predictive validity were assessed. The sensitivity and specificity of the TH-JSQ-P were also measured by using a total JSQ-P score cutoff point 84, recommended by the original JSQ-P and each subscale score among the clinical samples of obstructive sleep apnea syndrome. Results: Internal consistency reliability, evaluated by Cronbach’s α coefficient, showed acceptable reliability in all subscales of JSQ-P. It also had good test-retest reliability, as the intraclass correlation coefficient (ICC) for all items ranged between 0.42-0.84. The content validity was acceptable. For structural validity, our results indicated that the final factor solution for the Th-JSQ-P was comparable to the original JSQ-P. For construct validity, age group was one of the clinical parameters associated with some sleep problems. In detail, parasomnias, insomnia, daytime excessive sleepiness and sleep habits significantly decreased when the children got older; on the other hand, insufficient sleep was significantly increased with age. For criterion validity, all subscales showed a correlation with the Epworth Sleepiness Scale (r = -0.049-0.349). In predictive validity, the Epworth Sleepiness Scale was significantly a strong factor that correlated to sleep problems in all subscales of JSQ-P except in the subscale of sleep habit. The sensitivity and specificity of the total JSQ-P score were 0.72 and 0.66, respectively. Conclusion: The Thai version of JSQ-P has good internal consistency reliability and test-retest reliability. It passed 6 validity tests, and this can be used to evaluate sleep problems in preschool children in Thailand. Furthermore, it has satisfactory general psychometric properties and good reliability and validity. The data collected in examining the sensitivity of the Thai version revealed that the JSQ-P could detect differences in sleep problems among children with obstructive sleep apnea syndrome. This confirmed that the measure is sensitive and can be used to discriminate sleep problems among different children.

Keywords: preschooler, questionnaire, validation, Thai version

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Authors: L. Aparecida Bastos, J. Leige Lopes, J. Crepaldi, R. Monteiro da Silva

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The objective of this study is to analyze the evolution of some social and economic indicators of Mercosur´s economies from 1980 to 2012, based on the statistics of the Latin American Integration Association (LAIA). The objective is to observe if after the accession of these economies to Mercosur (the first accessions occurred in 1994) these indicators showed better performance, in order to demonstrate if economic integration contributed to improved trade, macroeconomic performance, and level of social and economic development of member countries. To this end, the methodologies used will be a literature review and descriptive statistics. The theoretical framework that guides the work are the theories of Integration: Classical Liberal, Marxist and structural-proactive. The results reveal that most social and economic indicators showed better performance in those economies that joined Mercosur after 1994. This work is the result of an investigation already completed.

Keywords: economic integration, Mercosur, social indicators, economic indicators

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Authors: Sanjay Patil, Shakil A. Kagzi, Harit K. Raval

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Tailor Welded Blanks (TWB) are utilized in automotive industries widely because of their advantage of weight and cost reduction and maintaining required strength and structural integrity. TWB consist of two or more sheet having dissimilar or similar material and thickness; welded together to form a single sheet before forming it to desired shape. Forming of the tailor welded blank is affected by ratio of thickness of blanks, ratio of their strength, etc. mainly due to in-homogeneity of material. In the present work the relative effect of these parameters on weld line movement is studied during deep drawing of TWB using FE simulation using HYPERWORKS. The simulation is validated with results from the literature. Simulations were than performed based on Taguchi orthogonal array followed by the ANOVA analysis to determine the significance of these parameters on forming of TWB.

Keywords: ANOVA, deep drawing, Tailor Welded Blank (TWB), weld line movement

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Authors: Soulef Amamria, Mohamed Sadok Bensalem, Mohamed Ghanmi

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The structural and sedimentological study of fault-related- folds in the Southern Tunisian Atlas is distinguished by a special geometry of the gravitational structures. This distinct geometry is observable in the example of a flap structure in Jebel Ben Zannouch with the formation of a stuck syncline. This geometry can be explained by the mechanism of major thrusting in Orbata anticline in the occidental extremity of Gafsa chains, with asymmetrical flank dips and hinge migration kinematics. These kinematics was originally controlled by the Breakthrough structure; the study of this special geometry of gravity flap structure depends on the sedimentation domain, shortening ratios, and erosion speed. This study constitutes one of the complete examples of kinematic model validation on a field scale.

Keywords: fault-related-folds, southern Tunisian Atlas, flap structure, breakthrough

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Authors: Richard Renou, Laurent Soulard

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Lasers are widely used in glass material processing, from waveguide fabrication to channel drilling. The gradual damage of glass optics under UV lasers is also an important issue to be addressed. Glass materials (including metallic glasses) can undergo a permanent densification under laser-induced shock loading. Despite increased interest on interactions between laser and glass materials, little is known about the structural mechanisms involved under shock loading. For example, the densification process in silica glasses occurs between 8 GPa and 30 GPa. Above 30 GPa, the glass material returns to the original density after relaxation. Investigating these unusual mechanisms in silica glass will provide an overall better understanding in glass behaviour. Non-Equilibrium Molecular Dynamics simulations (NEMD) were carried out in order to gain insight on the silica glass microscopic structure under shock loading. The shock was generated by the use of a piston impacting the glass material at high velocity (from 100m/s up to 2km/s). Periodic boundary conditions were used in the directions perpendicular to the shock propagation to model an infinite system. One-dimensional shock propagations were therefore studied. Simulations were performed with the STAMP code developed by the CEA. A very specific structure is observed in a silica glass. Oxygen atoms around Silicon atoms are organized in tetrahedrons. Those tetrahedrons are linked and tend to form rings inside the structure. A significant amount of empty cavities is also observed in glass materials. In order to understand how a shock loading is impacting the overall structure, the tetrahedrons, the rings and the cavities were thoroughly analysed. An elastic behaviour was observed when the shock pressure is below 8 GPa. This is consistent with the Hugoniot Elastic Limit (HEL) of 8.8 GPa estimated experimentally for silica glasses. Behind the shock front, the ring structure and the cavity distribution are impacted. The ring volume is smaller, and most cavities disappear with increasing shock pressure. However, the tetrahedral structure is not affected. The elasticity of the glass structure is therefore related to a ring shrinking and a cavity closing. Above the HEL, the shock pressure is high enough to impact the tetrahedral structure. An increasing number of hexahedrons and octahedrons are formed with the pressure. The large rings break to form smaller ones. The cavities are however not impacted as most cavities are already closed under an elastic shock. After the material relaxation, a significant amount of hexahedrons and octahedrons is still observed, and most of the cavities remain closed. The overall ring distribution after relaxation is similar to the equilibrium distribution. The densification process is therefore related to two structural mechanisms: a change in the coordination of silicon atoms and a cavity closing. To sum up, non-equilibrium molecular dynamics were carried out to investigate silica behaviour under shock loading. Analysing the structure lead to interesting conclusions upon the elastic and the densification mechanisms in glass materials. This work will be completed with a detailed study of the mechanism occurring above 30 GPa, where no sign of densification is observed after the material relaxation.

Keywords: densification, molecular dynamics simulations, shock loading, silica glass

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Authors: N. F. F. Ebecken, G. C. Pereira

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Ecological systems are exposed and are influenced by various natural and anthropogenic disturbances. They produce various effects and states seeking response symmetry to a state of global phase coherence or stability and balance of their food webs. This research project addresses the development of a computational methodology for modeling plankton food webs. The use of algorithms to establish connections, the generation of representative fuzzy multigraphs and application of technical analysis of complex networks provide a set of tools for defining, analyzing and evaluating community structure of coastal aquatic ecosystems, beyond the estimate of possible external impacts to the networks. Thus, this study aims to develop computational systems and data models to assess how these ecological networks are structurally and functionally organized, to analyze the types and degree of compartmentalization and synchronization between oscillatory and interconnected elements network and the influence of disturbances on the overall pattern of rhythmicity of the system.

Keywords: ecological networks, plankton food webs, fuzzy multigraphs, dynamic of networks

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Authors: Azhar Alhasawi, Vasu D. Appanna

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Chitin, the second most abundant bio-polymer in nature after cellulose, composed of β (1→4) linked N-acetylglucosamine (GlcNAc), is a major structural component in the cell walls of fungi and the shells of crustaceans. Chitin and its derivatives are gaining importance of economic value due to its biological activity and its industrial and biomedical applications. There are several methods to hydrolyze chitin to NAG, but they are typically expensive and environmentally unfriendly. Chitinase which catalyzes the breakdown of chitin to NAG has received much attention owing to its various applications in biotechnology. The presented research examines the ability of the versatile soil microbe, Pseudomonas fluorescens grown in chitin medium to produce chitinase and a variety of value-added products under abiotic stress. We have found that with high pH, Pseudomonas fluorescens enable to metabolize chitin more than with neutral pH and the overexpression of chitinase was also increased. P-dimethylaminobenzaldehyde (DMAB) assay for NAG production will be monitored and a combination of sodium dodecyl polyacrylamide gels will be used to monitor the proteomic and metabolomic changes as a result of the abiotic stress. The bioreactor of chitinase will also be utilized.

Keywords: Pseudomonas fluorescens, chitin, DMAB, chitinase

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Authors: Noor Ul Ain Bhatti, M. Junaid Khan, Javed Ahmad, Murtaza Saleem, Shahid M. Ramay, Saadat A. Siddiqi

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Manganese oxide is being recently used as electrode material for rechargeable batteries. In this study, Al incorporated Mn₂O₃ compositions were synthesized to study the effect of Al doping on electrochemical performance of host material. Structural studies were carried out using X-ray diffraction analysis to confirm the phase stability and explore the lattice parameters, crystallite size, lattice strain, density and cell volume. Morphology and composition were analyzed using field emission scanning electron microscope and energy dispersive X-ray spectroscopy, respectively. Dynamic light scattering analysis was performed to observe the average particle size of the compositions. FTIR measurements exhibit the O-Al-O and O-Mn-O and Al-O bonding and with increasing the concentration of Al, the vibrational peaks of Mn-O become sharper. An enhanced electrochemical performance was observed in compositions with higher Al content.

Keywords: Mn2O3, electrode materials, energy storage and conversion, electrochemical performance

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Authors: Viktória Sugár, Attila Talamon, András Horkai, Michihiro Kita

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The dense urban fabric of the 7^th district of Budapest -known as the former Jewish Quarter-, contains mainly historical style, multi-story tenement houses with courtyards. The high population density and the unsatisfactory energetic state of the buildings result high energy consumption. As a preliminary survey of a complex rehabilitation plan, the authors aim to determine the energy demand of the area. The energy demand was calculated by analyzing the structure and the energy consumption of each building by using Geographic Information System (GIS) methods. The carbon dioxide emission was also calculated, to assess the potential of reducing the present state value by complex structural and energetic rehabilitation. As a main focus of the survey, an energy intensity map has been created about the area.

Keywords: CO₂, energy intensity map, geographic information system (GIS), Hungary, Jewish quarter, rehabilitation

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Authors: Shahriyar Keshtgar, Mahmoud Reza Heyhat, Sasan Bagheri, Ebrahim Gholami, Seyed Naser Raiisosadat

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The eastern Iranian range is a Z-shaped sigmoidal outcrop appearing with a NS-trending general strike on the satellite images, has already been known as the Sistan suture zone, recently identified as the product of an orogenic event introduced either by the Paleogene or Sistan orogen names. The flysch sedimentary basin of eastern Iran was filled by a huge volume of fine-grained Eocene turbiditic sediments, smaller amounts of pelagic deposits and Cretaceous ophiolitic slices, which are entirely remnants of older accretionary prisms appeared in a fold-thrust belt developed onto a subduction zone under the Lut/Afghan block, portions of the Cimmerian superterrane. In these ranges, there are Triassic sedimentary and carbonate sequences (equivalent to Nayband and Shotori Formations) along with scattered outcrops of Permian limestones (equivalent to Jamal limestone) and greenschist-facies metamorphic rocks, probably belonging to the basement of the Lut block, which have tectonic contacts with younger rocks. Moreover, the younger Eocene detrital-volcanic rocks were also thrusted onto the Cretaceous or younger turbiditic deposits. The first generation folds (parallel folds) and thrusts with slaty cleavage appeared parallel to the NE edge of the Lut block. Structural analysis shows that the most vergence of thrusts is toward the southeast so that the Permo-Triassic units in Lut have been thrusted on the younger rocks, including older (probably Jurassic) granites. Additional structural studies show that the regional transport direction in this deformation event is from northwest to the southeast where, from the outside to the inside of the orogen in the Sechengi area. Younger thrusts of the second deformation event were either directly formed as a result of the second deformation event, or they were older thrusts that reactivated and folded so that often, two sets or more slickenlines can be recognized on the thrust planes. The recent thrusts have been redistributed in directions nearly perpendicular to the edge of the Lut block and parallel to the axial surfaces of the northwest second generation large-scale folds (radial folds). Some of these younger thrusts follow the out-of-the-syncline thrust system. The both axial planes of these folds and associated penetrative shear cleavage extended towards northwest appeared with both northeast and southwest dips parallel to the younger thrusts. The large-scale buckling with the layer-parallel stress field has created this deformation event. Such consecutive deformation events perpendicular to each other cannot be basically explained by the simple linear orogen models presented for eastern Iran so far and are more consistent with the oroclinal buckling model.

Keywords: thrust, tectonic vergence, orocline buckling, sechangi, eastern iranian ranges

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Authors: A. Sengouga, Y. Imessaoudene, A. Semar, B. Mouhouche, M. Kadir

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Biskra or Zibans, is located in a structural transition zone between the chain of the Saharan Atlas Mountains and the Sahara. It is an arid region where the superficial water resource is the mild, hence the importance of the lithological description and the evaluation of aquifers rock’s volumes, which are highly dependent on the mobilized water contained in the various reservoirs (Quaternary, Mio-Pliocene, Eocene and Continental intercalary). Through a data synthesis which is particularly based on stratigraphic logs of drilling, the description of aquifers heterogeneity and the determining of the spatial variability of aquifer appearance became possible, by using geostatistical analysis, which allowed the representation of the aquifer thicknesses mapping and their space variation. The different thematic maps realized focus on drilling position, the substratum shape and finally the aquifers thicknesses of the region. It is found that the high density of water points especially these of drilling points are superposed on the hydrologic reservoirs with significant thicknesses.

Keywords: log stratigraphic ArcGIS 10, geometry of aquifers, rocks reservoir volume, Biskra

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Authors: Badis Kahouadji, Lakhdar Guerbous, Lyes Lamiri

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For many years, the luminescent materials were investigated principally in the infrared and visible areas, because the ultraviolet (UV) and especially in vacuum Ultraviolet (VUV) are technically more difficult to explore, especially absence of applications requiring of materials suitable to short wavelengths.Recent necessary, related to the development of certain technologies, encouraged research in these spectra domains. It is in this context that the 4Fn-4Fn-1 5d transitions of rare earth in insulating materials, lying in the UV and VUV, are the aim of large number of studies. These studies relate in particular to search for new scintillator materials used for spectroscopy and X-ray, ɤ, as well as medical imaging. The 4Fn- 4Fn-15d transitions of the rare earth dependent to the host-matrix, several matrices ions were used to study these transitions, in this work we are suggeting to study on a very specific class of inorganic scintillators that are orthophosphate doped with rare earth ions, this study focused on the Pr3+ concentration on the structural and optical properties of Pr3+ doped YPO4 (yttriumorthophosphate) with powder form prepared by the Sol Gel method.

Keywords: rare earth, scintillator, YPO4:Pr3+ nanophosphors, sol gel, 4Fn-4Fn-15d transitions

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Authors: Levan Nadareishvili, Roland Bakuradze, Barbara Kilosanidze, Nona Topuridze, Liana Sharashidze, Ineza Pavlenishvili

Abstract:

Some regularities of formation of a new structural state of the thermoplastic polymers-gradually oriented (stretched) state (GOS) are discussed. Transition into GOS is realized by the graded oriented stretching-by action of inhomogeneous mechanical field on the isotropic linear polymers or by zonal stretching that is implemented on a standard tensile-testing machine with using a specially designed zone stretching device (ZSD). Both technical approaches (especially zonal stretching method) allows to manage the such quantitative parameters of gradually oriented polymers as a range of change in relative elongation/orientation degree, length of this change and profile (linear, hyperbolic, parabolic, logarithmic, etc.). Uniaxial graded stretching method should be considered as an effective technological solution to create polymer materials with a predetermined gradient of physical properties.

Keywords: controlled graded stretching, gradually oriented state, linear polymers, zone stretching device

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Authors: Gupta. Ashok, V. talakokula, S. bhalla

Abstract:

Rebar corrosion is one of the main causes of damage and premature failure of the reinforced concrete (RC) structures worldwide, causing enormous costs for inspection, maintenance, restoration and replacement. Therefore, early detection of corrosion and timely remedial action on the affected portion can facilitate an optimum utilization of the structure, imparting longevity to it. The recent advent of the electro-mechanical impedance (EMI) technique using piezo sensors (PZT) for structural health monitoring (SHM) has provided a new paradigm to the maintenance engineers to diagnose the onset of the damage at the incipient stage itself. This paper presents a model based approach for corrosion assessment based on the equivalent parameters extracted from the impedance spectrum of concrete-rebar system using the EMI technique via the PZT sensors.

Keywords: impedance, electro-mechanical, stiffness, mass, damping, equivalent parameters

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Authors: A. Aarabzadeh, R. Hizaji

Abstract:

Reinforced Concrete (RC) deep beams are a special type of beams due to their geometry, boundary conditions, and behavior compared to ordinary shallow beams. For example, assumption of a linear strain-stress distribution in the cross section is not valid. Little study has been dedicated to fixed-end RC deep beams. Also, most experimental studies are carried out on simply supported deep beams. Regarding recent tendency for application of deep beams, possibility of using fixed-ended deep beams has been widely increased in structures. Therefore, it seems necessary to investigate the aforementioned structural element in more details. In addition to experimental investigation of a concrete deep beam under cyclic load, different failure mechanisms of fixed-ended deep beams under this type of loading have been evaluated in the present study. The results show that failure mechanisms of deep beams under cyclic loads are quite different from monotonic loads.

Keywords: deep beam, cyclic load, reinforced concrete, fixed-ended

Procedia PDF Downloads 361

Authors: Seyedeh Pardis Hosseini

Abstract:

With increased levels of clean and affordable water scarcity crises in many countries, wastewater treatment has been chosen as a viable method to produce freshwater for various consumptions. Even though reverse osmosis dominates the wastewater treatment market, forward osmosis (FO) processes have significant advantages, such as potentially using a renewable and low-grade energy source and improving water quality. FO is an osmotically driven membrane process that uses a high concentrated draw solution and a relatively low concentrated feed solution across a semi-permeable membrane. Among many novel FO membranes that have been introduced over the past decades, polybenzimidazole (PBI) membranes, a class of aromatic heterocyclic-based polymers, have shown high thermal and chemical stability because of their unique chemical structure. However, the studies reviewed indicate that the hydrophilicity of PBI membranes is comparatively low. Hence, there is an urgent need to develop novel FO membranes with modified PBI polymers to promote hydrophilicity. A few studies have been undertaken to improve the PBI hydrophilicity by fabricating mixed matrix polymeric membranes and surface modification. Thereby, in this study, two different sulfonated polybenzimidazole (SPBI) polymers with the same backbone but different functional groups, namely arylsulfonate PBI (PBI-AS) and propylsulfonate PBI (PBI-PS), are introduced as FO membranes and studied via the molecular dynamics (MD) simulation method. The FO simulation box consists of three distinct regions: a saltwater region, a membrane region, and a pure-water region. The pure-water region is situated at the upper part of the simulation box, while the saltwater region, which contains an aqueous salt solution of Na+ and Cl− ions along with water molecules, occupies the lower part of the simulation box. Specifically, the saltwater region includes 710 water molecules and 24 Na+ and 24 Cl− ions, resulting in a combined concentration of 10 weight percent (wt%). The pure-water region comprises 788 water molecules. Both the saltwater and pure-water regions have a density of 1.0 g/cm³. The membrane region, positioned between the saltwater and pure-water regions, is constructed from three types of polymers: PBI, PBI-AS, and PBI-PS, each consisting of three polymer chains with 30 monomers per chain. The structural and thermophysical properties of the polymers, water molecules, and Na+ and Cl− ions were analyzed using the COMPASS forcefield. All simulations were conducted using the BIOVIA Materials Studio 2020 software. By monitoring the variation in the number of water molecules over the simulation time within the saltwater region, the water permeability of the polymer membranes was calculated and subsequently compared. The results indicated that SPBI polymers exhibited higher water permeability compared to PBI polymers. This enhanced permeability can be attributed to the structural and compositional differences between SPBI and PBI polymers, which likely facilitate more efficient water transport through the membrane. Consequently, the adoption of SPBI polymers in the FO process is anticipated to result in significantly improved performance. This improvement could lead to higher water flux rates, better salt rejection, and overall more efficient use of resources in desalination and water purification applications.

Keywords: forward osmosis, molecular dynamics simulation, sulfonated polybenzimidazole, water permeability

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Authors: Keri̇m Emre Öksüz, Şaduman Şen, Uğur Şen

Abstract:

0.5 wt. % B2O3–doped Ba (Ti1-xZrx) O3, (x=0-0.4) lead-free nanoceramics were synthesized using the solid-state reaction method by adopting the ball milling technique. The influence of the substitution content on crystallographic structure, phase transition, microstructure and sintering behaviour of BT and BZT ceramics were investigated. XRD analysis at room temperature revealed a structural transformation from tetragonal to rhombohedral with enhancement of ZrO2 content in the barium titanate matrix. The scanning electron microscope (SEM) and energy-dispersive X-ray spectroscopy (EDS) were used to investigate microstructure and surface morphology of the sintered samples. The evolution of the Raman spectra was studied for various compositions, and the spectroscopic signature of the corresponding phase was determined. Scanning Electron Microscope (SEM) observations revealed enhanced microstructural uniformity and retarded grain growth with increasing Zr content.

Keywords: BaTiO3, barium-titanate-zirconate, nanoceramics, raman spectroscopy

Procedia PDF Downloads 342