Stability of FeVO4-II under Pressure: A First-Principles Study

PRICILA BETBIRAI ROMERO VAZQUEZ SINHUE LOPEZ MORENO Daniel Errandonea (2022, [Artículo])

"In this work, we report first-principles calculations to study FeVO4 in the CrVO4-type (phase II) structure under pressure. Total-energy calculations were performed in order to analyze the structural parameters, the electronic, elastic, mechanical, and vibrational properties of FeVO4-II up to 9.6 GPa for the first time. We found a good agreement in the structural parameters with the experimental results available in the literature. The electronic structure analysis was complemented with results obtained from the Laplacian of the charge density at the bond critical points within the Quantum Theory of Atoms in Molecules methodology. Our findings from the elastic, mechanic, and vibrational properties were correlated to determine the elastic and dynamic stability of FeVO4-II under pressure. Calculations suggest that beyond the maximum pressure covered by our study, this phase could undergo a phase transition to a wolframite-type structure, such as in CrVO4 and InVO4."

FeVO4 under pressure CrVO4-type structure First-principles Mechanical properties Vibrational properties Electronic properties CIENCIAS FÍSICO MATEMÁTICAS Y CIENCIAS DE LA TIERRA FÍSICA FÍSICA DEL ESTADO SÓLIDO CRISTALOGRAFÍA CRISTALOGRAFÍA

Thermal and mechanical properties of PLA-based multiscale cellulosic biocomposites

MIGUEL ANGEL RUZ CRUZ Pedro Jesús Herrera Franco Emmanuel Alejandro Flores Johnson MARIA VERONICA MORENO CHULIM LUCIANO MIGUEL GALERA MANZANO Alex Valadez González (2022, [Artículo])

In this work polylactic acid (PLA) based multiscale cellulosic biocomposites were prepared with the aim to evaluate the effect of the incorporation of cellulose nanocrystals (CNCs) on the PLA biocomposites reinforced with cellulose microfibers (MFCs). For this, PLA composite materials reinforced with both MFCs and with a combination of MFCs and CNCs were prepared, while keeping the content of cellulosic reinforcements constant. The thermal and mechanical properties of these multiscale PLA biocomposites were characterized by thermogravimetry (TGA), differential scanning calorimetry (DSC), flexural mechanical and, dynamic mechanical (DMA) tests. Likewise, they were characterized by Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The results show that the replacement of MFCs by CNCs in the 1–5% range appreciably modifies the thermal and mechanical properties of multiscale compounds. For example, they increase the thermal stability of the materials, modify the PLA crystallization process and play the role of adhesion promoters since the mechanical properties in flexure increase in the order of 40% and the storage modulus increases in the order of 35% at room temperature. Also, the addition of CNCs increases the relaxation temperature of the material from 50 to 60 °C, thereby expanding the temperature range for its use. © 2022 The Author(s)

MULTISCALE BIOCOMPOSITES CELLULOSE MICROFIBER CELLULOSE NANOCRYSTALS HIERARCHICAL STRUCTURE PROPERTIES INGENIERÍA Y TECNOLOGÍA CIENCIAS TECNOLÓGICAS TECNOLOGÍA DE MATERIALES PROPIEDADES DE LOS MATERIALES PROPIEDADES DE LOS MATERIALES

Impact of manures and fertilizers on yield and soil properties in a rice-wheat cropping system

Alison Laing Akbar Hossain (2023, [Artículo])

The use of chemical fertilizers under a rice-wheat cropping system (RWCS) has led to the emergence of micronutrient deficiency and decreased crop productivity. Thus, the experiment was conducted with the aim that the use of organic amendments would sustain productivity and improve the soil nutrient status under RWCS. A three-year experiment was conducted with different organic manures i.e. no manure (M0), farmyard manure@15 t ha-1 (M1), poultry manure@6 t ha-1(M2), press mud@15 t ha-1(M3), rice straw compost@6 t ha-1(M4) along with different levels of the recommended dose of fertilizer (RDF) i.e. 0% (F1), 75% (F2 and 100% (F3 in a split-plot design with three replications and plot size of 6 m x 1.2 m. Laboratory-based analysis of different soil as well as plant parameters was done using standard methodologies. The use of manures considerably improved the crop yield, macronutrients viz. nitrogen, phosphorus, potassium and micronutrients such as zinc, iron, manganese and copper, uptake in both the crops because of nutrient release from decomposed organic matter. Additionally, the increase in fertilizer dose increased these parameters. The system productivity was maximum recorded under F3M1 (13,052 kg ha-1) and results were statistically identical with F3M2 and F3M3. The significant upsurge of macro and micro-nutrients in soil and its correlation with yield outcomes was also observed through the combined use of manures as well as fertilizers. This study concluded that the use of 100% RDF integrated with organic manures, particularly farmyard manure would be a beneficial resource for increased crop yield, soil nutrient status and system productivity in RWCS in different regions of India.

CIENCIAS AGROPECUARIAS Y BIOTECNOLOGÍA ORGANIC FERTILIZERS YIELDS SOIL PROPERTIES RICE WHEAT CROPPING SYSTEMS

Deterministic Brownian-like Motion: Electronic Approach

JOSE LUIS ECHENAUSIA MONROY Eric Campos Cantón Rider Jaimes Reátegui JUAN HUGO GARCIA LOPEZ GUILLERMO HUERTA CUELLAR (2022, [Artículo])

"Brownian motion is a dynamic behavior with random changes over time (stochastic) that occurs in many vital functions related to fluid environments, stock behavior, or even renewable energy generation. In this paper, we present a circuit implementation that reproduces Brownian motion based on a fully deterministic set of differential equations. The dynamics of the electronic circuit are characterized using four well-known metrics of Brownian motion, namely: (i) Detrended Fluctuation Analysis (DFA), (ii) power law in the power spectrum, (iii) normal probability distribution, and (iv) Mean Square Displacement (MSD); where traditional Brownian motion exhibits linear time growth of the MSD, a Gaussian distribution, a −2 power law of the frequency spectrum, and DFA values close to 1.5. The obtained results show that for a certain combination of values in the deterministic model, the dynamics in the electronic circuit are consistent with the expectations for a stochastic Brownian behavior. The presented electronic circuit improves the study of Brownian behavior by eliminating the stochastic component, allowing reproducibility of the results through fully deterministic equations, and enabling the generation of physical signals (analog electronic signals) with Brownian-like properties with potential applications in fields such as medicine, economics, genetics, and communications, to name a few."

Brownian motion Deterministic Brownian motion DFA analysis Statistical analysis Electronic circuit Electronic implementation CIENCIAS FÍSICO MATEMÁTICAS Y CIENCIAS DE LA TIERRA FÍSICA ELECTRÓNICA ELECTRÓNICA

Chemically modified nanoparticles for enhanced antioxidant and antimicrobial properties with cinnamon essential oil

Aaron Azael Lopez Cano VERONICA MARTINEZ AGUILAR Mariana Peña-Juárez Ricardo López Esparza Enrique Delgado Alvarado Emmanuel Gutierrez MAYRA DEL ANGEL MONROY Elias Perez Agustin L. Herrera-May JOSE AMIR GONZALEZ CALDERON (2023, [Artículo])

We explored the potential of different nanoparticles (TiO2, CaCO3, and Al2O3), considering their pure form and modified with cinnamon essential oil (CEO). These materials were characterized using various techniques, including FTIR spectroscopy, XRD analysis, TGA, and SEM. The interaction between CEO and nanoparticles changed depending on the nanoparticle type. Al2O3 nanoparticles exhibited the strongest interaction with CEO, increasing their antioxidant capacity by around 40% and their transfer of antimicrobial properties, particularly against Gram-negative bacteria. In contrast, TiO2 and CaCO3 nanoparticles showed limited interaction with CEO, resulting in lower antioxidant capacity and antimicrobial activity. Incorporating pure and CEO-modified nanoparticles into polylactic acid (PLA) films improved their mechanical and thermal properties, which are suitable for applications requiring greater strength. This research highlights the potential of metal oxide nanoparticles to enhance the antimicrobial and antioxidant capabilities of polymers. In addition, incorporating cinnamon essential oil can increase the antioxidant and antimicrobial effectiveness of the metal oxide nanoparticles and improve the mechanical and thermal properties of PLA films. Thus, these PLA films exhibit favorable characteristics for active packaging applications.

Author contributions: conceptualization, V.M.-A. and J.A.G.-C.; formal analysis, A.A.L.-C., V.M.-A., M.G.P.-J. and M.D.A.-M.; funding acquisition, A.L.H.-M.; methodology, A.A.L.-C. and V.M.-A.; investigation, E.P.; supervision, R.L.-E., E.D.-A., and E.J.G.-C.; validation, A.L.H.-M. and J.A.G.-C.; writing—original draft, V.M.-A.; writing—review and editing, M.G.P.-J. and J.A.G.-C. All authors have read and agreed to the published version of the manuscript.

Funding: J.A. Gonzalez-Calderon thanks CONAHCYT for supporting the Catedras-CONAHCYT Program, and Verónica Martinez thanks CONAHCYT for the Doctoral Fellowship. The authors also want to thank CONAHCYT for funding the project CF2019 265239 “Ciencia de Frontera”, which made this work possible.

Institutional review board statement: Not applicable.

Informed consent statement: Not applicable.

Data availability statement: Data is contained within the article.

Acknowledgments: The authors acknowledge Claudia Hernández and Rosa Lina Tovar for their support during the XRD and SEM analyses.

Conflicts of interest: The authors declare no conflict of interest.

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Cinnamon essential oil Antioxidant activity Antimicrobial properties Nanoparticles Polylactic acid films INGENIERÍA Y TECNOLOGÍA CIENCIAS TECNOLÓGICAS OTRAS ESPECIALIDADES TECNOLÓGICAS OTRAS OTRAS

Mapas de densidad electrónica y cálculos de esféricos armónicos microestructurales en cerámicos de BaTiO3 obtenidos por spark plasma sintering

JESUS SALVADOR URIBE CHAVIRA (2023, [Tesis de doctorado])

Se realizaron moliendas de alta energía sobre polvos comerciales de BaTiO3 con una inicial coexistencia de fases ferroeléctricas (tetragonal, ortorrómbica y romboédrica). En los polvos sometidos al proceso de molienda, por medio de la microscopía electrónica de barrido y transmisión, se estudiaron los cambios en la composición química de los polvos por espectroscopía de rayos X de energía dispersiva, así como el estudio de la morfología de las partículas. A partir del patrón de difracción de rayos X, se realizó el refinamiento Rietveld para el estudio de los cambios estructurales y microestructurales producidos por la molienda como lo son: la densidad electrónica por el método de máxima entropía, la proporción de fases, cambios en los parámetros de red, variaciones en las coordenadas fraccionales de los átomos, el tamaño y forma promedio de cristalita y microtensiones por el método de esféricos armónicos manejado en la función Thompson-Cox-Hastings-pseudo-Voigt.

En los polvos se observó que no hubo un cambio sustancial en la composición química y que el tamaño de partícula se redujo. De igual manera, la fase tetragonal comenzó a predominar por encima de la fase ortorrómbica hasta alcanzar una proporción de fases de 9:1, los parámetros de red de ambas fases se incrementaron gradualmente, así como las microtensiones lo que indico que el tamaño de cristal se redujo y tendió a tomar una forma esférica. El incremento en los parámetros de red (variación de las coordenadas fraccionales atómicas) dio como resultado una disminución gradual de la densidad electrónica para todos los átomos. Los cambios antes mencionados sucedieron en función al tiempo de molienda.

Partiendo del polvo con 4 horas de molienda se sinterizaron pastillas por la técnica de sinterización asistida por plasma con una rampa de calentamiento de 100°C/min hasta una temperatura máxima de 1100°C con un esfuerzo axial aplicado durante todo el proceso de sinterización de 50 MPa y un vacío ≈ 2x100 Pa. La variable que se manipuló fueron los tiempos que se mantuvo la sinterización a temperatura máxima, los cuales, consistieron en 1, 3, 5 y 7 minutos. Una vez transcurrido el tiempo a temperatura máxima, se retiró de inmediato el esfuerzo axial y se apagó el suministro de energía. Las pastillas fueron sometidas a dos tratamientos térmicos: el primero de 1000°C durante 16 horas para la extracción del grafito difundido en el proceso de sinterización y el segundo de 1200°C durante 4 horas para inducir el cr

Densidad Electrónica Microestructuras BaTiO3 CIENCIAS FÍSICO MATEMÁTICAS Y CIENCIAS DE LA TIERRA FÍSICA QUÍMICA FÍSICA OTRAS OTRAS

Recomendaciones en la creación de un portal en línea para comercializar monederos electrónicos de vales de despensa a prospectos privados

ERIK VAZQUEZ PEDROZA (2023, [Otro, Trabajo de grado, maestría])

Muchas empresas otorgan como prestación social a sus empleados monederos electrónicos de vales de despensa. La

contratación de este servicio en la mayoría de los casos se hace por medios físicos, pero la realidad es que dicha

contratación puede generarse de forma electrónica. Las empresas están cambiando su forma de contratación al medio digital, e incluso los clientes en algunos casos buscan empresas que les ahorren tiempo en procesos. Da un valor el facilitarle procesos a clientes, empleados, disminuyendo tiempos de contratación e incluso gastos en mensajería,

gasolina de ejecutivos y tiempo e incluso mitigar riesgos respecto a pérdida de contratos originales o daño en ellos. la realidad es que las empresas poco a poco migrarán sus procesos a nuevas tecnologías o a tecnologías disruptivas y en

muchos casos por solicitud de sus clientes quienes buscan disminuir procesos. Por medio del presente trabajo se darán

recomendaciones para poder implementar la contratación de forma electrónica analizando temas de datos personales, electrónica, derecho de los consumidores, marcas, nombres de dominio, entre otros.

Contratos Protección de datos Firma electrónica Marcas INGENIERÍA Y TECNOLOGÍA CIENCIAS TECNOLÓGICAS TECNOLOGÍA DE LAS TELECOMUNICACIONES TECNOLOGÍA DE LAS TELECOMUNICACIONES

Low thermal conductivity solar domestic water heater

MIGUEL ANGEL PORTA GANDARA JOSE LUIS FERNANDEZ ZAYAS JUAN FRANCISCO VILLA MEDINA NORBERTO CHARGOY DEL VALLE (2022, [Artículo])

"Solar domestic water heaters (SWH) with thermosyphon circulation are the most common commercial applications of solar energy in Mexico. They are also becoming popular in the rest of the world, given their simplicity, good economic returns, and sustainability. Traditionally the solar collector, the piping, and the storage tank are built of copper and steel. However, wáter quality in many parts of the Mexican Northwest has high mineral contents and, when heated, results in early metal pitting corrosion of SWH parts. Short-lived water heaters are bad promoters of the technology. In this work, a SWH thermoplastic Chlorinated Polyvinyl Chloride (CPVC) is built and tested under real operating conditions in La Paz, BCS, Mexico. The optimal design is detected with the aid of a suitable numerical model. Results reveal that a full SWH-CPVC can be technically and economically convenient for the weather conditions of the Northwestern states of Mexico."

Low thermal conductivity solar water heater CPVC solar water heater Solar water heater cooper pitting corrosion Thermosiphon circulation INGENIERÍA Y TECNOLOGÍA CIENCIAS TECNOLÓGICAS TECNOLOGÍA ELECTRÓNICA DISPOSITIVOS TERMOELÉCTRICOS DISPOSITIVOS TERMOELÉCTRICOS

Arreglos de antenas para radiación tipo Isoflux en satélites LEO con diferentes alturas orbitales

Antenna arrays for Isoflux radiation in LEO satellites at various orbital altitudes

Paulina Díaz De la Paz (2023, [Tesis de maestría])

En los últimos años, las constelaciones de satélites en órbita baja han ganado popularidad como infraestructura para ofrecer el servicio de Internet satelital, y se espera que su presencia siga en aumento. Para minimizar la latencia en la transmisión de datos, estos satélites suelen situarse en el rango inferior y medio de la órbita baja terrestre. Comúnmente, los satélites de estas constelaciones emiten una radiación que consiste en un único haz que concentra la potencia en una sola dirección. Sin embargo, debido a la curvatura de la Tierra, las ondas electromagnéticas radiadas por el arreglo de antenas abordo del satélite viajan distancias diferentes. Las ondas que se desplazan en dirección del nadir del satélite hacen un recorrido más corto en comparación con las que se propagan en las direcciones más distantes a este. Este fenómeno ocasiona pérdidas de potencia en los bordes del área de cobertura. Para compensar estas pérdidas, se propone el uso de arreglos de antenas de radiación tipo Isoflux. Estos arreglos distribuyen la densidad de potencia de manera uniforme en el área de cobertura, aumentando la ganancia en direcciones donde el trayecto es más largo. Lograr este tipo de radiación para satélites en órbita baja se vuelve más desafiante. Debido a la proximidad del satélite a la Tierra, es necesario que la radiación se extienda sobre una gran parte del plano de elevación, requiriendo un haz Isoflux que sobrepasa los 100 grados. Esta tesis presenta 18 diseños de arreglos de antenas para satélites en las alturas orbitales de 340 km, 550 km y 1150 km. Para el diseño de estos arreglos, se emplean las geometrías lineales, planares y anillos concéntricos, tanto periódicas como aperiódicas. La distribución de excitaciones de amplitud y la separación entre elementos de antena se optimizan utilizando algoritmos genéticos. La presente tesis incluye un análisis comparativo de las prestaciones de radiación y cantidad de elementos de los diseños presentados, categorizados por altura orbital.

In recent years, the utilization of low-Earth orbit satellite constellations as infrastructure for providing satellite Internet services has experienced substantial growth. The rise of this trend is likely to continue. These satellites are typically placed in the lower to mid-range of low-Earth orbit in order to reduce latency in data transmission. It is common for the antenna arrays on these satellites to emit a single radiation beam that concentrates power in a singular direction. Due to the curvature of the Earth, the electromagnetic waves radiated by the antenna array travel different distances. Waves traveling in the satellite’s nadir direction cover a shorter distance compared to those propagating in more distant directions. This phenomenon causes power losses at the edges of the coverage area. To compensate for these losses, the use of Isoflux radiation antenna arrays is proposed. These arrays distribute the power density evenly across the coverage area, increasing gain in directions where the path is longer. Achieving such radiation characteristics becomes more difficult for low-Earth orbit satellites. Due to the satellite’s proximity to Earth, radiation needs to extend over a large portion of the elevation plane, requiring an Isoflux beam that exceeds 100 degrees. This thesis presents 18 antenna array designs for satellites at the orbital altitudes of 340 km, 550 km, and 1150 km. Linear, planar, and concentric ring geometries are employed, with both periodic and aperiodic antenna element distributions. The distribution of amplitude excitations and the spacing between antenna elements are optimized using genetic algorithms. This thesis includes a comparative analysis of the radiation performance and the number of elements of the presented designs, categorized by orbital altitude.

arreglos de antenas, radiación Isoflux, satélites LEO, algoritmos genéticos antenna arrays, Isoflux radiation, LEO satellites, genetic algorithms INGENIERÍA Y TECNOLOGÍA CIENCIAS TECNOLÓGICAS TECNOLOGÍA ELECTRÓNICA ANTENAS ANTENAS

Synthesis of hollow carbon spheres by chemical activation of carbon nanoparticles for their use in electrochemical capacitor

Cesar Eduardo Sanchez Rodriguez EDUARDO TOVAR MARTINEZ MARISOL REYES REYES Luis Felipe Cházaro Ruiz ROMAN LOPEZ SANDOVAL (2022, [Artículo])

"Naphthalene combustion has been used to synthesize grams per hour of solid carbon spheres (CS). The carbon soot was activated by acid treatment consisting in a mixture of HNO3 and H2SO4 (1/3 v/v) to produce hollow carbon spheres (HCS). The effect of two concentrations of CSs (5 and 10 mg mL−1) in the acid mixture, on the physicochemical properties of the activated HCSs was studied. The HSCs were subjected to a thermal treatment to increase their graphitization to enhance their electrical conductivity. High-resolution transmission electron microscopy confirmed the formation of HCSs due to the acid treatment whereas FTIR spectra showed that the chemical activation produced functional groups on the carbon spheres surface and the heat treatment effect to remove some of them as well. A specific surface area of 300 m2 g−1 and a large density of micropores for the acid-treated CSs as well as the heat-treated CSs were estimated by analysis of N2 adsorption-desorption isotherms. A specific capacitance 70 F g−1 was calculated by cyclic voltammetry of the acid and thermally treated HCSs at 5 mV s−1, for both CS concentrations, indicating the possibility of synthesizing these HCSs using a simple method in large quantities for their use in electrochemical capacitors."

Physicochemical properties Carbon nanoparticles Chemical activation Electrochemical capacitor BIOLOGÍA Y QUÍMICA QUÍMICA QUÍMICA