Search results for: computer dynamics modelling

Authors: Jhabakhar Aryal, Kesh Bahadur Rana, Durga Prasad Neupane

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This research analyzes the nature and impacts of the 2015 unofficial blockade in Nepal, a significant event that triggered an economic and humanitarian crisis. While official channels denied claims of involvement, Nepal perceived the blockade as orchestrated by India due to concerns about the newly adopted constitution and Madheshi infringements. The study adopts a qualitative approach, utilizing semi-structured interviews, document analysis, and content analysis to gather data from various perspectives. Employing a "colonial hangover lens," it investigates if colonial legacies continue to influence postcolonial nation dynamics, focusing on India's potential attempt to exert influence over Nepal. The findings suggest that the 2015 blockade had profound consequences for Nepal, potentially reflecting lingering colonial power dynamics in the region. Despite India's denials, a significant portion of Nepalis perceived the blockade as an act of external pressure. Examining these perceptions offers valuable insights into postcolonial relations and their impact on regional stability. The 2015 unofficial blockade serves as a critical case study in understanding the complex interplay of internal dynamics, external influences, and historical legacies in shaping the geopolitics of the region. This research contributes to a deeper understanding of these factors and their ongoing implications for Nepal and its relationship with India.

Keywords: blockade, unofficial, constitution, Madhesis, India, Nepal, postcolonial, regional stability, geopolitics

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Authors: Ferdinando Montemari, Antonio Vitale, Nicola Genito, Giovanni Cuciniello

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The introduction of tilt-rotor aircraft into the existing civilian air transportation system will provide beneficial effects due to tilt-rotor capability to combine the characteristics of a helicopter and a fixed-wing aircraft into one vehicle. The disposability of reliable tilt-rotor simulation models supports the development of such vehicle. Indeed, simulation models are required to design automatic control systems that increase safety, reduce pilot's workload and stress, and ensure the optimal aircraft configuration with respect to flight envelope limits, especially during the most critical flight phases such as conversion from helicopter to aircraft mode and vice versa. This article presents a process to build a simplified tilt-rotor simulation model, derived from the analysis of flight data. The model aims to reproduce the complex dynamics of tilt-rotor during the in-flight conversion phase. It uses a set of scheduled linear transfer functions to relate the autopilot reference inputs to the most relevant rigid body state variables. The model also computes information about the rotor flapping dynamics, which are useful to evaluate the aircraft control margin in terms of rotor collective and cyclic commands. The rotor flapping model is derived through a mixed theoretical-empirical approach, which includes physical analytical equations (applicable to helicopter configuration) and parametric corrective functions. The latter are introduced to best fit the actual rotor behavior and balance the differences existing between helicopter and tilt-rotor during flight. Time-domain system identification from flight data is exploited to optimize the model structure and to estimate the model parameters. The presented model-building process was applied to simulated flight data of the ERICA Tilt-Rotor, generated by using a high fidelity simulation model implemented in FlightLab environment. The validation of the obtained model was very satisfying, confirming the validity of the proposed approach.

Keywords: flapping dynamics, flight dynamics, system identification, tilt-rotor modeling and simulation

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Authors: Hadi Manjiri, Mahdyeh Bakhshi, Ali Jafari, Maryam Salati

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This study investigates the influence of e-learning on teacher-student instructional interactions through the mediating role of computer literacy among elementary school teachers in Tehran. The research method is a survey that was conducted among elementary school students in Tehran. A sample size of 338 was determined based on Morgan's table. A stratified random sampling method was used to select 228 women and 110 men for the study. Bagherpour et al.'s computer literacy questionnaire, Elahi et al.'s e-learning questionnaire, and Lourdusamy and Khine's questionnaire on teacher-student instructional interactions were used to measure the variables. The data were analyzed using SPSS and LISREL software. It was found that e-learning affects teacher-student instructional interactions, mediated by teachers' computer literacy. In addition, the results suggest that e-learning predicts a 0.66 change in teacher-student instructional interactions, while computer literacy predicts a 0.56 change in instructional interactions between teachers and students.

Keywords: e-learning, instructional interactions, computer literacy, students

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Authors: Javier Varillas, Jorge Alcalá

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We investigate dislocation avalanche phenomena in face-centered cubic (FCC) and body-centered cubic (BCC) crystals using massive, large-scale molecular dynamics (MD) simulations. The analysis is focused on the intermittent development of dense dislocation arrangements subjected to uniaxial tensile straining under displacement control. We employ a novel computational scheme that allows us to inject an entangled dislocation structure in periodic MD domains. We assess the emission of plastic bursts (or dislocation avalanches) in terms of the sharp stress drops detected in the stress-strain curve. The plastic activity corresponds to the sporadic operation of specific dislocation glide processes exhibiting quiescent periods between successive avalanche events. We find that the plastic intermittences in our simulations do not overlap in time under sufficiently low strain rates as dissipation operates faster than driving, where the dense dislocation networks evolve through the emission of dislocation avalanche events whose carried slip adheres to self-organized power-law distributions. These findings enable the extension of the slip distributions obtained from strict displacement-controlled micropillar compression experiments towards smaller values of slip size. Our results furnish further understanding upon the development of entangled dislocation networks in metal plasticity, including specific mechanisms of dislocation propagation and annihilation, along with the evolution of specific dislocation populations through dislocation density analyses.

Keywords: dislocations, intermittent plasticity, molecular dynamics, slip distributions

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Authors: Aymen Laadhari

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The cardiovascular system is centered on the heart and is characterized by a very complex structure with different physical scales in space (e.g. micrometers for erythrocytes and centimeters for organs) and time (e.g. milliseconds for human brain activity and several years for development of some pathologies). The development and numerical implementation of mathematical models of the cardiovascular system is a tremendously challenging topic at the theoretical and computational levels, inducing consequently a growing interest over the past decade. The accurate computational investigations in both healthy and pathological cases of processes related to the functioning of the human cardiovascular system can be of great potential in tackling several problems of clinical relevance and in improving the diagnosis of specific diseases. In this talk, we focus on the specific task of simulating three particular phenomena related to the cardiovascular system on the macroscopic, mesoscopic and microscopic scales, respectively. Namely, we develop numerical methodologies tailored for the simulation of (i) the haemodynamics (i.e., fluid mechanics of blood) in the aorta and sinus of Valsalva interacting with highly deformable thin leaflets, (ii) the hyperelastic anisotropic behaviour of cardiomyocytes and the influence of calcium concentrations on the contraction of single cells, and (iii) the dynamics of red blood cells in microvasculature. For each problem, we present an appropriate fully Eulerian finite element methodology. We report several numerical examples to address in detail the relevance of the mathematical models in terms of physiological meaning and to illustrate the accuracy and efficiency of the numerical methods.

Keywords: finite element method, cardiovascular system, Eulerian framework, haemodynamics, heart valve, cardiomyocyte, red blood cell

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Authors: Nikola Tomasevic, Marko Batic, Sanja Vranes

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Emerging Semantic Web technologies can be seen as the next step in evolution of the intelligent facility management systems. Particularly, this considers increased usage of open source and/or standardized concepts for data classification and semantic interpretation. To deliver such facility management systems, providing the comprehensive integration and interoperability platform in from of the facility data model is a prerequisite. In this paper, one of the possible modelling approaches to provide such integrative facility data model which was based on the ontology modelling concept was presented. Complete ontology development process, starting from the input data acquisition, ontology concepts definition and finally ontology concepts population, was described. At the beginning, the core facility ontology was developed representing the generic facility infrastructure comprised of the common facility concepts relevant from the facility management perspective. To develop the data model of a specific facility infrastructure, first extension and then population of the core facility ontology was performed. For the development of the full-blown facility data models, Malpensa and Fiumicino airports in Italy, two major European air-traffic hubs, were chosen as a test-bed platform. Furthermore, the way how these ontology models supported the integration and interoperability of the overall airport energy management system was analyzed as well.

Keywords: airport ontology, energy management, facility data model, ontology modeling

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Authors: Biju Lukose

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The objective of the study was to identify the isolated and combined effect of multi-media computer assisted coaching and traditional coaching on selected motor ability component and physiological variables among sports school basketball players. Forty male basketball players aged between 14 to 18 years were selected randomly. They were divided into four groups of three experimental and one control. Isolated multi-media computer assisted coaching, isolated traditional coaching and combined coaching (multimedia computer assisted coaching and traditional coaching) are the three experimental groups. All the three experimental groups were given coaching for 24 weeks and control group were not allowed to participate in any coaching programme. The subjects were tested dependent variables such as speed and cardio vascular endurance; at the beginning (pre-test) in middle 12 week (mid-test) and after the coaching 24 week (post-test). The coaching schedule was for a period of 24 weeks. The data were collected two days before and after the coaching schedule and mid test after the 12 weeks of the coaching schedule. The data were analysed by applying ANCOVA and Scheffe’s Post hoc test. The result showed that there were significant changes in dependent variables such as speed and cardio vascular endurance. The results of the study showed that combined coaching (multimedia computer assisted coaching and traditional coaching) is more superior to traditional coaching and multimedia computer assisted coaching groups and no significant change in speed in the case of isolated multimedia computer assisted coaching group.

Keywords: computer, computer-assisted coaching, multimedia coaching, traditional coaching

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Authors: Mazharuddin Syed Ahmed

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This research presents a framework used to develop The Ara Polytechnic College of Architecture Studies building “Kahukura” which is Green Building certified. This framework integrates the development of a smart building digital twin by utilizing Building Information Modelling (BIM) and its BIM maturity levels, including Levels of Development (LOD), eight dimensions of BIM, Heritage-BIM (H-BIM) and Facility Management BIM (FM BIM). The research also outlines a structured approach to building performance analysis and integration with the circular economy, encapsulated within a five-level digital twin framework. Starting with Level 1, the Descriptive Twin provides a live, editable visual replica of the built asset, allowing for specific data inclusion and extraction. Advancing to Level 2, the Informative Twin integrates operational and sensory data, enhancing data verification and system integration. At Level 3, the Predictive Twin utilizes operational data to generate insights and proactive management suggestions. Progressing to Level 4, the Comprehensive Twin simulates future scenarios, enabling robust “what-if” analyses. Finally, Level 5, the Autonomous Twin, represents the pinnacle of digital twin evolution, capable of learning and autonomously acting on behalf of users.

Keywords: building information modelling, circular economy integration, digital twin, predictive analytics

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Authors: Olivier Delage, Hassan Bencherif, Alain Bourdier

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Signal decomposition approaches represent an important step in time series analysis, providing useful knowledge and insight into the data and underlying dynamics characteristics while also facilitating tasks such as noise removal and feature extraction. As most of observational time series are nonlinear and nonstationary, resulting of several physical processes interaction at different time scales, experimental time series have fluctuations at all time scales and requires the development of specific signal decomposition techniques. Most commonly used techniques are data driven, enabling to obtain well-behaved signal components without making any prior-assumptions on input data. Among the most popular time series decomposition techniques, most cited in the literature, are the empirical mode decomposition and its variants, the empirical wavelet transform and singular spectrum analysis. With increasing popularity and utility of these methods in wide ranging applications, it is imperative to gain a good understanding and insight into the operation of these algorithms. In this work, we describe all of the techniques mentioned above as well as their ability to denoise signals, to capture trends, to identify components corresponding to the physical processes involved in the evolution of the observed system and deduce the dimensionality of the underlying dynamics. Results obtained with all of these methods on experimental total ozone columns and rainfall time series will be discussed and compared

Keywords: denoising, empirical mode decomposition, singular spectrum analysis, time series, underlying dynamics, wavelet analysis

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Authors: Karim Hamidi Machekposhti, Hossein Sedghi, Abdolrasoul Telvari, Hossein Babazadeh

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Floods have huge environmental and economic impact. Therefore, flood prediction is given a lot of attention due to its importance. This study analysed the annual maximum streamflow (discharge) (AMS or AMD) of Karkheh River in Karkheh River Basin for flood predicting using ARIMA model. For this purpose, we use the Box-Jenkins approach, which contains four-stage method model identification, parameter estimation, diagnostic checking and forecasting (predicting). The main tool used in ARIMA modelling was the SAS and SPSS software. Model identification was done by visual inspection on the ACF and PACF. SAS software computed the model parameters using the ML, CLS and ULS methods. The diagnostic checking tests, AIC criterion, RACF graph and RPACF graphs, were used for selected model verification. In this study, the best ARIMA models for Annual Maximum Discharge (AMD) time series was (4,1,1) with their AIC value of 88.87. The RACF and RPACF showed residuals’ independence. To forecast AMD for 10 future years, this model showed the ability of the model to predict floods of the river under study in the Karkheh River Basin. Model accuracy was checked by comparing the predicted and observation series by using coefficient of determination (R²).

Keywords: time series modelling, stochastic processes, ARIMA model, Karkheh river

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Authors: Aboubakr Gambo, Adama Diaw, Tobias Wunscher

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This study attempts to identify factors affecting rural households’ resilience to food insecurity in Niger. For this, we first create a resilience index by using Principal Component Analysis on the following five variables at the household level: income, food expenditure, duration of grain held in stock, livestock in Tropical Livestock Units and number of farms exploited and second apply Structural Equation Modelling to identify the determinants. Data from the 2010 National Survey on Households’ Vulnerability to Food Insecurity done by the National Institute of Statistics is used. The study shows that asset and social safety nets indicators are significant and have a positive impact on households’ resilience. Climate change approximated by long-term mean rainfall has a negative and significant effect on households’ resilience to food insecurity. The results indicate that to strengthen households’ resilience to food insecurity, there is a need to increase assistance to households through social safety nets and to help them gather more resources in order to acquire more assets. Furthermore, early warning of climatic events could alert households especially farmers to be prepared and avoid important losses that they experience anytime an uneven climatic event occur.

Keywords: food insecurity, principal component analysis, structural equation modelling, resilience

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Authors: Ernesto A. Lagarda-Leyva, Manuel A. Valenzuela L., José G. Oshima C., Arnulfo A. Naranjo-Flores

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From August to December of 2016, a diagnostic and strategic planning study was carried out on the supply chain of the company Agropecuaria GABO S.A. de C.V. The final product of the study was the development of the strategic plan and a project portfolio to meet the demands of the three links in the supply chain of the Roma tomato exported annually to the United States of America. In this project, the strategic objective of ensuring the proper handling of the product was selected and one of the goals associated with this was the employment of quantitative methods to support decision making. Considering the antecedents, the objective of this case study was to develop a model to analyze the behavioral dynamics in the distribution chain, from the logistics of storage and shipment of Roma tomato in 81-case pallets (11.5 kg per case), to the two pre-cooling rooms and eventual loading onto transports, seeking to reduce the bottleneck and the associated costs by means of a dynamic interface. The methodology used was that of system dynamics, considering four phases that were adapted to the purpose of the study: 1) the conceptualization phase; 2) the formulation phase; 3) the evaluation phase; and 4) the communication phase. The main practical conclusions lead to the possibility of reducing both the bottlenecks in the cooling rooms and the costs by simulating scenarios and modifying certain policies. Furthermore, the creation of the dynamic interface between the model and the stakeholders was achieved by generating interaction with buttons and simple instructions that allow making modifications and observing diverse behaviors.

Keywords: agrilogistics, distribution, scenarios, system dynamics

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Authors: Zuhaina Zakaria, Noraliza Hamzah, Siti Halijjah Shariff, Noor Aizah Abdul Karim

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The residential sector in Malaysia has become the single largest energy sector accounting for 21% of the entire energy usage of the country. In the past 10 years, a number of energy efficiency initiatives in the residential sector had been undertaken by the government including. However, there is no clear evidence that the total residential energy consumption has been reduced substantially via these strategies. Household electrical appliances such as air conditioners, refrigerators, lighting and televisions are used depending on the consumers’ activities. The behavior of household occupants played an important role in energy consumption and influenced the operation of the physical devices. Therefore, in order to ensure success in energy efficiency program, it requires not only the technological aspect but also the consumers’ behaviors component. This paper focuses on the challenges and opportunities in modelling residential consumer behavior in Malaysia. A field survey to residential consumers was carried out and responses from the survey were analyzed to determine the consumers’ level of knowledge and awareness on energy efficiency. The analyses will be used in determining a right framework to explain household energy use intentions and behavior. These findings will be beneficial to power utility company and energy regulator in addressing energy efficiency related issues.

Keywords: consumer behavior theories, energy efficiency, household occupants, residential consumer

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Authors: Aakash Chhunchha, Assma Begum

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The qualitative aspects of hypersonic flow over a range of blunt bodies have been extensively analyzed in the past. It is well known that the curvature of a body’s geometry in the sonic region predominantly dictates the bow shock shape and its standoff distance from the body, while the surface pressure distribution depends on both the sonic region and on the local body shape. The present study is an extension to analyze the hypersonic flow characteristics over several blunt-nosed bodies using modern Computational Fluid Dynamics (CFD) tools to determine the shock shape and its effect on the heat flux around the body. 4 blunt-nosed models with cylindrical afterbodies were analyzed for a flow at a Mach number of 10 corresponding to the standard atmospheric conditions at an altitude of 50 km. The nose radii of curvature of the models range from a hemispherical nose to a flat nose. Appropriate numerical models and the supplementary convergence techniques that were implemented for the CFD analysis are thoroughly described. The flow contours are presented highlighting the key characteristics of shock wave shape, shock standoff distance and the sonic point shift on the shock. The variation of heat flux, due to different shock detachments for various models is comprehensively discussed. It is observed that the more the bluntness of the nose radii, the farther the shock stands from the body; and consequently, the less the surface heating at the nose. The results obtained from the CFD analyses are compared with approximated theoretical engineering correlations. Overall, a satisfactory agreement is observed between the two.

Keywords: aero-thermodynamics, blunt-nosed bodies, computational fluid dynamics (CFD), hypersonic flow

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Authors: Minh Quang Le, Dane Taylor

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Convection is a well-studied topic in fluid dynamics, yet it is less understood in the context of networks flows. Here, we incorporate techniques from topological data analysis (namely, persistent homology) to automate the detection and characterization of convective/cyclic/chiral flows over networks, particularly those that arise for irreversible Markov chains (MCs). As two applications, we study convection cycles arising under the PageRank algorithm, and we investigate chiral edges flows for a stochastic model of a bi-monomer's configuration dynamics. Our experiments highlight how system parameters---e.g., the teleportation rate for PageRank and the transition rates of external and internal state changes for a monomer---can act as homology regularizers of convection, which we summarize with persistence barcodes and homological bifurcation diagrams. Our approach establishes a new connection between the study of convection cycles and homology, the branch of mathematics that formally studies cycles, which has diverse potential applications throughout the sciences and engineering.

Keywords: homology, persistent homolgy, markov chains, convection cycles, filtration

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Authors: Alix Limoges, William Bruch, Christophe Yohia, Jacques Piazzola

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A number of questions arise concerning the long-term impact of the contribution of marine aerosol fluxes generated at the air-sea interface on the occurrence of intense events (storms, floods, etc.) in the coastal environment. To this end, knowledge is needed on sea-spray emission rates and the atmospheric dynamics of the corresponding particles. Our aim is to implement the mesoscale model MESO-NH on the study area using an accurate sea-spray source function to estimate heat fluxes and impact on the precipitations. Based on an original and complete sea-spray source function, which covers a large size spectrum since taking into consideration the sea-spray produced by both bubble bursting and surface tearing process, we propose a comparison between model simulations and experimental data obtained during an oceanic scientific cruise on board the navy ship Atalante. The results show the relevance of the sea-spray flux calculations as well as their impact on the heat fluxes and AOD.

Keywords: atmospheric models, sea-spray source, sea-spray dynamics, aerosols

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Authors: Maria Teresa Signes Pont, Jose Juan Cortes Plana

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Our proposal provides suitable modelling to the spread of plant pest and particularly to the propagation of Xylella fastidiosa in the almond trees. We compared the impact of temperature and humidity on the propagation of Xylella fastidiosa in various subspecies. Comparison between Balearic Islands and Alicante (Spain). Most sharpshooter and spittlebug species showed peaks in population density during the month of higher mean temperature and relative humidity (April-October), except for the splittlebug Clastoptera sp.1, whose adult population peaked from September-October (late summer and early autumn). The critical season is from when they hatch from the eggs until they are in the pre-reproductive season (January -April) to expand. We focused on winters in the egg state, which normally hatches in early March. The nymphs secrete a foam (mucilage) in which they live and that protects them from natural enemies of temperature changes and prevents dry as long as the humidity is above 75%. The interaction between the life cycles of vectors and vegetation influences the food preferences of vectors and is responsible for the general seasonal shift of the population from vegetation to trees and vice versa, In addition to the temperature maps, we have observed humidity as it affects the spread of the pest Xylella fastidiosa (Xf).

Keywords: xylella fastidiosa, almod tree, temperature, humidity, environmental model

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Authors: Shank Kulkarni, Alireza Tabarraei

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The fantastic properties of polyurea such as flexibility, durability, and chemical resistance have brought it a wide range of application in various industries. Effective prediction of the response of polyurea under different loading and environmental conditions necessitates the development of an accurate constitutive model. Similar to most polymers, the behavior of polyurea depends on both strain and strain rate. Therefore, the constitutive model should be able to capture both these effects on the response of polyurea. To achieve this objective, in this paper, a nonlinear hyper-viscoelastic constitutive model is developed by the superposition of a hyperelastic and a viscoelastic model. The proposed constitutive model can capture the behavior of polyurea under compressive loading conditions at various strain rates. Four parameter Ogden model and Mooney Rivlin model are used to modeling the hyperelastic behavior of polyurea. The viscoelastic behavior is modeled using both a three-parameter standard linear solid (SLS) model and a K-BKZ model. Comparison of the modeling results with experiments shows that Odgen and SLS model can more accurately predict the behavior of polyurea. The material parameters of the model are found by curve fitting of the proposed model to the uniaxial compression test data. The proposed model can closely reproduce the stress-strain behavior of polyurea for strain rates up to 6500 /s.

Keywords: constitutive modelling, ogden model, polyurea, SLS model, uniaxial compression test

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Authors: Sea Hoon Lim

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A superfluid is a fluid of bosons that flows without resistance. In order to be a superfluid, a substance’s particles must behave like bosons, yet remain mobile enough to be considered a superfluid. Bosons are low-temperature particles that can be in all energy states at the same time. If bosons were to be cooled down, then the particles will all try to be on the lowest energy state, which is called the Bose Einstein condensation. The temperature when bosons start to matter is when the temperature has reached its critical temperature. For example, when Helium reaches its critical temperature of 2.17K, the liquid density drops and becomes a superfluid with zero viscosity. However, most materials will solidify -and thus not remain fluids- at temperatures well above the temperature at which they would otherwise become a superfluid. Only a few substances currently known to man are capable of at once remaining a fluid and manifesting boson statistics. The most well-known of these is helium and its isotopes. Because hydrogen is lighter than helium, and thus expected to manifest Bose statistics at higher temperatures than helium, one might expect hydrogen to also be a superfluid. As of today, however, no one has yet been able to produce a bulk, hydrogen superfluid. The reason why hydrogen did not form a superfluid in the past is its intermolecular interactions. As a result, hydrogen molecules are much more likely to crystallize than their helium counterparts. The key to creating a hydrogen superfluid is therefore finding a way to reduce the effect of the interactions among hydrogen molecules, postponing the solidification to lower temperature. In this work, we attempt via computer simulation to produce bulk superfluid hydrogen through binary mixing. Binary mixture is a technique of mixing two pure substances in order to avoid crystallization and enhance super fluidity. Our mixture here is KALJ H2. We then sample the partition function using this Path Integral Monte Carlo (PIMC), which is well-suited for the equilibrium properties of low-temperature bosons and captures not only the statistics but also the dynamics of Hydrogen. Via this sampling, we will then produce a time evolution of the substance and see if it exhibits superfluid properties.

Keywords: superfluidity, hydrogen, binary mixture, physics

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Authors: Karlijn Van Den Broek, Ian Walker, Christian Klöckner

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Campaigns aiming to induce energy-saving behaviour among householders use a wide range of approaches that address many different drivers thought to underpin this behaviour. However, little research has compared the relative importance of the different factors that influence energy behaviour, meaning campaigns are not informed about where best to focus resources. Therefore, this study applies the Comprehensive Action Determination Model (CADM) to compare the role of normative, intentional, habitual, and situational processes on energy-saving behaviour. An online survey on a sample of households (N = 247) measured the CADM variables and the data was analysed using structural equation modelling. Results showed that situational and habitual processes were best able to account for energy saving behaviour while normative and intentional processes had little predictive power. These findings suggest that policymakers should move away from motivating householders to save energy and should instead focus their efforts on changing energy habits and creating environments that facilitate energy saving behaviour. These findings add to the wider development in social and environmental psychology that emphasizes the importance of extra-personal variables such as the physical environment in shaping behaviour.

Keywords: energy consumption, behavioural modelling, environmental psychology theory, habits, values

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Authors: N. G. Thangan, A. B. Deoghare, P. M. Padole

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Computational Fluid Dynamics (CFD) aids in modeling the prototype of a real world processes. CFD approach is useful in predicting the fluid flow, heat transfer mass transfer and other flow related phenomenon. In present study, hydrodynamic characteristics of gas-solid cylindrical fluidized bed is compared with conical fluidized beds. A 2D fluidized bed consists of different configurations of particle size of iron oxide, bed height and superficial velocities of nitrogen. Simulations are performed to capture the complex physics associated with it. The Eulerian multiphase model is prepared in ANSYS FLUENT v.14 which is used to simulate fluidization process. It is analyzed with nitrogen as primary phase and iron oxide as secondary phase. The bed hydrodynamics is assessed prominently to examine effect on fluidization time, pressure drop, minimum fluidization velocity, and gas holdup in the system.

Keywords: fluidized bed, bed hydrodynamics, Eulerian multiphase approach, computational fluid dynamics

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Authors: Nigar Kantarci Carsibasi

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Coarse-grained elastic network models, namely Gaussian network model (GNM) and Anisotropic network model (ANM), are utilized in order to investigate the fluctuation dynamics of Murine Double Minute 2 (MDM2), which is the native inhibitor of p53. Conformational dynamics of MDM2 are elucidated in unbound, p53 bound, and non-peptide small molecule inhibitor bound forms. With this, it is aimed to gain insights about the alterations brought to global dynamics of MDM2 by native peptide inhibitor p53, and two small molecule inhibitors (HDM201 and NVP-CGM097) that are undergoing clinical stages in cancer studies. MDM2 undergoes significant conformational changes upon inhibitor binding, carrying pieces of evidence of induced-fit mechanism. Small molecule inhibitors examined in this work exhibit similar fluctuation dynamics and characteristic mode shapes with p53 when complexed with MDM2, which would shed light on the design of novel small molecule inhibitors for cancer therapy. The results showed that residues Phe 19, Trp 23, Leu 26 reside in the minima of slowest modes of p53, pointing to the accepted three-finger binding model. Pro 27 displays the most significant hinge present in p53 and comes out to be another functionally important residue. Three distinct regions are identified in MDM2, for which significant conformational changes are observed upon binding. Regions I (residues 50-77) and III (residues 90-105) correspond to the binding interface of MDM2, including (α2, L2, and α4), which are stabilized during complex formation. Region II (residues 77-90) exhibits a large amplitude motion, being highly flexible, both in the absence and presence of p53 or other inhibitors. MDM2 exhibits a scattered profile in the fastest modes of motion, while binding of p53 and inhibitors puts restraints on MDM2 domains, clearly distinguishing the kinetically hot regions. Mode shape analysis revealed that the α4 domain controls the size of the cleft by keeping the cleft narrow in unbound MDM2; and open in the bound states for proper penetration and binding of p53 and inhibitors, which points to the induced-fit mechanism of p53 binding. P53 interacts with α2 and α4 in a synchronized manner. Collective modes are shifted upon inhibitor binding, i.e., second mode characteristic motion in MDM2-p53 complex is observed in the first mode of apo MDM2; however, apo and bound MDM2 exhibits similar features in the softest modes pointing to pre-existing modes facilitating the ligand binding. Although much higher amplitude motions are attained in the presence of non-peptide small molecule inhibitor molecules as compared to p53, they demonstrate close similarity. Hence, NVP-CGM097 and HDM201 succeed in mimicking the p53 behavior well. Elucidating how drug candidates alter the MDM2 global and conformational dynamics would shed light on the rational design of novel anticancer drugs.

Keywords: cancer, drug design, elastic network model, MDM2

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Authors: Evren Isen

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In grid-connected renewable energy systems, input power is controlled by AC/DC converter or/and DC/DC converter depending on output voltage of input source. The power is injected to DC-link, and DC-link voltage is regulated by inverter controlling the grid current. Inverter performance is considerable in grid-connected renewable energy systems to meet the utility standards. In this paper, modelling and simulation of hysteresis current controlled single-phase grid-connected inverter that is utilized in renewable energy systems, such as wind and solar systems, are presented. 2 kW single-phase grid-connected inverter is simulated in Simulink and modeled in Matlab-m-file. The grid current synchronization is obtained by phase locked loop (PLL) technique in dq synchronous rotating frame. Although dq-PLL can be easily implemented in three-phase systems, there is difficulty to generate β component of grid voltage in single-phase system because single-phase grid voltage exists. Inverse-Park PLL with low-pass filter is used to generate β component for grid angle determination. As grid current is controlled by constant bandwidth hysteresis current control (HCC) technique, average switching frequency and variation of switching frequency in a fundamental period are considered. 3.56% total harmonic distortion value of grid current is achieved with 0.5 A bandwidth. Average value of switching frequency and total harmonic distortion curves for different hysteresis bandwidth are obtained from model in m-file. Average switching frequency is 25.6 kHz while switching frequency varies between 14 kHz-38 kHz in a fundamental period. The average and maximum frequency difference should be considered for selection of solid state switching device, and designing driver circuit. Steady-state and dynamic response performances of the inverter depending on the input power are presented with waveforms. The control algorithm regulates the DC-link voltage by adjusting the output power.

Keywords: grid-connected inverter, hysteresis current control, inverter modelling, single-phase inverter

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Authors: Virendra Nath, Vipin Kumar

Abstract:

Background: TypeII Diabetes mellitus is a foremost health problem worldwide, predisposing to increased mortality and morbidity. Undesirable effects of the current medications have prompted the researcher to develop more potential drug(s) against the disease. The peroxisome proliferator-activated receptors (PPARs) are members of the nuclear receptors family and take part in a vital role in the regulation of metabolic equilibrium. They can induce or repress genes associated with adipogenesis, lipid, and glucose metabolism. Aims: Investigation of PPARα/γ agonistic hits were screened by hierarchical virtual screening followed by molecular dynamics simulation and knowledge-based structure-activity relation (SAR) analysis using approved PPAR α/γ dual agonist. Methods: The PPARα/γ agonistic activity of compounds was searched by using Maestro through structure-based virtual screening and molecular dynamics (MD) simulation application. Virtual screening of nuclear-receptor ligands was done, and the binding modes with protein-ligand interactions of newer entity(s) were investigated. Further, binding energy prediction, Stability studies using molecular dynamics (MD) simulation of PPARα and γ complex was performed with the most promising hit along with the structural comparative analysis of approved PPARα/γ agonists with screened hit was done for knowledge-based SAR. Results and Discussion: The silicone chip-based approach recognized the most capable nine hits and had better predictive binding energy as compared to the reference drug compound (Tesaglitazar). In this study, the key amino acid residues of binding pockets of both targets PPARα/γ were acknowledged as essential and were found to be associated in the key interactions with the most potential dual hit (ChemDiv-3269-0443). Stability studies using molecular dynamics (MD) simulation of PPARα and γ complex was performed with the most promising hit and found root mean square deviation (RMSD) stabile around 2Å and 2.1Å, respectively. Frequency distribution data also revealed that the key residues of both proteins showed maximum contacts with a potent hit during the MD simulation of 20 nanoseconds (ns). The knowledge-based SAR studies of PPARα/γ agonists were studied using 2D structures of approved drugs like aleglitazar, tesaglitazar, etc. for successful designing and synthesis of compounds PPARγ agonistic candidates with anti-hyperlipidimic potential.

Keywords: computational, diabetes, PPAR, simulation

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Authors: Khushi, Simrat

Abstract:

The study aims to investigate the relationship between emotions and employee's social cognition and decision-making among employees. The sample of the study was the total number of participants, which included employees from various industries and job positions. Research papers in the same area were reviewed, providing a comprehensive review of existing literature and theoretical frameworks and shedding light on the interpersonal effects of emotions in the workplace. It emphasizes how one worker's emotions can significantly impact the overall work environment and productivity as well as the work of a common phenomenon known as Emotional contagion at the workplace, affecting social interactions and group dynamics. Therefore, this study concludes that Emotional contagion can lead to a ripple effect within the workplace, influencing the overall atmosphere and productivity. Emotions can shape how employees process information and make choices, ultimately impacting organizational outcomes.

Keywords: employee decision making, social cognition, emotions, industry, emotional contagion, workplace dynamics

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Authors: Tivani Phosa Mashamba-Thompson, Mahmoud E. S. Soliman

Abstract:

To date, the cause of neurodegeneration is not well understood and diseases that stem from neurodegeneration currently have no known cures. Cathepsin B (CB) enzyme is known to be involved in the production of peptide neurotransmitters and toxic peptides in neurodegenerative diseases (NDs). CA-074Me is a membrane-permeable irreversible selective cathepsin B (CB) inhibitor as confirmed by in vivo studies. Due to the lack of the crystal structure, the binding mode of CA-074Me with the human CB at molecular level has not been previously reported. The main aim of this study is to gain an insight into the binding mode of CB CA-074Me to human CB using various computational tools. Herein, molecular dynamics simulations, binding free energy calculations and per-residue energy decomposition analysis were employed to accomplish the aim of the study. Another objective was to identify novel CB inhibitors based on the structure of CA-074Me using fragment based drug design using scaffold hoping drug design approach. Results showed that two of the designed ligands (hit 1 and hit 2) were found to have better binding affinities than the prototype inhibitor, CA-074Me, by ~2-3 kcal/mol. Per-residue energy decomposition showed that amino acid residues Cys29, Gly196, His197 and Val174 contributed the most towards the binding. The Van der Waals binding forces were found to be the major component of the binding interactions. The findings of this study should assist medicinal chemist towards the design of potential irreversible CB inhibitors.

Keywords: cathepsin B, scaffold hopping, docking, molecular dynamics, binding-free energy, neurodegerative diseases

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Authors: Polona Dobnik Dubrovski, Abhijit Majumdar

Abstract:

The increasing awareness of negative effects of ultraviolet radiation and regular, effective protection are actual themes in many countries. Woven fabrics as clothing items can provide convenient personal protection however not all fabrics offer sufficient UV protection. Porous structure of the material has a great effect on UPF. The paper is focused on an overview of porosity in woven fabrics, including the determination of porosity parameters on the basis of an ideal geometrical model of porous structure. Our experiment was focused on 100% cotton woven fabrics in a grey state with the same yarn fineness (14 tex) and different thread densities (to achieve relative fabric density between 59 % and 87 %) and different type of weaves (plain, 4-end twill, 5-end satin). The results of the research dealing with the modelling of UPF and the influence of volume and open porosity of tested samples on UPF are exposed. The results show that open porosity should be lower than 12 % to achieve good UV protection according to AS/NZ standard of tested samples. The results also indicate that there is no direct correlation between volume porosity and UPF, moreover, volume porosity namely depends on the type of weave and affects UPF as well. Plain fabrics did not offer any UV protection, while twill and satin fabrics offered good UV protection when volume porosity was less than 64 % and 66 %, respectively.

Keywords: fabric engineering, UV radiation, porous materials, woven fabric construction, modelling

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Authors: El Miloudi Djelloul

Abstract:

The computer network play an important position for practical implementations of the differently system. To implement a system into network above all is needed to know all the configurations, which is responsible to be a part of the system, and to give adequate information and solution in realtime. So if want to implement this system for example in the school or relevant institutions, the first step is to analyze the types of model which is needed to be configured and another important step is to organize the works in the context of devices, as a part of the general system. Often before configuration, as important point is descriptions and documentations from all the works into the respective process, and then to organize in the aspect of problem-solving. The computer network as critic infrastructure is very specific so the paper present the effectiveness solutions in the structured aspect viewed from one side, and another side is, than the paper reflect the positive aspect in the context of modeling and block schema presentations as an better alternative to solve the specific problem because of continually distortions of the system from the line of devices, programs and signals or packed collisions, which are in movement from one computer node to another nodes.

Keywords: local area networks, LANs, block schema presentations, computer network system, computer node, critical infrastructure packed collisions, structural control system representations, computer network, implementations, modeling structural representations, companies, computers, context, control systems, internet, software

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Authors: Simon Ingelsten, Anton Lundberg, Vijay Shankar, Lars-Olof Landström, Örjan Johansson

Abstract:

The flow in a low consistency disc refiner is simulated with the aim of identifying flow structures possibly being of importance for a future study to optimise the energy efficiency in refining processes. A simplified flow geometry is used, where a single groove of a refiner disc is modelled. Two different fibre models are used to simulate turbulent fibre suspension flow in the groove. The first model is a Bingham viscoplastic fluid model where the fibre suspension is treated as a non-Newtonian fluid with a yield stress. The second model is a new model proposed in a recent study where the suspended fibres effect on flow is accounted for through a modelled orientation distribution function (ODF). Both models yielded similar results with small differences. Certain flow characteristics that were expected and that was found in the literature were identified. Some of these flow characteristics may be of importance in a future process to optimise the refiner geometry to increase the energy efficiency. Further study and a more detailed flow model is; however, needed in order for the simulations to yield results valid for quantitative use in such an optimisation study. An outline of the next steps in such a study is proposed.

Keywords: disc refiner, fibre flow, sustainability, turbulence modelling

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Authors: Shuenn-Yih Chang, Chiu-Li Huang

Abstract:

Three structure-dependent integration methods have been developed for solving equations of motion, which are second-order ordinary differential equations, for structural dynamics and earthquake engineering applications. Although they generally have the same numerical properties, such as explicit formulation, unconditional stability and second-order accuracy, a different performance is found in solving the free vibration response to either linear elastic or nonlinear systems with high frequency modes. The root cause of this different performance in the free vibration responses is analytically explored herein. As a result, it is verified that a weak instability is responsible for the different performance of the integration methods. In general, a weak instability will result in an inaccurate solution or even numerical instability in the free vibration responses of high frequency modes. As a result, a weak instability must be prohibited for time integration methods.

Keywords: dynamic analysis, high frequency, integration method, overshoot, weak instability

Procedia PDF Downloads 216