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ASSESSING PEROVSKITE COATINGS USING ARTIFICIAL INTELLIGENCE TO ENHANCE SOLAR CELL EFFICIENCY
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SIERRA VILLEGAS JUAN DIEGO 1, HERNÁNDEZ SALAZAR CRISTIAN ANDRÉS 2, GONZÁLEZ ESTRADA OCTAVIO ANDRÉS 3,
1 Universidad industrial de Santander, 2 Universidad Industrial de Santander, 3 Universidad industrial de Santander,
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Email: agonzale@uis.edu.co
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Abstract: Perovskite solar cells are of great interest due to their outstanding photoelectric properties. This study trained five machine learning models (LSTM, random forests, SVM, gradient boosting, and XGBoost) using Python with a dataset consisting of categorical inputs related to fabricating perovskite cells. These inputs included materials for hole and electron transport layers, the photovoltaic perovskite used and its deposition process, back contact material, anti-solvent, and precursor solution. The objective was to perform regression tasks with cell efficiency as the target variable. After evaluating the models, the random forest model was identified as the most suitable among those studied due to its ability to fit real data and processing time. Given their fabrication parameters, this model achieved satisfactory characterization of perovskite solar cells based on their energy conversion efficiency. However, the results could have been better in obtaining the best parameter combinations to maximize this efficiency. Further studies with different approaches are recommended to develop models capable of fulfilling this task effectively.
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Topic: CS - Computer Science
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CLUSTER BRAVO PRESENTATION - HIGH PERFORMANCE COMPUTING
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MOLINA MOSQUERA JAROL ESNEIDER 1, JIMÉNEZ LONDOÑO SANTIAGO 2,
1 Grupo de investigación e innovación en energía -GiiEN, Institución Universitaria Pascual Bravo , 2 IU Pascual Bravo,
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Email: santiago.jimenez@pascualbravo.edu.co
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Abstract: High-performance computing in higher education: academic and scientific transformation at Insituci?n Universitaria Pascual Bravo; high-performance computing redefines the academic and scientific landscape in higher education institutions by facilitating high-impact research in areas requiring advanced computational capabilities. At the Instituci?n Universitar?a Pascual Bravo, implementing a high-performance computing cluster has been fundamental in overcoming institutional challenges related to the growing demand for computing power; this infrastructure enables complex simulations and the processing of large volumes of data, optimizing the time and resources allocated to research. Notable projects include computational fluid dynamics modeling for hydroelectric turbines, molecular dynamics simulations of structural proteins of tropical diseases, and using Bayesian methodologies for statistical data analysis. The centralization of high-performance computing resources maximizes institutional investment and fosters a culture of innovation and collaboration, benefiting students and academics.
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Topic: CS - Computer Science
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STRUCTURAL DYNAMICS OF STEEL CABLES
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RUA PATIÑO ROBINSON FERNANDO 1, HOYOS MONTILLA ARY ALAIN 2, LARA VALENCIA LUIS AUGUSTO 3, OSPINA CORREA JUAN DAVID 4,
1 Universidad Nacional de Colombia, 2 Grupo de Investigación del Cemento y Materiales de Construcción -CEMATCO, Universidad Nacional de Colombia, 3 Universidad Nacional de Colombia, 4 Corporación Universitaria Remington,
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Email: jdavidospina@gmail.com
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Abstract: Modal changes in the wires arise from variations caused by stress-strain cycles; these cycles lead the cable to dissipate energy in the nonlinear elastic range through deformation and damage mechanisms. This phenomenon causes modifications in the micro-organic structure of the material during its useful life; this process of loss of integrity can affect the structural response, as permanent deformations can occur during service conditions, even if the stresses on the element are below the yield limit. Technological advances have allowed for the monitoring of structural cables, enabling data processing for modal analysis; however, these data do not accurately determine the actual level of damage, making it necessary to develop a model or methodology that correlates damage in the cables with their modal analysis. Therefore, it is crucial to develop a numerical model that identifies damage from the wire to the cable within the nonlinear elastic range of the material, considering stress-strain cycles and their correlation with microstructural changes. This work presents a model that relates the stress-strain curve to vibration modes, correlating these results with cable damage. In this way, it seeks to provide a deeper understanding of the stress and deformation fields in structural steel cables based on their modal properties and mechanical response in the nonlinear elastic range.
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Topic: DSM - Dynamic Systems Modeling
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GENDER STEREOTYPES IN AREAS OF SCIENCE, TECHNOLOGY, ENGINEERING, AND MATHEMATICS PERCEIVED BY ELEVENTH-GRADE ADOLESCENT WOMEN IN AN EDUCATIONAL INSTITUTION IN BELLO, COLOMBIA
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DUEÑAS RAMIREZ LEIDY MARCELA 1, GÓMEZ RODRÍGUEZ SARA LUCÍA 2, MUSLACO DÍAZ ERIKA 3, MAYORGA MARTÍNEZ GLORIA ANDREA 4,
1 Foundation of Researchers in Science and Technology of Materials, 2 Uniminuto, 3 Uniminuto, 4 UNIMINUTO,
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Email: gloria.mayorga-m@uniminuto.edu.co
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Abstract: This study addresses the underrepresentation of women in science, technology, engineering, and mathematics (STEM) and how gender stereotypes affect the perceptions and decisions of adolescent girls. The research focuses on ten adolescents from the Federico Sierra Arango educational institution in the municipality of Bello, Antioquia, Colombia, examining the gender stereotypes in their personal and family environments and the possible impact of choosing a higher education program in these areas. Using a phenomenological approach, qualitative techniques such as learning logs and workshops were used to collect information. The research highlights the importance of creating more inclusive environments and promoting gender equality in access to higher education.
In the personal environment, perceptions were built around the self-concept influenced by gender stereotypes expressed through criticism or comments received; the participants were able to understand that many of their ideas were unfounded by society or culture, which had been planted in their expectations about the characteristics of what a woman should be and what she should not be, as well as two perceptions were identified: 1. rejection and 2. acceptance, in that rejection represents denial or disapproval of themselves in certain aspects, such as their traits. Physical or personal preferences due to social pressure and the generation of emotional discomforts such as sadness or loneliness. Acceptance implies the ability to accept and value themselves as they are despite the strong external comments and expectations in their environment. Several participants recognized the challenges this generated for them amid the influence of the stereotypes.
In the family environment, gender stereotypes have a significant burden on the maternal figure, to whom the patriarchal system has historically placed responsibilities in the home and care, traditional roles assigned to women. The perceptions were related to the decisions or directions of their life projects that, without realizing it, played an important role in them. Some participants expressed desires to fulfill family ideals, such as having a big house and a family instead of following their aspirations; others expressed the desire to do what they like and not what others expect, such as studying and reading laws. Or be businesswomen. Thus, two types of gender roles were identified: related to domestic work and 2. associated with the parent-child bond.
Regarding domestic work, most adolescent girls perceive the presence of traditional gender expectations, where women are expected to get married, have children, and be housewives or "protectors of the home." Some participants mentioned that men are expected to be the providers and make the main decisions in their families. Likewise, the family often exerts pressure due to their physical appearance and how they perceive themselves. Regarding the parent-child bond, women have a significant role in the mother-daughter or grandmother-granddaughter relationship by having greater closeness to the men in their families.
It is concluded that the persistence of traditional gender stereotypes in the family environment also affects the personal environment; some participants expressed expectations about gender roles and limitations perceived by women. However, in cases of family support towards the free choice of career and the presence of female references who challenge these stereotypes, it could favor and strengthen the interest of adolescent participants in STEM areas. Grandmothers and mothers appear to have a significant influence in transmitting these gender expectations to participants.
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Topic: ESET - Education on Science, Engineering, and Technology
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GENDER STEREOTYPES WERE PERCEIVED IN SCIENCE, TECHNOLOGY, ENGINEERING, AND MATHEMATICS BY ELEVENTH-GRADE ADOLESCENT WOMEN AND PROFESSIONALS IN THEIR EDUCATIONAL AND WORK FIELDS IN BELLO, COLOMBIA
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DUEÑAS RAMIREZ LEIDY MARCELA 1, GÓMEZ RODRÍGUEZ SARA LUCÍA 2, MUSLACO DÍAZ ERIKA 3, MAYORGA MARTÍNEZ GLORIA ANDREA 4,
1 Foundation of Researchers in Science and Technology of Materials, 2 Uniminuto, 3 Uniminuto, 4 UNIMINUTO,
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Email: gloria.mayorga-m@uniminuto.edu.co
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Abstract: The persistence of the gender gap within Science, Technology, Engineering, and Mathematics (STEM) disciplines poses a significant challenge to societal advancement. Despite concerted efforts towards inclusivity, women continue to be underrepresented in these domains, a phenomenon attributed mainly to entrenched gender stereotypes and societal constructs. This study employs a mixed-method, statistical approach to explore the influence of gender stereotypes on women employed in STEM professions and high school adolescents navigating educational and vocational pathways.
Our findings illuminate pervasive gender biases within educational settings, wherein female students exhibit heightened comfort and engagement under the tutelage of female instructors. Conversely, male-dominated environments engender feelings of insecurity and objectification among female participants. Additionally, the research further unveils the influential role of male educators in perpetuating gender norms and shaping the academic experiences and career aspirations of female students. This can ultimately hinder their self-perception of competence and discourage them from pursuing STEM fields despite proven abilities in these subjects.
To mitigate gender disparities in STEM, the study advocates cultivating diverse role models and fostering inclusive learning environments. This will empower girls to pursue their academic and professional aspirations in these domains, ultimately contributing to a more equitable and prosperous society.
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Topic: ESET - Education on Science, Engineering, and Technology
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APPLICATION OF THE RANS K-ω SST MODEL IN SOLVING 3D TURBULENT FLOW PROBLEMS
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FUENTES DÍAZ DAVID ALFREDO 1, JARAMILLO IBARRA JULIAN ERNESTO 2, MARTINEZ MANUEL DEL JESUS 3, BARRERA DÍAZ CARLOS DANIEL 4,
1 Universidad Industrial de Santander, 2 Universidad Industrial de Santander, 3 Universidad Industrial de Santander, 4 Universidad Industrial de Santander,
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Email: cbarrera1096@hotmail.com
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Abstract: This study's purpose is to validate proper algorithms for solving 3D turbulent flow problems in naturally ventilated buildings, considering air as an incompressible fluid without thermal effects. The k-ω SST model was used, which combines the Rans equations with the transport equations of k and ω and solves the terms of the Reynolds stresses and the production of turbulent kinetic energy using the Boussinesq approximation. Three common flow problems in buildings were simulated, and the numerical results obtained were compared with the data described in the literature of 1:1:2 and 1:4:4 Shape building model, which describes the flow in a building with width, length, and depth proportions and Simple building block model which represents a set of 9 equidistant buildings. For the development of the algorithm, the C++ programming language was used, along with the implementation of the finite volume method for the discretization of the equations and the Simple algorithm for coupling between velocity and pressure.
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Topic: MSD - Modeling, Simulation, and Diagnostics
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ASSESSMENT OF THE DISTRIBUTION AND CONCENTRATION OF EARLY DEFORESTATION ALERTS IN COLOMBIA THROUGH SPATIAL ANALYSIS
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GONZÁLEZ BALAGUERA JONATAN ESTEBAN 1,
1 Universidad Nacional de Colombia,
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Email: Jegonzalezba@unal.edu.co
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Abstract: This study presents an integrated approach for analyzing early deforestation alerts in Colombia generated by the Institute of Hydrology, Meteorology, and Environmental Studies (IDEAM). Deforestation is a global environmental concern, affecting biodiversity, contributing to climate change, and negatively impacting local communities. Therefore, identifying and analyzing early deforestation alerts is essential for the timely implementation of mitigation and conservation measures.
We used the silhouette method to determine the optimal number of clusters in the early alert data to address this issue. This method is a statistical approach that evaluates the coherence of the formed clusters and helps identify the number of groupings that best represent the underlying structure of the data. Once the optimal number of clusters was determined, we calculated the centroids for each cluster. The centroids represent the geometric center of each cluster and provide a key spatial reference for subsequent analysis.
The spatial distribution of deforestation alerts was visualized through histograms, both longitudinally and angularly. Longitudinal histograms allow us to observe how alerts are distributed across different geographic longitudes, which can reveal large-scale deforestation patterns. On the other hand, angular histograms offer a perspective on the spatial orientation of the alerts, which helps understand the predominant directions of deforestation processes. These visualizations are fundamental for identifying critical areas and potential deforestation corridors.
Additionally, a statistical mechanics-based index was proposed to correlate alert density with potential deforestation in the studied region. This index was derived from the canonical ensemble, which considered the alert's independent particles to quantify the relationship between alert concentration and the probability of significant deforestation. Statistical mechanics provides a robust theoretical framework for modeling the distribution of events and allows for deriving metrics that can be used for decision-making in environmental policies. The suggested index can be valuable for prioritizing intervention areas and allocating resources more effectively.
The integrated approach presented in this study combines cluster analysis techniques, spatial visualization, and statistical modeling, providing a comprehensive methodology for analyzing early deforestation alerts. The results of this approach can be used by environmental authorities, non-governmental organizations, and local communities to improve forest conservation and management strategies. Moreover, the proposed methodology can be adapted and applied to other regions affected by deforestation, contributing to global efforts to combat forest loss.
This study offers a novel and robust methodology for analyzing early deforestation alerts in Colombia. Combining the silhouette method for determining optimal clusters, detailed spatial visualization through histograms, and a statistical mechanics-based index provides a powerful tool to understand and address deforestation. This approach not only facilitates the identification of patterns and trends in alert data but also helps correlate these alerts with actual deforestation, enabling better decision-making and more effective actions for forest conservation in Colombia.
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Topic: MSD - Modeling, Simulation, and Diagnostics
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EVALUATION OF GEOMETRIES OF THERMAL ENERGY STORAGE BASE-CEMENT
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ENDRINO ARMENTEROS JOSÉ LUIS 1, MONTERO CHACON FRANCISCO DE PAULA 2, ROQUE RODRÍGUEZ EDUARDO 3, ORTIZ VASQUEZ LUISA FERNANDA 4,
1 Universidad Loyola Andalucía, 2 Universidad Loyola Andalucía, 3 Universidad Loyola Andalucía, 4 Universidad Loyola Andalucía,
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Email: lfortiz@uloyola.es
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Abstract: The energy crisis has led to the search for alternative renewable energy sources that can satisfy current demand. On the other hand, energy storage systems are essential to harness energy from renewable sources during periods of availability and release it later. In this sense, thermal energy storage components are prone to durability problems due to the intermittency of renewable sources. For this reason, the need arises to perform a computational analysis of thermal energy storage in cement through finite elements using the multiphysics Comsol software with the purpose of implementing it in an energy trigeneration system powered by solar energy. Therefore, in this research, we present the analysis of the thermo-mechanical behavior of four cement-based thermal energy storage systems. The charging time of thermal energy in the storage system is analyzed with Therminol XP and Duratherm S fluids circulating at a temperature of 300 ºC. The results obtained from the simulation show the relevance of thermo-mechanical analysis for the design of cement-based thermal storage systems.
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Topic: MSD - Modeling, Simulation, and Diagnostics
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HYSTERETIC, COMPENSATION AND DISCONTINUOUS BEHAVIORS IN A HIGH-SPIN FERRIMAGNET: S=3, Q=7/2
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HOYOS VILLALBA JORGE 1, DE LA ESPRIELLA NICOLÁS 2,
1 Universidad de Córdoba, 2 Universidad de Córdoba,
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Email: ndelaespriella@correo.unicordoba.edu.co
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Abstract: The research consists of describing qualitatively, through an interaction Hamiltonian and a Monte Carlo method, the phenomena of compensation, discontinuity and hysteresis in an Ising-type ferrimagnet of high spins (S=3 and Q=7/2), configured in a square lattice. The system undergoes this type of phenomena under the action of an external magnetic field and the magnetocrystalline anisotropies of the sublattices that compose it. The compensation temperatures increase with decreasing modulus of the anisotropies, as do the temperatures at which discontinuous transitions occur.
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Topic: MSD - Modeling, Simulation, and Diagnostics
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MODELING APPLIED TO EVALUATE ENVIRONMENTAL INDICATORS IN THE PRODUCTION OF FLANGED PARTS USING ADITIVE MANUFACTURING: ENERGY DEMAND, CARBON FOOTPRINT AND SOLID WASTE.
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LIRA MARGARETH 1, PAYÃO FILHO JOÃO 2, GUIMAR?ES CLAUDINEI 3,
1 Federal University of Rio de Janeiro, 2 Federal University of Rio de Janeiro, 3 Escola de Qu?mica Bloco E - Sala E-201 Federal University of Rio de Janeiro,
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Email: claudinei@eq.ufrj.br
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Abstract: Additive Manufacturing (AM) has proven suitable to support or even replace traditional manufacturing in several industries, offering many advantages such as delivery time and reduction in terms of solid waste generation, energy consumption and greenhouse gas emissions (GHG). This study aimed to model and calculate environmental indicators during the life cycle assessment (LCA) considering the limit gate-to-gate, in the production of a flanged part in API 6A BX169 low alloy carbon steel using AWS ER90S-B3 wire. The method used was Wire and Arc Additive Manufacturing (WAAM), and the calculated variables were energy demand, carbon footprint and solid waste. The total energy demand in WAAM was 11,496.8 MJ, the total carbon footprint in CO2 equivalent (CO2-eq) was 731.0 kgCO2-eq and the solid waste generated was 64.4 kg.
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Topic: MSD - Modeling, Simulation, and Diagnostics
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ROLE OF THE DEGENNES LENGTH ON THE MAGNETIC REACTION OF A SUPERCONDUCTING CHOCK
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AGUIRRE CRISTIAN 1, BARBA ORTEGA JOSÉ JOSÉ 2, RINCÓN JOYA MIRYAM 3,
1 Universidade Federal de Mato Groso, 2 Universidad Nacional de Colombia, 3 Universidad Nacional de Colombia Bogotá,
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Email: mrinconj@unal.edu.co
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Abstract: We analyzed the effect of the deGennes length on the magnetic response and on the super-electronic density in a superconducting mesoscopic chock in presence of an external magnetic field at low temperature . We solve numerically the time-dependent Ginzburg–Landau equations taking into account the demagnetization effects, that is, we study a three-dimensional case. We show that the slope of the chock can be used to control the vortex state and to control the region through which the magnetic flux enters the sample and the critical fields. Also, we found that the critical fields are slowly dependently on this slope.
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Topic: MSD - Modeling, Simulation, and Diagnostics
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THERMOMAGNETIC PHENOMENA IN AN FERRIMAGNET TYPE-ISING: MONTE CARLO ANALYSIS
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MADERA JULIO 1, DE LA ESPRIELLA NICOLÁS 2,
1 Universidad del Sinú, 2 Universidad de Córdoba,
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Email: ndelaespriella@correo.unicordoba.edu.co
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Abstract: The thermomagnetic behavior of a ferrimagnet configured in a bipartite square lattice, composed of Ising-type particles of spins-(2,3/2), and subjected to different anisotropies under the effect of an applied external field is investigated by means of Monte Carlo simulations. The model presents interesting thermomagnetic phenomena, such as compensation temperatures and discontinuous transitions in the finite temperature phase diagrams of the magnetization and magnetic susceptibility, when we vary the single ion anisotropies. The influence of the crystal fields is also reflected in the hysteretic behavior of the ferrimagnet, with phenomena of multiple loops and superparamagnetism.
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Topic: MSD - Modeling, Simulation, and Diagnostics
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TOPOLOGY OPTIMIZATION AND ADDITIVE MANUFACTURING OF A MCPHERSON SUSPENSION CONTROL ARM FOR A COMBUSTION VEHICLE MODIFIED TO WORK WITH AN ELECTRIC MOTOR
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GONZÁLEZ ESTRADA OCTAVIO ANDRÉS 1, BAYONA HECTOR 2, VIANCHA SEBASTIAN 3,
1 Universidad industrial de Santander, 2 Universidad Industrial de Santander, 3 Universidad Industrial de Santander,
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Email: sebastian_vianchab@hotmail.com
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Abstract: The vehicle suspension system aims to transmit road-induced loads to the vehicle body in a controlled manner. A critical component of this system is the control arm, which maintains alignment between the wheel and the body, preventing irregular wheel movements. This study focuses on the topology optimization and additive manufacturing of the front control arm for a sedan vehicle converted from a combustion engine to an electric motor, resulting in a changed weight distribution. A finite element model of the McPherson suspension system was developed to determine the loads transmitted to the control arm under two loading conditions. The control arm was then analyzed in isolation to assess the resulting stresses and deformations, which were 119 MPa and 19 MPa, respectively. An oversized control arm model was subsequently created for topology optimization using a nylon matrix with fiberglass reinforcement. The optimized model exhibited equivalent stresses of 38 MPa and 12 MPa under the same conditions. A demonstration prototype of the optimized control arm was fabricated using additive manufacturing, achieving a weight of 230 g, representing a 79% reduction compared to the original model.
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Topic: MSD - Modeling, Simulation, and Diagnostics
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CORRELATION BETWEEN KINETIC BEHAVIOR AND COMPRESSIVE STRENGTH OF THE ALKALINE ACTIVATION PROCESS
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ECHEVERRI AGUIRRE MAULED YESENIA 1, RUDAS FLÓREZ JUAN SEBASTIÁN 2, MOLINA MOSQUERA JAROL ESNEIDER 3, HOYOS MONTILLA ARY ALAIN 4, TOBÓN JORGE IVÁN 5, CRIADO SANZ MARÍA 6,
1 Universidad Nacional de Colombia, 2 Grupo de investigación e innovación en energía -GiiEN, Institución Universitaria Pascual Bravo , 3 Grupo de investigación e innovación en energía -GiiEN, Institución Universitaria Pascual Bravo , 4 Grupo de Investigación del Cemento y Materiales de Construcción -CEMATCO, Universidad Nacional de Colombia, 5 Grupo de Investigación del Cemento y Materiales de Construcción -CEMATCO, Universidad Nacional de Colombia, 6 Grupo de Investigación de Gestión de Riesgo y Seguridad, Instituto de Ciencias de la Construcción Eduardo Torroja-CSIC,
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Email: maria.criado@ietcc.csic.es
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Abstract: The production of ordinary Portland cement is energy-intensive and generates significant CO2 emissions; therefore, looking for alternatives to replace this material totally or partially is crucial. Alkali-activated cement is a viable alternative, showing equal or better manufacturing and application conditions than ordinary Portland cement. According to the literature, the heat flow released during the hydration processes of cement can provide insights into their kinetic behavior. In turn, this kinetics knowledge contributes to obtaining a cementitious material that meets the compressive strength required in the field. In this research, a model is developed to correlate the kinetic behavior of alkaline activation with the compressive strength of the fly ash activated with sodium hydroxide in the presence of portlandite. It is worth noting that models of a different nature have been developed (empirical, and artificial intelligence models, among others) to perform this correlation; still, they have been widely used in ordinary Portland cement and supplementary cementitious materials. There still needs to be a deeper gap in applying models for Alkali-activated cement. The proposed model is validated with compressive strength tests at 3, 7, and 28 days and microcalorimetric measurements at 25°C and 35°C. The model results indicate a strong incidence of kinetic behavior (represented through the heat flow) on the compressive strength under the conditions analyzed in Alkali-activated cement. This incidence is mainly due to products formed during activation, which depend on the chemical composition of the materials used as precursors, the type and concentration of the activator, and the curing temperature, among others. The proposed model is an efficient tool for correlating the kinetic behavior with the compressive strength of the alkaline activation of fly ash, achieving a high degree of adjustment.
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Topic: PCM - Physical-Chemistry Modeling
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MODELING CALCINED KAOLINITIC CLAYS IN CEMENT: A DISCRETE KINETIC APPROACH
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TOBÓN JORGE IVÁN 1, ROSERO CHICAIZA CAMILO 2,
1 Grupo de Investigación del Cemento y Materiales de Construcción -CEMATCO, Universidad Nacional de Colombia, 2 Universidad Nacional de Colombia,
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Email: dcroseroc@unal.edu.co
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Abstract: The modeling of cements supplemented with calcined kaolinitic clays, such as metakaolin, has become a topic of interest due to the need to predict the behavior of these mixtures. So far, most hydration kinetics models have simulated metakaolin as a single phase. However, due to the trend of using multicomponent or low-grade clays as supplementary cementitious materials, there is a need for a more general model, one whose parameters are applicable to any type of calcined clay. In this sense, modeling metakaolin not as a single phase but based on its reactive fractions can contribute to this generalization, as what fundamentally changes between clays is the proportion of these phases. Therefore, this work presents a theoretical study of a discrete kinetic model that takes into account the reactive silica and alumina fractions of metakaolin instead of just one for metakaolin. To emulate the kinetic parameters, it was assumed that the chemical kinetics of rice husk silica are not very different from their equivalent in metakaolin. Thus, a Predator-Prey algorithm was used to predict the kinetic parameters of alumina. In this way, the parameter set of both reactive phases of metakaolin was obtained, and their behavior was emulated under different conditions, obtaining trends very similar to those theoretically expected for these phases
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Topic: PCM - Physical-Chemistry Modeling
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NANOENVIRONMENTS IN BIOCHEMISTRY: CONTRIBUTIONS TO A DIFFUSIONAL MODEL
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MÉNDEZ MORALES EDUARDO DANIEL 1,
1 Universidad de la República,
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Email: emendez@fcien.edu.uy
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Abstract: Micro- and nanoconfined spaces are decisive when it comes to understanding certain physiological processes. The detection of various metabolites using biomimetic electrodes is a good approximation to the physiological situation, but for those processes in which diffusion plays a predominant role, reliable analytical systems have yet to be developed that allow biomimesis of such a situation. We will present various options for biomimesis of confined spaces under the action of an electric field and the characterization of the diffusion of small electroactive molecules in micro and submicron spaces.
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Topic: PCM - Physical-Chemistry Modeling
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OPTIMIZATION STRATEGIES OF THERMAL SPRAY PROCESSES
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CASTILLO FIGUEROA JUAN SEBASTIAN 1, BUENROSTRO HUERTA LUIS JAVIER 2, YOMAYUZA SIERRA NESTOR GIOVANNY 3, RODRÍGUEZ ARÉVALO SERGIO DANIEL 4, GUTIERREZ PEREZ AIXA IBETH 5, GANZÁLEZ HERNÁNDEZ JESUS 6, MUÑOZ SALDAÑA JUAN 7, SALDARRIAGA MONTOYA VICTOR DAHIAN 8,
1 Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, CINVESTAV, 2 Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, CINVESTAV, 3 Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, CINVESTAV, 4 Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, CINVESTAV, 5 Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, CINVESTAV, 6 Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, CINVESTAV, 7 Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, CINVESTAV, 8 Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, CINVESTAV,
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Email: victor.saldarriaga@cinvestav.mx
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Abstract: Thermal spray includes a family of technologies for depositing metals, ceramics, cermets, etc. In these processes, a spray plume is formed due to the combination of operation parameters where complex plume-particle interactions occur that define the physical, structural, functional, etc. properties of the deposits. The temperature, velocity, and size of the particles in flight significantly influence the microstructure of the coating. The plume-particle interactions can be optimized using process maps, which in turn allow defining process windows representing the specific temperature and velocities of the particles in flight. Process maps describe the individual effect of particle velocity and temperature on specific coating properties, e.g. different microstructural characteristics, deposition efficiency, adhesion, mechanical properties, etc. Control strategies require the use of suitable in-flight particle diagnostic instruments, which allow the determination of their thermophysical properties and, many of which are commercially available, such as Spraywatch, DPV Evolution, and Accuraspray. However, although the operating parameters of most thermal spray processes can be controlled, the state of the particles being deposited to the substrate can change significantly over time due to wear of nozzles, electrodes, gas quality, etc. Thermal spray optimization consists of recovering the original average temperature and velocity of the particles in flight and, thus, the microstructure of the coating. At Cinvestav, CENAPROT, different strategies are being used to map and control thermal spray technologies, guaranteeing predefined levels of the properties of different coatings. This includes using high-precision diagnostic instruments and the development of alternative methods of functional data acquisition that are flexible and at a low cost. The diagnostic results serve as physical models for mathematical modeling of thermal spray processes, using, for example, computational fluid dynamics, which is also performed at CENAPROT. Computational fluid dynamics provides valuable information on theoretical temperature and velocity characteristics associated with individual particles in flight. However, due to the complex and interconnected nature of the thermal spray, computational fluid dynamics does not allow a global view of the whole process and the dependencies between the different inputs and outputs. For this purpose, big data and artificial intelligence analysis tools are undoubtedly useful. Transforming spray plume features to massive data by monitoring their luminosity, which allows the detection of shock diamonds in high-speed burning thermal spray, is a strategy currently being pursued at CENAPROT. The more data extracted from spray plume diagnostics and the development of methods capable of interpreting them properly, the more we can aspire to optimize thermal spray processes. The complexity of thermal spray is a typical case for applying machine learning techniques whose algorithms contain models based on sample data, known as training data, to make predictions or decisions. Machine learning, considered part of artificial intelligence, implements artificial neural network analysis. The methods presented in this contribution are general and applicable to any thermal spray process.
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Topic: PCM - Physical-Chemistry Modeling
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STUDY OF THE DEGRADATION OF CERAMIC OXIDE COATING SYSTEMS EXPOSED TO HIGH TEMPERATURES
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ROMERO MIRIAM 1, LISCANO SUEGEHIS 2, BELISARIO KELIMAR 3, NARVAEZ ASHBY 4,
1 UNEXPO, 2 UNEXPO, 3 UNEXPO, 4 UNEXPO,
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Email: ashbynarvaez@gmail.com
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Abstract: This work aims to study the degradation of Ytria-stabilized Zirconia coating systems with a NiCoCrAlY anchor layer on an AISI 310 stainless steel substrate exposed to high temperatures. To achieve the objectives, a simultaneous thermal gravimetric-differential scanning calorimetry analysis was carried out on the coated specimens for a period of 144 hours, where the mass gain (thermal gravimetric analysis) and the possible thermal events that may occur as the time elapsed were studied. Permanence (differential scanning calorimetry analysis) and isothermal oxidation thermal treatments were carried out at 1050ºC for times of 72 and 144 hours, with cooling without thermal shocks. Subsequently, a microstructural characterization was carried out on the samples using optical microscopy and scanning electron microscopy to study the degradation of the coating and validate the failure mechanisms that can occur during the growth of the oxide layer formed thermally. Comparing the results obtained, there was a total mass gain of 1.76 mg, where some oxides were formed, and in residence times of 72 hours, the formation of the oxide layer formed thermally with partial delamination was observed, and at 144 hours, the catastrophic delamination of the coating was observed, being the oxide layer formed thermally a non-protective layer.
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Topic: PCM - Physical-Chemistry Modeling
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COMPARATIVE ANALYSIS OF COMPRESSION TESTS ON HONEYCOMB, BEETLE ELYTRA PLATE, AND BIOMIMETICALLY ENHANCED BEETLE ELYTRA PLATE USING ANSYS AND ABAQUS SIMULATIONS
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VILLEGAS BERMUDEZ DIEGO FERNANDO 1, ROMERO SUAREZ GERMAN ORLANDO 2,
1 Universidad Industrial de Santander, 2 Universidad Industrial de Santander,
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Email: german2218069@correo.uis.edu.co
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Abstract: This project aims to conduct a comprehensive comparative analysis of compression test results for honeycomb structures, beetle elytra plates, and biomimetically enhanced beetle elytra plates. The study uses advanced simulation tools Ansys and Abaqus, implementing periodic boundary conditions to accurately represent the mechanical behavior under compression loads. The primary goal is to validate the simulation results against experimental data and to identify the mechanical performance differences and potential benefits of biomimetic enhancements in beetle elytra plate structures. The study begins with creating detailed finite element models for honeycomb, beetle elytra plates, and biomimetically enhanced beetle elytra plate structures. These models are developed in Ansys and Abaqus, utilizing periodic boundary conditions to accurately replicate these materials' repeating unit cell behavior. The simulations are performed under identical compression loading conditions to ensure a fair comparison. The honeycomb model is designed with hexagonal cells known for their efficient load distribution properties. The material properties are assigned based on standard engineering materials used in honeycomb applications, such as aluminum or composite materials. The beetle elytra plates model is constructed based on detailed morphological studies of beetle elytra, capturing the unique layered structure and microstructural characteristics. The material properties are derived from biological studies that have quantified the mechanical behavior of beetle elytra. The enhanced beetle elytra plate model incorporates biomimetic design principles, such as hierarchical structuring and material grading, to mimic the natural optimization found in beetle elytra. These enhancements aim to improve the beetle elytra plates' overall strength and energy absorption capacity.
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Topic: PMM - Physics-Mathematical Modeling
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EXPLORING ELECTROSTATIC INTERACTIONS BETWEEN NON-SPHERICAL DIELECTRIC PARTICLES: IMPLICATIONS FOR MATERIAL DESIGN
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MOLINA MOSQUERA JAROL ESNEIDER 1, VASQUEZ ECHEVERRY ALEJANDRO 2, HERNANDEZ ORTIZ JUAN PABLO 3, OLVERA DE LA CRUZ MONICA 4, OLAYA MUÑOZ DANIEL ALEJANDRO 5,
1 Grupo de investigación e innovación en energía -GiiEN, Institución Universitaria Pascual Bravo , 2 Laboratorio Genomico One Health - Colombia. , 3 Facultad de Ciencias de la Vida, Universidad Nacional de Colombia - Sede Medellin, 4 Department of Materials Science and Engineering, Northwestern University, 5 Universidad Nacional de Colombia,
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Email: daaolayamu@unal.edu.co
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Abstract: Polarization effects, often neglected, play a significant role in determining electrostatic interactions between dielectric particles, especially when geometrical anisotropies lead to surface-induced charge segregation; this phenomenon has practical implications in various fields, including self-assembly of nanoparticles, colloidal stability, and the design of functional materials. We use a direct integral formulation for the electrostatic potential to explore geometrically driven particle aggregation, considering dielectric bodies with non-spherical symmetry; by measuring the electrostatic force and energy under vacuum conditions, we demonstrate that breaking the symmetry and altering the close-contact surface between equally charged non-spherical particles can result in attractive regimes at short and long distances. This finding suggests that manipulating particle shape and orientation can be used to control the assembly and stability of colloidal systems; our findings reveal that non-spherical dielectric particle aggregation can be controlled by adjusting their orientation and in-contact surface in dimer and trimer configurations, with potential applications in designing self-assembled systems with tailored properties and developing new strategies for particle sedimentation.
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Topic: PMM - Physics-Mathematical Modeling
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EXTENSION OF NEW SIMPLE MATERIAL MODEL TO ADDITIONAL SPACE GROUPS
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TIDROW STEVEN 1,
1 New York State College of Ceramics at Alfred University,
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Email: tidrow@alfred.edu
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Abstract: The new simple material model, as developed for perovskites, has been shown to provide a significant improvement over Goldschmidt's tolerance formalism for predicting whether or not a perovskite will form. Additionally, the new simple material model was shown to provide significant improvement in determining lattice parameters and volume as well as shown to provide temperature-dependent structural phase transitions, Mossotti - Lorenz - Lorentz - Clausius polarization, and structural constraint-induced. The new simple material model is extended to some other cubic crystal structure systems and is compared with experimental data.
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Topic: PMM - Physics-Mathematical Modeling
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INFLUENCE OF THE SIZE DISTRIBUTION AND SHAPE OF THE AGGREGATE ON THE RHEOLOGY OF CEMENT-BASED MIXTURES
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CORREA YEPES JAIME 1,
1 Universidad Nacional De Colombia,
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Email: jacorreay@unal.edu.co
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Abstract: Rheology, as a branch of physics that studies how fluids deform, has become a fundamental tool to monitor and evaluate the flow capacity of a cement-based mixture; through its shear stress and viscosity variables, it allows for determining how they influence the components of cement-based mixtures in their response in workability, of this, of the 14^9 m^3 of concrete that is produced per year on the planet between 80 and 90% of this is pumped (Miller, Sabbie A. 2016), which is why high amounts of energy are invested in carrying these materials to very complex areas without causing effects such as segregation or tingling, which generates great scientific and environmental interest. In this sense, throughout history, theories and mathematical models have been developed that try to predict the influence of the components of mixtures on their rheological response through the constitutive equations of rheology, such as the Bingham (1920) and Herschel models. -Bulkley (1980) or Modified Bingham (2011) and on the other hand, mathematical models for suspension analysis such as Krieger and Dougherty (1960) and Simha-Chidiac (2009), among others, have been derived from the Wu model ( 2014) that through an approximation of the physical phenomenon proposed by the Navier Stokes equations covered in the elastic limit threshold factor and the gradation factor through the packing factor, make up the Wu model (Modified from, Barnes, H.A, 1993 ) (Chidiac & Mahmoodzadeh, 2009) (Wu, Q., & An, X 2014); given that for mortars and concretes, the aggregates cover contents greater than 65% of the total volume of a specific mixture, the characterization of the influence of the aggregates is decisive in the rheological response. In this model, after the morphological characterization of the aggregates in particle size distribution, shape, and density and, on the other hand, measurements of viscosity and density in t, it proposes to predict the stress response of creep of a mortar or concrete. Given this, models that cover a physical component through the elastic limit threshold and the gradation factor through the packing factor to predict rheological variables are uncommon in concrete matters. However, when evaluating all the parameters that are developed in the Wu model to calculate the shear stress and comparing it with a rheological analysis using a rheometer, we found specific differences of up to 42%, which does not give very reliable evidence of the representativeness of the model to explain the shear stress response phenomenon derived from the characterizations already mentioned, in this sense, when deconstructing the model, in the elastic limit threshold we see that the model when making a theoretical abstraction to evaluate how the shape of the aggregate interacts with the paste that covers it is not sensitive to the three dimensions of the aggregate, which reduces the representativeness of the shape within the model, and as is known, the shape of the aggregate is a determining factor in the rheological response. Additionally, when reviewing the gradation factor of the model, we found that it is intended to describe the entire particle size distribution through a discrete relationship based on the average size of the distribution, the maximum diameter of the distribution, and the slope of the particle size distribution trend line, according to the theory of Krieger and Dougherty packing factor. In this sense, to reduce this range of uncertainty of the Wu model, it is proposed to initially modify the elastic limit threshold by redefining the assumption of the approach of the interaction between aggregate and cementitious paste, and on the gradation factor side, it was proposed to replace the existing packing factor with the Rosin-Rammler (1980) who proposes a continuous function to describe the particle size distribution and in general increases the representativeness of this distribution by 25% compared to the packing factor. By making these modifications to the general Wu model and evaluating the modified parameters and the new parameters, it was possible to reduce the range of uncertainty between the response of the shear stress model in the Wu model, which was initially at 42% to a difference of 9.3% compared to the rheological measurement by rheometer and in the same sense it was found that at the maximum shear rate of the experiment, the presence of the aggregates increases the shear stress response by 2.8 times, derived from the modification of the specific density of the paste vs. the density of the mixture including the aggregates, which shows that the aggregates are determinants within the rheological performance of a mixture.
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Topic: PMM - Physics-Mathematical Modeling
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SIMULATION OF PHASE CHANGE MATERIALS FOR A DUAL HEATING AND COOLING SYSTEM IN EXTREME CLIMATES OF CANADA
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LOMBANA MAURICIO 1, ROMERO SUAREZ GERMAN ORLANDO 2,
1 Universidad Nacional, 2 Universidad Industrial de Santander,
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Email: german2218069@correo.uis.edu.co
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Abstract: This research focuses on the simulation of phase change materials for a dual heating and cooling system designed to operate in the extreme climates of Canada, with temperature ranges from -40°C to 40°C. The selected phase change material is paraffin wax with a melting point of 25°C. The system utilizes concentric stainless steel tubes containing phase change materials and air for winter operations, as well as phase change materials and thermal oil for summer operations. In winter, the system preheats air using solar energy captured by a linear Fresnel lens. The preheated air then enters the conventional electric heating system of the house, reducing energy consumption and improving efficiency. The phase change materials absorb excess heat during sunny periods and release it when the solar input is insufficient, ensuring a stable preheated air supply. During summer, the system uses the thermal oil heated by solar energy to drive a lithium bromide absorption chiller, producing cold air for cooling. The phase change materials play a crucial role in storing thermal energy, allowing the system to maintain cooling even during periods of low solar insolation. The simulations were conducted using Ansys Fluent, focusing on the system's performance in both summer and winter. The study involved detailed modeling of heat transfer processes within the phase change materials, air, and thermal oil and the overall system efficiency. The simulations accounted for the transient behavior of the phase change materials as they undergo phase changes and the impact of varying environmental conditions.
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Topic: PMM - Physics-Mathematical Modeling
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CONSTRUCTION AND DEMOLITION WASTE AS A SOLUTION TO ENVIRONMENTAL AND AGRICULTURAL CHALLENGES
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MEJÍA RESTREPO ERICA 1,
1 I.U pascual bravo,
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Email: erica.mejia@pascualbravo.edu.co
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Abstract: Construction and demolition waste represents a significant environmental issue, generating three times more solid waste than urban areas. Improper disposal of construction and demolition waste leads to several environmental impacts, including: (i) inappropriate dumping of waste, (ii) contamination of water sources, (iii) loss of ecosystem services due to soil and vegetation degradation, and (iv) high waste volumes. One alternative is to utilize construction and demolition waste as recycled aggregates, thereby reducing the demand for virgin materials in the construction industry. However, particles smaller than 4 mm exhibit poor performance and must be discarded. Additionally, urban areas generate substantial volumes of organic waste, which is often improperly managed and ends up in landfills, thus wasting its potential use in composting. Soil acidity is a critical factor that diminishes the productivity of Colombian soils, reducing nutrient availability and causing aluminum ion toxicity. This issue has been exacerbated by agricultural practices, where human activity has accelerated soil acidification without regard for ecological impacts. Systemic pesticides, which are absorbed by plants and distributed throughout their tissues, are effective against pests but are toxic even in small doses and persist in soil and water, thereby contributing to soil acidification. Soil, particularly concrete, contains high levels of calcium and silicon in the form of carbonates and hydrated calcium silicates, which can serve as essential nutrients to regulate soil acidity and enhance plant resistance to pests. Recent studies have demonstrated the use of residual concrete particles smaller than 4 mm as a soil conditioner, combined with mineral-solubilizing microorganisms. This combination provides nutrients, controls soil acidity, avoids toxicity, and improves soil quality, facilitating its use in agriculture or landscaping. However, collaboration with experts in artificial intelligence (AI) and the Internet of Things (IoT) is required to simulate processes and predict conditions in various tropical soils. The integration of advanced technologies and sustainable practices can offer innovative solutions for waste management and enhance agricultural productivity, thereby contributing to sustainable development.
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Topic: SETISI - Science, Engineering, Technology, and Innovation for Social Inclusion
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EVALUATION OF COMPOUNDS OBTAINED FROM MANGANESE ORE RESIDUE AS REINFORCEMENT TO STARCH FILMS FOR IMPROVING MECHANICAL AND OPTICAL PROPERTIES
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PARIS ELAINE CRISTINA 1, MALAFATTI JOÃO OTÁVIO DONIZETTE 2, NASCIMENTO ANDRESSA CRISTINA DE ALMEIDA 3, DA SILVA GABRIELA LEITE 4, FIGUEIRA BRUNO APOLO MIRANDA 5, QUARANTA SIMONE 6,
1 Empresa Brasileira de Pesquisa Agropecuária, 2 Embrapa Instrumentação, 3 Federal University of São Carlos/Department of Chemistry, 4 Federal University of São Carlos/Department of Biology, , 5 Federal University of Pará, 6 Institute of Nanostructured Materials (ISMN)/Italian National Research Council (CNR),
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Email: simone.quaranta@cnr.it
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Abstract: Starch films are an alternative renewable source of biomaterials, making them an environmentally friendly option. Adding reinforcing materials to starch films allows control of the higher hydrophilicity, improves the mechanical and optical characteristics, and extends their applications from packaging, bags, and different functional coatings. Mining wastes are significant sources of precursors, such as metallic ions, promoting obtaining different compounds with active properties. Thus, the present work evaluated untreated manganese ore residue and its products as a reinforcing material for corn starch films. Manganese residue, BaMnO4, and MnO2 were added with concentrations of 0.25 to 1% (w w-1) to starch films. The composite films were obtained using the casting method. The results showed that adding particles allowed the water vapor permeability (WVP) to decrease in the presence of manganese ore residue and BaMnO4 from 1.8 ± 0.3 g mm h-1 m-2 Pa-1 to 0.9 ± 0.2 and 1.0 ± 0.2 g mm h-1 m-2 Pa-1, respectively. In the mechanical tests, the BaMnO4 films significantly increased tensile strength from 3.5 ±0.2 MPa to 20 ±4 MPa with similar homogeneity in all concentrations. The starch films reinforced with 1% (w w-1) MnO2 enabled a gain in the ultraviolet-visible (UV-vis) spectrum, absorbing in the 400 - 500 nm region. Furthermore, the manganese ore residue and BaMnO4 films showed an increase in UV-vis absorption of around 250 - 300 nm. Thus, the addition of low-concentration manganese materials from mining waste showed results indicating a promising gain in the properties of starch films that improve the packaging characteristics and added value of second-generation materials, favoring the circular economy.
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Topic: SETISI - Science, Engineering, Technology, and Innovation for Social Inclusion
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EVALUATION OF THE COMPRESSIVE STRENGTH OF BONE CEMENTS WITH ANTIBIOTICS
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GONZÁLEZ ESTRADA OCTAVIO ANDRÉS 1, SÁENZ SUAREZ ANDRES FERNANDO 2, SÁENZ SUAREZ MAYERLY IVONNE 3, CASTAÑEDA URIBE RODOLFO ELIECER 4, MOLINA MIRANDA NORLY EIDY 5, RINCÓN OVALLE DANIEL FELIPE 6, RAMÍREZ GÓMEZ LEONARDO ANDRÉS 7, GARZÓN DOMINGUEZ LUIS EDUARDO 8, MEDINA GARCIA IVAN SANTIAGO 9,
1 Universidad industrial de Santander, 2 IMAO Proyectos e Ingenieria SAS, 3 IMAO Proyectos e Ingenieria SAS, 4 Líneas Hospitalarias SAS, 5 Líneas Hospitalarias SAS, 6 Líneas Hospitalarias SAS, 7 Líneas Hopitalarias SAS, 8 Líneas Hospitalarias SAS, 9 Lineas Hospitalarias,
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Email: aux.proyectoscid@lineashospitalarias.com
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Abstract: This study investigated the compressive strength of different mixtures of low-viscosity G3 bone cement (Brand G21) with antibiotics, comparing a bone cement without antibiotics against mixtures containing vancomycin powder and liquid gentamicin. The compression tests were conducted using an MTS Bionix hydraulic press, and the results were analyzed using ANOVA to determine significant differences between the mixtures. The results showed that the bone cement mixtures without antibiotics exhibited the highest compressive strength, while those with liquid gentamicin showed the lowest resistance. Mixtures with vancomycin powder also showed significant differences but mostly met the minimum strength standard established by ASTM F451, except for the mixture with 4 grams of vancomycin. The discussion highlighted how these results align with previous research and analyzed the feasibility of using these mixtures in practical applications. Exceptions and unresolved issues requiring further research were identified. The conclusions emphasize the novel character of the study, confirming the achievement of the proposed objectives, and suggesting areas for future research. The mixtures with liquid gentamicin did not meet the minimum strength standard, which limits their current clinical application. This work provides an important basis for improving bone cements with antibiotics, proposing new directions to optimize their use in medical practices.
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Topic: SETISI - Science, Engineering, Technology, and Innovation for Social Inclusion
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EXPLORING THE IMPACT OF SYNTHESIS ON THE PROPERTIES OF SIMPLE OXIDES: A STUDY ON IRON, TITANIUM, CALCIUM, NIOBIUM, AND OTHER ELEMENTS
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PARIS ELAINE CRISTINA 1, BARBA ORTEGA JOSÉ JOSÉ 2, RINCÓN JOYA MIRYAM 3,
1 Empresa Brasileira de Pesquisa Agropecuária, 2 Universidad Nacional de Colombia, 3 Universidad Nacional de Colombia Bogotá,
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Email: mrinconj@unal.edu.co
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Abstract: This detailed study investigates how synthesis influences a broad range of properties of simple oxides, such as Iron, Titanium, Calcium, Niobium, among others. Changes in crystalline structure, surface morphology, and nanostructure formation are examined in detail, along with their influence on electrical conductivity, magnetic susceptibility, and optical properties, including UV-VIS and Raman analyses. This comprehensive analysis provides a deep understanding of the relationship between synthesis and the properties of simple oxides, highlighting their potential relevance in a wide variety of technological and scientific applicatio
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Topic: SETISI - Science, Engineering, Technology, and Innovation for Social Inclusion
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