745 research outputs found
Structural transformations in Cu, Ag, and Au metal nanoclusters
Finite-temperature structures of Cu, Ag, and Au metal nanoclusters are
calculated in the entire temperature range from 0 K to melting using a
computational methodology that we proposed recently [Settem \emph{et al.},
Nanoscale, 2022, 14, 939]. In this method, Harmonic Superposition Approximation
(HSA) and Parallel Tempering Molecular Dynamics (PTMD) are combined in a
complementary manner. HSA is accurate at low temperatures and fails at higher
temperatures. PTMD, on the other hand, effectively samples the high temperature
region and melting. This method is used to study the size- and system-dependent
competition between various structural motifs of Cu, Ag, and Au nanoclusters in
the size range 1 to 2 nm. Results show that there are mainly three types of
structural changes in metal nanoclusters depending on whether a solid-solid
transformation occurs. In the first type, global minimum is the dominant motif
in the entire temperature range. In contrast, when a solid-solid transformation
occurs, the global minimum transforms either completely to a different motif or
partially resulting in a co-existence of multiple motifs. Finally, nanocluster
structures are analyzed to highlight the system-specific differences across the
three metals.Comment: The following article has been accepted by Journal of Chemical
Physics. After it is published, it will be found at
https://doi.org/10.1063/5.0159257. Accepted version of the manuscript (along
with supplementary material) consists of 32 pages, 11 figure
Desarrollo de una metodología de optimización multiobjetivo considerando soluciones casi-óptimas. Aplicación a problemas en ingeniería de control
[ES] En un problema de optimización multiobjetivo, habitualmente se busca caracterizar el conjunto de soluciones óptimas de Pareto, ignorando las soluciones casi-óptimas. Sin embargo, estas soluciones pueden proporcionar al diseñador una mayor diversidad de soluciones potencialmente útiles, lo que permite tomar una decisión final más informada. Pese a ello, obtener todas las soluciones casi-óptimas puede aumentar en exceso el número de ellas y, en consecuencia, ralentizar en exceso el proceso de optimización y complicar la etapa de decisión. Por ello, se propone obtener las soluciones casi-óptimas que mayor información relevante aporten al diseñador, descartando el resto de ellas. En este trabajo se asume que las soluciones más relevantes son, además de las óptimas (en el espacio de objetivos), las alternativas casi-óptimas significativamente diferentes (no vecinas en el espacio de parámetros) a las soluciones que le dominan, es decir, las soluciones casi-óptimas no dominadas en su vecindad. Este conjunto de soluciones proporciona alternativas diferentes sin aumentar en exceso el número de ellas. Para caracterizar este conjunto, en esta tesis, se presenta y valida un nuevo algoritmo (nevMOGA). Gracias a este algoritmo y la metodología descrita para su aplicación, el diseñador puede obtener estas soluciones con el objetivo de realizar un análisis más profundo, tomando la decisión final con mayor información. Además, en la tesis, se aplica esta nueva metodología en problemas de identificación de modelos y diseño de controladores multivariables. En ellos, se pone de manifiesto la utilidad de obtener las alternativas casi-óptimas no dominadas en su vecindad, proporcionando nueva información relevante para el diseñador. De hecho, en algunos de estos problemas, las alternativas casi-óptimas son preferidas en lugar de las óptimas.[CA] En un problema d'optimització multiobjectiu, habitualment se busca caracteritzar el conjunt de solucions òptimes de Pareto, ignorant les solucions quasi-òptimes. Aquestes solucions poden proporcionar al dissenyador una major diversitat de solucions potencialment útils, la qual cosa permet prendre una decisió final més informada. No obstant això, obtenir totes les solucions quasi-òptimes pot augmentar en excés el número d'elles, alentint en excés el procés d'optimització i complicant l'etapa de decisió. Per això, es proposa obtenir les solucions quasi-òptimes que major informació rellevant aporten al dissenyador, descartant la resta d'elles. En aquest treball s'assumix que les solucions més rellevants són, a més de les òptimes (en l'espai d'objectius), les alternatives quasi-òptimes significativament diferents (no veïnes en l'espai de paràmetres) a les solucions que li dominen, és a dir, les solucions quasi-òptimes no dominades en el seu veïnatge. Aquest conjunt de solucions proporciona alternatives diferents sense augmentar en excés el número d'elles. Per a caracteritzar aquest conjunt, en aquesta tesi, es presenta i valida un nou algorisme (nevMOGA). Gràcies a aquest algorisme i la metodologia descrita per a la seua aplicació, el dissenyador pot obtenir aquestes solucions amb l'objectiu de realitzar una anàlisi més profunda, prenent la decisió final amb major informació. A més, en la tesi, s'aplica aquesta nova metodologia en problemes d'identificació de models i disseny de controladors multivariables. En ells, es posa de manifest la utilitat d'obtenir les alternatives quasi-òptimes no dominades en el seu veïnatge, proporcionant nova informació rellevant per al dissenyador. De fet, en diversos casos, les alternatives quasi-òptimes són preferides en lloc de les òptimes.[EN] In a multiobjective optimization problem, the aim is usually to characterize the set of optimal solutions (Pareto set) and the nearly optimal solutions are ignored. Proceeding in this way has a drawback, namely, some of these nearly optimal solutions are potentially useful for the designer and their consideration can lead him or her to make a better informed decision. However, finding all the nearly optimal solutions would excessively slow down the optimization process and would complicate the decision stage unnecessarily. In order to overcome this problem, we propose a new methodology to obtain only the nearly optimal solutions that really provide relevant information to the designer, discarding the rest of them. In this work, it is assumed that the most relevant solutions are, apart from the optimal ones, the nearly optimal solutions which are significantly different (not neighbors in the parameter space) from the solutions that dominate them, that is to say, the nearly optimal solutions non dominated in their neighborhood. In this way, a set of potentially useful alternatives is provided, without increasing their number unnecessarily. In order to characterize this new set of solutions, a novel algorithm (nevMOGA) is presented and validated. Thanks to this algorithm and to the methodology described for its application, a designer will be able to obtain these new solutions and, therefore, this will enable him or her to perform a deeper analysis of the problem, which eventually will result in a more knowledgeable decision. In addition, this new methodology is applied to several engineering problems in the areas of model tuning and multivariable control design. Through these application examples, the usefulness of obtaining and taking into account the nearly optimal solutions non dominated in their neighborhood is demonstrated. In effect, in some of these cases, a nearly optimal solution is preferred to any of the optimal ones.Este trabajo ha sido parcialmente subvencionado por el Ministerio de Economía
y Competitividad a través de la beca FPU15/01652, y los proyectos DPI2015-
71443-R y RTI2018-096904-B-I00, por la administración local Generalitat Valenciana a través de la beca ACIF/2015/079 y los proyectos GV/2017/029 y
AICO/2019/055, y por la Universitat Politècnica de València a través de la
beca FPI-2014/2429.Pajares Ferrando, A. (2019). Desarrollo de una metodología de optimización multiobjetivo considerando soluciones casi-óptimas. Aplicación a problemas en ingeniería de control [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/133974TESI
Diseño y evaluación de técnicas de optimización multiobjetivo para sistemas de gestión de referencias en lazo de control
[EN] The term Real-Time Optimization (RTO) has spread rapidly in the industry, and provides a higher level control system. In this project the design and evaluation of a RTO for different types of control where the optimizer will calculate the best references from a multi-objective approach[ES] El término Optimización en Tiempo Real (RTO) se ha extendido rápidamente en la industria, y constituye un nivel superior del sistema de control. En el presente proyecto se realizará el diseño y evaluación de un RTO para diferentes tipos de control donde el optimizador calculará las referecias óptimas desde un enfoque multiobjetivoPajares Ferrando, A. (2014). Diseño y evaluación de técnicas de optimización multiobjetivo para sistemas de gestión de referencias en lazo de control. http://hdl.handle.net/10251/54190Archivo delegad
Nivel de conocimientos en seguridad en laboratorios académicos de química y su relación con el nivel académico y carrera profesional en estudiantes de la facultad de industrias alimentarias de la Universidad Nacional de la Amazonía Peruana en el semestre II - 2020
Amazon requires measuring the level of knowledge in safety in academic chemistry laboratories, to determine if the percentage of students who have the qualification "Good" or "Excellent" exceeds 50%, if there is an association between the level of knowledge and the academic level, the vocational school and gender. A stratified random sample was selected, and a 120-question questionnaire was applied. The results are the percentage of students with grades "Good" or "Excellent" does not exceed 50%. In the faculty, there is an association between the level of knowledge and the academic level (? = 0.326). There is no association between the level of knowledge and the vocational school (p > 0.05). There is no association between the level of knowledge and gender (p > 0.05). In the engineering school in food industries, there is an association between the level of knowledge and the academic level (? = 0.611). There is no association between the level of knowledge and gender (p > 0.05). In the school of bromatology and human nutrition, there is no association between the level of knowledge and the academic level (? = 0.009). There is no association between the level of knowledge and gender (p > 0.05). It is concluded that the students of the faculty of food industries require that the teaching on safety be reinforced in academic chemistry laboratories.La Facultad de Industrias Alimentarias de la Universidad Nacional de la Amazonía Peruana, requiere medir el nivel de conocimientos en seguridad en laboratorios académicos de química, con el objeto de determinar si el porcentaje de estudiantes que tienen la calificación “Bueno” o “Excelente” supera el 50%, si existe asociación entre el nivel de conocimientos y el nivel académico, la escuela de formación profesional y el sexo. Se seleccionó una muestra aleatoria estratificada y se aplicó un cuestionario de 120 preguntas. Los resultados son: el porcentaje de estudiantes con calificaciones “Bueno” o “Excelente” no supera el 50%. En la facultad, existe asociación entre el nivel de conocimientos y el nivel académico (? = 0.326). No existe asociación entre el nivel de conocimientos y la escuela de formación profesional (p > 0.05). No se verifica asociación entre el nivel de conocimientos y el sexo (p > 0.05). En la escuela de ingeniería en industrias alimentaria, existe asociación el nivel de conocimientos y el nivel académico (? = 0.611). No existe asociación entre el nivel de conocimientos y el sexo (p > 0.05). En la escuela de bromatología y nutrición humana, no existe asociación entre el nivel de conocimientos y el nivel académico (? = 0.009). No existe asociación entre el nivel de conocimientos y el sexo (p > 0.05). Se concluye que los estudiantes de la facultad de industrias alimentarias requieren que se refuerce la enseñanza sobre seguridad en laboratorios académicos de química
Enseñanza sobre la higiene física en estudiantes universitarios, 2023
La higiene física es un elemento clave para la salud y el bienestar, especialmente
entre los jóvenes universitarios. El objetivo general de este estudio cualitativo fue
interpretar la enseñanza de la higiene física en estudiantes universitarios en el 2023.
Se realizaron entrevistas semiestructuradas a 5 expertos mediante la técnicade bola
de nieve. Los resultados indican que la educación en hábitos de higiene física busca
generar conciencia y cambios de comportamiento, promoviendo una cultura de
higiene adecuada. La transmisión de conocimientos y estrategias por parte de los
educadores es crucial. Se recomienda incorporar contenidos prácticossobre higiene
física en todas las carreras, desarrollar campañas de concientizacióndirigidas a
estudiantes e impulsar políticas institucionales que faciliten la adopción de estas
rutinas saludables en las universidades. En conclusión, la educación en hábitos de
higiene física en el nivel universitario es fundamental para la prevención de
enfermedades y la promoción del bienestar entre los jóvenes. Se requiere un
abordaje integral que favorezca el cambio de comportamientos hacia una mejor
calidad de vida
Charting nanocluster structures via convolutional neural networks
A general method to obtain a representation of the structural landscape of
nanoparticles in terms of a limited number of variables is proposed. The method
is applied to a large dataset of parallel tempering molecular dynamics
simulations of gold clusters of 90 and 147 atoms, silver clusters of 147 atoms,
and copper clusters of 147 atoms, covering a plethora of structures and
temperatures. The method leverages convolutional neural networks to learn the
radial distribution functions of the nanoclusters and to distill a
low-dimensional chart of the structural landscape. This strategy is found to
give rise to a physically meaningful and differentiable mapping of the atom
positions to a low-dimensional manifold, in which the main structural motifs
are clearly discriminated and meaningfully ordered. Furthermore, unsupervised
clustering on the low-dimensional data proved effective at further splitting
the motifs into structural subfamilies characterized by very fine and
physically relevant differences, such as the presence of specific punctual or
planar defects or of atoms with particular coordination features. Owing to
these peculiarities, the chart also enabled tracking of the complex structural
evolution in a reactive trajectory. In addition to visualization and analysis
of complex structural landscapes, the presented approach offers a general,
low-dimensional set of differentiable variables which has the potential to be
used for exploration and enhanced sampling purposes.Comment: 28 pages, 13 figure
Multivariable controller design for the cooling system of a PEM fuel cell by considering nearly optimal solutions in a multi-objective optimization approach
[EN] This paper presents a design for the multivariable control of a cooling system in a PEM (proton exchange membrane) fuel cell stack. This system is complex and challenging enough: interactions between variables, highly nonlinear dynamic behavior, etc. This design is carried out using a multiobjective optimization methodology. There are few previous works that address this problem using multiobjective techniques. Also, this work has, as a novelty, the consideration of, in addition to the optimal controllers, the nearly optimal controllers nondominated in their neighborhood (potentially useful alternatives). In the multiobjective optimization problem approach, the designer must make decisions that include design objectives; parameters of the controllers to be estimated; and the conditions and characteristics of the simulation of the system. However, to simplify the optimization and decision stages, the designer does not include all the desired scenarios in the multiobjective problem definition. Nevertheless, these aspects can be analyzed in the decision stage only for the controllers obtained with a much less computational cost. At this stage, the potentially useful alternatives can play an important role. These controllers have significantly different parameters and therefore allow the designer to make a final decision with additional valuable information. Nearly optimal controllers can obtain an improvement in some aspects not included in the multiobjective optimization problem. For example, in this paper, various aspects are analyzed regarding potentially useful solutions, such as (1) the influence of certain parameters of the simulator; (2) the sample time of the controller; (3) the effect of stack degradation; and (4) the robustness. Therefore, this paper highlights the relevance of this in-depth analysis using the methodology proposed in the design of the multivariable control of the cooling system of a PEM fuel cell. This analysis can modify the final choice of the designer.This study was supported in part by the Ministerio de Ciencia, Innovacion y Universidades (Spain) (grant no. RTI2018-096904-B-I00) and by the Generalitat Valenciana regional government through project AICO/2019/055.Pajares-Ferrando, A.; Blasco, X.; Herrero Durá, JM.; Simarro Fernández, R. (2020). Multivariable controller design for the cooling system of a PEM fuel cell by considering nearly optimal solutions in a multi-objective optimization approach. Complexity. 2020:1-17. https://doi.org/10.1155/2020/8649428S1172020Gunantara, N. (2018). A review of multi-objective optimization: Methods and its applications. Cogent Engineering, 5(1), 1502242. doi:10.1080/23311916.2018.1502242Engau, A., & Wiecek, M. M. (2007). Generating ε-efficient solutions in multiobjective programming. European Journal of Operational Research, 177(3), 1566-1579. doi:10.1016/j.ejor.2005.10.023Loridan, P. (1984). ?-solutions in vector minimization problems. Journal of Optimization Theory and Applications, 43(2), 265-276. doi:10.1007/bf00936165White, D. J. (1986). Epsilon efficiency. Journal of Optimization Theory and Applications, 49(2), 319-337. doi:10.1007/bf00940762Pajares, A., Blasco, X., Herrero, J. M., & Reynoso-Meza, G. (2018). A Multiobjective Genetic Algorithm for the Localization of Optimal and Nearly Optimal Solutions Which Are Potentially Useful: nevMOGA. Complexity, 2018, 1-22. doi:10.1155/2018/1792420Schutze, O., Vasile, M., & Coello, C. A. C. (2011). Computing the Set of Epsilon-Efficient Solutions in Multiobjective Space Mission Design. Journal of Aerospace Computing, Information, and Communication, 8(3), 53-70. doi:10.2514/1.46478Pajares, A., Blasco, X., Herrero, J. M., & Reynoso-Meza, G. (2019). A New Point of View in Multivariable Controller Tuning Under Multiobjective Optimization by Considering Nearly Optimal Solutions. IEEE Access, 7, 66435-66452. doi:10.1109/access.2019.2915556Fredriksson, A., Forsgren, A., & Hårdemark, B. (2011). Minimax optimization for handling range and setup uncertainties in proton therapy. Medical Physics, 38(3), 1672-1684. doi:10.1118/1.3556559Lee, J., & Johnson, G. E. (1993). Optimal tolerance allotment using a genetic algorithm and truncated Monte Carlo simulation. Computer-Aided Design, 25(9), 601-611. doi:10.1016/0010-4485(93)90075-yAndújar, J. M., & Segura, F. (2009). Fuel cells: History and updating. A walk along two centuries. Renewable and Sustainable Energy Reviews, 13(9), 2309-2322. doi:10.1016/j.rser.2009.03.015Mehta, V., & Cooper, J. S. (2003). Review and analysis of PEM fuel cell design and manufacturing. Journal of Power Sources, 114(1), 32-53. doi:10.1016/s0378-7753(02)00542-6De las Heras, A., Vivas, F. J., Segura, F., Redondo, M. J., & Andújar, J. M. (2018). Air-cooled fuel cells: Keys to design and build the oxidant/cooling system. Renewable Energy, 125, 1-20. doi:10.1016/j.renene.2018.02.077Kandlikar, S. G., & Lu, Z. (2009). Thermal management issues in a PEMFC stack – A brief review of current status. Applied Thermal Engineering, 29(7), 1276-1280. doi:10.1016/j.applthermaleng.2008.05.009Yan, Q., Toghiani, H., & Causey, H. (2006). Steady state and dynamic performance of proton exchange membrane fuel cells (PEMFCs) under various operating conditions and load changes. Journal of Power Sources, 161(1), 492-502. doi:10.1016/j.jpowsour.2006.03.077Maghanki, M. M., Ghobadian, B., Najafi, G., & Galogah, R. J. (2013). Micro combined heat and power (MCHP) technologies and applications. Renewable and Sustainable Energy Reviews, 28, 510-524. doi:10.1016/j.rser.2013.07.053Notter, D. A., Kouravelou, K., Karachalios, T., Daletou, M. K., & Haberland, N. T. (2015). Life cycle assessment of PEM FC applications: electric mobility and μ-CHP. Energy & Environmental Science, 8(7), 1969-1985. doi:10.1039/c5ee01082aMartinez, S., Michaux, G., Salagnac, P., & Bouvier, J.-L. (2017). Micro-combined heat and power systems (micro-CHP) based on renewable energy sources. Energy Conversion and Management, 154, 262-285. doi:10.1016/j.enconman.2017.10.035Elmer, T., Worall, M., Wu, S., & Riffat, S. B. (2015). Fuel cell technology for domestic built environment applications: State of-the-art review. Renewable and Sustainable Energy Reviews, 42, 913-931. doi:10.1016/j.rser.2014.10.080Hawkes, A., Staffell, I., Brett, D., & Brandon, N. (2009). Fuel cells for micro-combined heat and power generation. Energy & Environmental Science, 2(7), 729. doi:10.1039/b902222hEllamla, H. R., Staffell, I., Bujlo, P., Pollet, B. G., & Pasupathi, S. (2015). Current status of fuel cell based combined heat and power systems for residential sector. 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A Comparison of Archiving Strategies for Characterization of Nearly Optimal Solutions under Multi-Objective Optimization
[EN] In a multi-objective optimization problem, in addition to optimal solutions, multimodal and/or nearly optimal alternatives can also provide additional useful information for the decision maker. However, obtaining all nearly optimal solutions entails an excessive number of alternatives. Therefore, to consider the nearly optimal solutions, it is convenient to obtain a reduced set, putting the focus on the potentially useful alternatives. These solutions are the alternatives that are close to the optimal solutions in objective space, but which differ significantly in the decision space. To characterize this set, it is essential to simultaneously analyze the decision and objective spaces. One of the crucial points in an evolutionary multi-objective optimization algorithm is the archiving strategy. This is in charge of keeping the solution set, called the archive, updated during the optimization process. The motivation of this work is to analyze the three existing archiving strategies proposed in the literature (ArchiveUpdateP(Q,epsilon)D(xy), Archive_nevMOGA, and targetSelect) that aim to characterize the potentially useful solutions. The archivers are evaluated on two benchmarks and in a real engineering example. The contribution clearly shows the main differences between the three archivers. This analysis is useful for the design of evolutionary algorithms that consider nearly optimal solutions.This work was supported in part by the Ministerio de Ciencia, Innovacion y Universidades (Spain) (grant number RTI2018-096904-B-I00), by the Generalitat Valenciana regional government through project AICO/2019/055 and by the Universitat Politecnica de Valencia (grant number SP20200109).Pajares-Ferrando, A.; Blasco, X.; Herrero Durá, JM.; Martínez Iranzo, MA. (2021). A Comparison of Archiving Strategies for Characterization of Nearly Optimal Solutions under Multi-Objective Optimization. Mathematics. 9(9):1-28. https://doi.org/10.3390/math9090999S1289
Educación continua a distancia: modelos, entornos, desarrollo y especificaciones
A definition of distance education is presented (one more), to focus later to online education. It is necessary an educational model as a theoretical basis of the elements which act to consolidate the fulfillment of an online course and also as a support the teaching-learning process; in order to achieve this double goal, a constructivist approach that ends at the instructional design is chosen. Afterwards an online course is presented using this model. E-learning systems and their interoperability are described, stressing that that the utmost emphasis has occurred in the criteria generation that allows the export of systems between them, Learning Managements Systems (LMS’s) and Learning Content Management Systems (LCM's) are described. A summary of international standards and specifications about e-learning are presented, emphasizing that the relative quality criteria are still diversified and seldom applied. Since standards and specifications at present do not consider the specific area of Continuing Education -and less the still the online education offered to engineers- it is suggested to take a decided action in this field, in order to promote the development of the same ones. Se presenta una definición de Educación a Distancia (una más), para después enfocarse a la educación en línea. Se hace notar la necesidad de un modelo como base teórico-educativa de los factores que intervienen para consolidar la realización de un curso en línea y como sustento del proceso de enseñanza-aprendizaje; para ello, se elige un enfoque constructivista que desemboca en el diseño instruccional. Se presenta el diseño de un curso en línea usando este modelo y se comenta la experiencia al respecto de la División de Educación continua de la Facultad de Ingeniería de la UNAM. Se describen los entornos e-learning y su interoperabilidad enfatizando que el mayor énfasis se ha dado en la generación de criterios que permitan la exportación de sistemas entre plataformas. Se describen los llamados Learning Management Systems (LMS’s) y Learning Content Management Systems (LCM’s). Se hace una presentación sucinta de las normas y especificaciones internacionales sobre el elearning haciendo notar que los criterios de calidad al respecto aún son dispersos y poco aplicados. Dado que las normas y estándares desarrollados hasta la fecha no consideran el ámbito particular de la educación continua –y menos aún la destinada a ingenieros que se ofrece en línea- se sugiere una acción decidida en este campo que impulse el desarrollo de las mismas en cada nación
How to escape poverty through education?: Intergenerational evidence in Spain
This paper analyzes the determinants of escaping poverty through education in Spain, with this being the country that, according to Eurostat (2010), is among the top European countries regarding the percentage of the population affected by poverty. Specifically, the paper studies the transmission of poverty over two generations by analyzing the factors that affect the probability of having completed the secondary level of education. To that end, we use the conceptual Quantity-Quality model of Becker-Lewis, empirically estimated by using the Survey of Living Conditions (2011) provided by the Spanish Statistical Institute. Our results confirm the intergenerational transmission of poverty in Spain, in such a way that the probability that the respondent has completed secondary education is determined, although not exclusively, by the family conditions of the respondents during their teenage years
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