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Understanding the effect of preparation technique and compaction pressure on the microstructure, sinterability and mechanical properties of the Cu-20 wt% WC composite prepared with recycled WC

Journal of Alloys and Compounds Communications

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Journal of Alloys and Compounds Communications 2025年 6卷

作者： Rafael A. Raimundo Franciné A. Costa Marco A. Morales Daniel A. Macedo Angelus G.P. Silva Uílame U. Gomes Federal University of Paraíba Department of Materials Science and Engineering João Pessoa PB 58051-900 Brazil TEMA – Centre for Mechanical Technology and Automation Department of Mechanical Engineering University of Aveiro Aveiro 3810-193 Portugal Mechanical Engineering Postgraduate Program UFRN Natal 59078-970 Brazil Department of Theoretical and Experimental Physics UFRN Natal 59078-970 Brazil Materials Science and Engineering Postgraduate Program UENF Campos dos Goytacazes 28015-620 Brazil Materials Science and Engineering Postgraduate Program UFRN Natal 59078-970 Brazil

The study investigated the impact of different preparation techniques (Mechanical Mixing - MM and High Energy Milling - HEM) and compaction pressures on the microstructure, sinterability and mechanical properties of the Cu-20 %WC composite using recycled WC. The results indicated that HEM promotes greater homogeneity, dispersion and refinement of the WC phase in copper, resulting in denser and more uniform microstructures after sintering. Although higher pressures increased the density of green compacts, they reduced densification during sintering, especially for powders prepared by MM, due to the segregation of the Cu and WC phases. On the other hand, compacts sintered with HEM powders prsented higher Vickers microhardness and better magnetic properties, attributed to the uniform distribution of WC particles and the increase in the interaction between the phases. Furthermore, the study highlights the influence of metallic impurities (Fe, Co and Ni) on the magnetic properties of the composite materials.

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Reversible Actuation of α-Borophene Nanoscrolls

arXiv

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arXiv 2023年

作者： Fabris, Guilherme S.L. Galvão, D.S. Paupitz, Ricardo Postgraduate Program in Materials Science and Engineering Federal University of Pelotas RS Pelotas96010-610 Brazil Applied Physics Department State University of Campinas SP Campinas13083-970 Brazil Sao Paulo State University - Unesp Physics Department SP Rio ClaroCEP-13506-900 Brazil

In this work, we proposed and investigated the structural and electronic properties of boron-based nanoscrolls (armchair and zigzag) using the DFTB+ method. We also investigated the electroactuation process (injecting and removing charges). A giant electroactuation was observed, but the results show relevant differences between the borophene and carbon nanoscrolls. The molecular dynamics simulations showed that the scrolls are thermally and structurally stable for a large range of temperatures (up to 600K) and the electroactuation process can be easily tuned and can be entirely reversible for some configurations. © 2023, CC BY.

关键词： Molecular dynamics

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Electrocoagulation for Hospital Wastewater Treatment: Comparing Neural Network Models for Performance Simulation

Biomedical Materials and Devices

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Biomedical materials and Devices 2025年 1-28页

作者： Indira, Dewi Muzayyanah, Fitri Fauzi, Rifky Simanjuntak, Wasinton Yandri, Yandri Rohman, Fakhrony Sholahudin Sudibyo, Sudibyo Rakesh, Benadict Maryani, Anis Tatik Wibowo, Yudha Gusti Doctoral Program of Environmental Science Department of Postgraduate Program Universitas Lampung Lampung Indonesia Department of Mathematics Faculty of Science Institut Teknologi Sumatera Lampung Selatan Indonesia Department of Chemistry Universitas Lampung Lampung Indonesia Process Systems Engineering Centre (PROSPECT) Research Institute of Sustainable Environment (RISE) Universiti Teknologi Malaysia UTM Johor Bahru Johor 81310 Malaysia Research Center for Mining Technology National Research and Innovation Agency (BRIN) South Lampung 35352 Indonesia Council of Scientific and Industrial Research Institute of Minerals and Materials Technology Govt.of India Bhubaneswar India Postgraduate Program of Environmental Science Universitas Jambi Jambi Indonesia Department of Mining Engineering Faculty of Technologi Industry Institut Teknologi Sumatera Jl. Terusan Ryacudu Lampung Way Hui 35365 Indonesia Center for Green and Sustainable Materials Institut Teknologi Sumatera Lampung Indonesia

Hospital wastewater contains a complex mixture of pollutants, including biological, chemical, and pharmaceutical contaminants, which necessitates effective treatment strategies. This study investigates the efficiency of electrocoagulation for treating hospital wastewater while employing predictive modeling techniques, including feedforward neural networks (FFNN), neural Wiener (NW), neural Hammerstein (NH), and neural Hammerstein–Wiener (NHW) models. The electrocoagulation process was conducted using aluminum and carbon electrodes, with varying voltage levels (5 V, 10 V, and 15 V) and treatment durations (30, 60, 90, and 120 min). Key water quality parameters, including turbidity, biochemical oxygen demand (BOD), chemical oxygen demand (COD), Escherichia coli, and coliform bacteria, were analyzed before and after treatment. Results demonstrated that increasing voltage and contact time significantly enhanced pollutant removal, with the highest removal efficiencies observed at 15 V and 120 min. Electrocoagulation effectively reduced turbidity, BOD, and COD levels while achieving substantial microbial inactivation. The predictive models successfully captured electrocoagulation dynamics, with the neural Hammerstein–Wiener model exhibiting the highest accuracy (root mean square error [RMSE]: 0.0399, weighted mean absolute percentage error [WMAPE]: 0.0665). These findings suggest that electrocoagulation, coupled with advanced modeling techniques, provides a sustainable and efficient hospital wastewater treatment approach. Future research should focus on optimizing operational parameters, integrating hybrid treatment methods, and developing real-time monitoring systems to enhance treatment efficiency and cost-effectiveness. © The Author(s), under exclusive licence to Springer science+Business Media, LLC, part of Springer Nature 2025.

关键词： Electrocoagulation Hospital wastewater Neural modeling Wastewater treatment

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Eco-Friendly High Entropy Oxide Rock-Salt Type Structure for Oxygen Evolution Reaction Obtained by Green Synthesis Using Red Seaweed (Rhodophyta)

SSRN

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SSRN 2024年

作者： Santos, Jakeline RAIANE DORA DOS Raimundo, Rafael A. de Oliveira, João F.G.A. Hortencio, Johnnys da S. Loureiro, Francisco J.A. Macedo, Daniel A. Morales, Marco A. Gualandi, Isacco Tonelli, Domenica Gomes, Uílame U. Materials Science and Engineering Postgraduate Program UFRN Natal59078-970 Brazil Department of Industrial Chemistry "Toso Montanari" Industrial Chemistry UNIBO V.le Risorgimento 4 Bologna40136 Italy Department of Theoretical and Experimental Physics Federal University of Rio Grande do Norte UFRN Natal59078-970 Brazil Gleb Wataghin Institute of Physics - R. Sérgio Buarque de Holanda 777 - Cidade Universitária Campinas13083-859 Brazil Department of Chemistry Federal University of Paraíba UFPB João Pessoa58.051-900 Brazil TEMA - Centre for Mechanical Technology and Automation Mechanical Engineering Department University of Aveiro 3810-193 Portugal LASI - Intelligent Systems Associate Laboratory Portugal Materials Science and Engineering Postgraduate Program Federal University of Paraíba UFPB João Pessoa58051-900 Brazil

Global energy consumption increases year after year, causing the depletion of non-renewable sources. According to the International Energy Agency (IEA), global demand for electrical energy is expected to increase by 3.3% in 2024. Therefore, developing new renewable sources is urgent, including new devices for energy storage and conversion, particularly those governed by electrochemical reactions. Water splitting is a clean and sustainable technology capable of facing this issue by producing oxygen and hydrogen from water and electricity. However, a problem related to this technology is the slow kinetics, making it necessary to develop new electrocatalysts with high electrochemical performance. To meet this requirement, this work deals with for the first time a high entropy oxide with rock-salt structure synthesized by a green solgel synthesis using red seaweed (Rhodophyta) as polymerizing agent. Solgel synthesis allows the large-scale production of nanomaterials with high uniformity and dispersion of the chemical elements involved. The literature, which discussed the production of these oxides, reveals that agents harmful to the environment are applied during the synthesis steps, including sodium hydroxide, acetic acid, hexadecyltrimethylammonium bromide, urea, and ammonia. The composition of the high entropy oxide is (Mg0.2 Ni0.2 Co0.2 Cu0.2 Zn0.2 )O, it displays a low overpotential (336 mV vs. RHE at 10 mA cm-2 ), Tafel slope of 68 mV dec-1 , and excellent durability. The electrochemical performance of the high entropy oxide prepared in this work is superior to other electrocatalysts of the same class that were produced using transition metal-based precursors. © 2024, The Authors. All rights reserved.

关键词： Entropy

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Thermo-optical properties of luminescent carbon dots produced from biomass of Orbignya speciosa (babassu coconut)

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Journal of Molecular Liquids 2025年 423卷

作者： Oliveira, Maykol Christian Damasceno Silva, Adriano Almeida Silva-Silva, Tânia Patrícia Silva, Jhaemely Gabrielly Vieira da Silva Júnior, José Ferreira Sanchez, David Bell, Maria José Valenzuela Garcia, Hans Anderson Viana, Bartolomeu Cruz Terrones, Mauricio Costa, Rubens Silva Santos, Francisco Eroni Paz Physics Department Federal University of Piauí PI 64049550 Brazil Postgraduate Program in Engineering and Materials Science Federal University of 64049550 PI Teresina Brazil Department of Physics and Center for 2-Dimensional and Layered Materials The Pennsylvania State University University ParkPA16802 United States Federal University of Juiz de Fora Institute of Exact Sciences Department of Physics University Campus - UFJF/ ICE/ Department of Physics Martelos MG Juiz de Fora36036330 Brazil Federal Institute of Piauí Paranaíba Campus PI Parnaíba64211145 Brazil

Exploring materials with high nonlinearities derived from organic and biological sources has become a significant focus within the scientific community. Among these materials, carbon dots (CDs) synthesized from biomass have emerged as promising candidates due to their sustainable and cost-effective production methods. This study synthesized CDs from Orbignya speciosa (babassu coconut) biomass via a hydrothermal route. UV–visible absorption and Infrared spectrum analysis revealed characteristic bands associated with the formation of dots and the electronic transitions π–π* from aromatic C=C bonds in the CDs’ core and n–π* transitions of surface carboxylate groups, photoluminescence as a function of temperature and lifetime decay measurements show that the photoluminescence mechanisms in these materials due this transitions comes from electronic indirect transitions from primary sources of the core and carbonyl boundings in the surface of the material, additionally, to this the Dynamic Light Scattering (DLS) and Transmission Electronic Microscopy (TEM) give the structural properties of the dots, amorphous and with a large size distribution with a mean size of (21 ± 1) nm. Thermal lens spectroscopy (TLS) was employed to determine the material's thermal diffusivity, reaching a maximum value of 2.03 × 10−7 m2/s as a function of dilution. The Z-scan technique under continuous wave (CW) excitation at 532 nm investigated nonlinear optical properties, yielding a maximum thermal nonlinear refractive index (n2(th)) value of −5.87 × 10−5 esu. Furthermore, the photothermal efficiency of the CDs was quantified at 505 nm, demonstrating a high absorption efficiency of 94.9 %, suggesting their potential application in photothermal therapies. These findings contribute to understanding babassu coconut CDs’ thermo-optical behavior, highlighting their promise for various practical applications, particularly in biomedicine. © 2025 Elsevier B.V.

关键词： Refractive index

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Modelling and Application of Jutes Fiber Reinforced Epoxy Composite in the Development of Wind Blade for Low Intensity Winds

SSRN

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SSRN 2023年

作者： Junio, Raí Felipe Pereira Cardoso, Robson Luis B. Ramos, Roberto Paulo B. Leão Filha, Elza M. Ribeiro, Mauricio M. Candido, Verônica S. Rodrigues, Jean da S. Silva, Douglas Santos Monteiro, Sergio N. Fujiyama, Roberto T. Federal University of Pará—UFPA Engineering of Natural Resources of the Amazon Program Rua Augusto Corrêa 01 PA BelémCEP 66075-110 Brazil Federal Institute of Education Science and Technology of Pará – IFPA Materials Engineering Program Avenida Almirante Barroso 1155 Marco PA BelémCEP 66093-020 Brazil Federal University of Pará - UFPA Postgraduate Program in Industrial Engineering Rua Augusto Corrêa 01 PA BelémCEP 66075-110 Brazil Federal Institute of Education Science and Technology of Pará – IFPA Estrada do Icuí Guajará PA AnanindeuaCEP 67125-000 Brazil Military Institute of Engineering – IME Department of Materials Science Praça General Tibúrcio 80 Praia Vermelha Urca RJ Rio de JaneiroCEP 22290-270 Brazil

Natural fibres show an increasing potential as reinforcement of polymeric composites, representing a promising concurrent to glass and carbon fibres extensively used in the construction of wind turbine blades synthetic fibres recyclability/disposability and high production energy cost have already been discussed in the main turbine producing centres. In particular, the development of wind turbines for low wind speed areas can increase the energy generation potential of regions not originally eligible for the installation of large turbines. This study proposes the evaluation of the use of jute fibre (Corchorus capsularis) reinforced epoxy composite in the construction of S1210 airfoil profile, of a small-scale wind turbine for low wind speed regions, considering the structural parameters, developed incorporating the Classical Laminate Theory (CLT) and Extended Bredt-Batho Shear Flow Theory (EBSFT).In order to raise the elastic properties and enable the use of the failure criteria, the composite blades were characterized according to ASTM standards. The mechanical properties surveyed, together with the elastic parameters of the cross section, torsional stiffness, axial stiffness and flexural rigidity, demonstrated the feasibility of using the jute fiber reinforced epoxy composite in the blade construction, evaluated according to the maximum tension failure criterion. © 2023, The Authors. All rights reserved.

关键词： Laminated composites

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Theoretical insights into the chemical bonding, electronic structure, and spectroscopic properties of the lanarkite Pb2SO5 structure

arXiv

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arXiv 2023年

作者： Fabris, Guilherme S.L. Ferrer, Mateus M. Sambrano, Julio R. Almeida, Cláudio R.R. Paskocimas, Carlos A. La Porta, Felipe A. Graduate Program in Materials Science and Engineering Technological Development Center Universidade Federal de Pelotas RS Pelotas96010-610 Brazil Modeling and Molecular Simulation Group São Paulo State University Bauru São Paulo17033-360 Brazil Department of Materials Engineering Federal University of Rio Grande do Norte RN Natal59078-970 Brazil Postgraduate Program in Science and Engineering of Materials Federal University of Rio Grande do Norte RN Natal59078-970 Brazil Federal University of Technology - Paraná Nanotechnology and Computational Chemistry Laboratory Avenida dos Pioneiros 3131 CEP PR Londrina86036-370 Brazil State University of Londrina Post-Graduation Program in Chemistry Rodovia Celso Garcia Cid 445 km 380 CEP PR Londrina86057-970 Brazil

Lanarkite is a mineral formed by a combination of lead, sulphur, and oxygen atoms arranged in the general chemical formula Pb2SO5 (PSO) that crystallises with monoclinic symmetry (belonging to the C2/m space group, No. 12). This mineral was first discovered in Lanarkshire, Scotland and was named after its location. PSO has a unique structure comprising alternating penta-coordinated lead [PbO5] and tetra-coordinated sulphur [SO4] clusters. This lanarkite-type structure has recently attracted significant scientific interest and has been the focus of the superconducting material research community. However, its chemistry needs to be explored further. This article presents a comprehensive investigation on the chemical bonding, electronic structure, and spectroscopic properties of the lanarkite-type PSO structure from a computational perspective. Thus, different functionals in the DFT (e.g., PBE, PBE0, PBESOL, PBESOL0, BLYP, WC1LYP37, and B3LYP) were assessed to accurately predict their fundamental properties. All the DFT calculations were performed using a triple-zeta valence plus polarisation basis set. Among all the DFT functionals tested in this study, PBE showed the best agreement with the experimental data available in the literature. Our results also reveal that the [PbO5] clusters are formed with three Pb–O bond lengths, with values of about 2.32, 2.59, and 2.84 Å, respectively, while the [SO4] clusters have the same S–O bond length of 1.57 Å. We performed a complete topological analysis of this system to comprehend these structural differences. Additionally, the PSO structure has an indirect band gap energy of 2.9 eV and an effective mass ratio (mℎ∗ /me∗) of about 0.415 (using PBE calculations) which may, in principle, indicate a low recombination of electron-hole pairs in the lanarkite structure. Therefore, we believe that a detailed understanding of their electronic structures, spectroscopic properties as well as their chemical bonding is critically important

关键词： Lead compounds

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Stability and activity of nickel catalysts supported on diatomite for dry reforming of methane: Role of cerium and boron promoters

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Journal of the Energy Institute 2025年 120卷

作者： Azevedo, Amanda L. Melo, Dulce M.A. Silva, Yuri K.R.O. Oliveira, Ângelo A.S. Favacho, Vanessa S.S. Souza, Lalyson M.L.R. Rocha, Amanda R.C.C. Braga, Renata M. Postgraduate Program in Chemistry Federal University of Rio Grande do Norte Natal Brazil Postgraduate Program in Materials Science and Engineering Federal University of Rio Grande do Norte Natal Brazil Postgraduate Program in Petroleum Science and Engineering Federal University of Rio Grande Do Norte Natal Brazil Agricultural School of Jundiaí Federal University of Rio Grande do Norte RN Macaíba Brazil

This study evaluates the activity and stability of nickel-based catalysts supported on diatomite and promoted with 1 or 2 wt% of cerium or boron for the dry reforming of methane (DRM). Diatomite, a naturally abundant and low-cost support, requires no complex synthesis procedures and remains relatively underexplored in DRM applications. Given the economic viability of using this material, the incorporation of promoters such as cerium and boron can enhance its catalytic properties, including resistance to coke formation, thermal stability, and activity at both low and high temperatures, thereby increasing its potential for industrial application. The support composition was analyzed by X-ray fluorescence (XRF), and its morphology was examined using scanning electron microscopy (SEM). The catalysts were characterized by SEM, X-ray diffraction (XRD), nitrogen physisorption, H2 temperature-programmed reduction (H2-TPR), thermogravimetric analysis (TGA), and Raman spectroscopy. The catalytic performance results indicated that cerium addition enhanced CO2 and CH4 conversion, with 2 wt% Ce-promoted catalyst stands out due to its significantly higher conversion rates and lower coke formation, as observed in TGA. The 2 wt% boron-promoted catalyst exhibited greater stability, with significant resistance to coke formation, despite showing lower CH4 conversion. SEM analysis revealed the presence of carbon filaments, particularly in the catalysts without boron, whereas boron-promoted catalysts showed reduced filamentous carbon formation. The activation energies derived from the Arrhenius plot further corroborate these findings, demonstrating that boron-promoted catalysts exhibited satisfactory performance at high temperatures (>800 °C), where the reaction is thermodynamically controlled. In turn, cerium-promoted catalysts achieved superior catalytic performance at ≤ 700 °C and performed similarly to boron-containing catalysts at higher temperatures. Therefore, both promoters impa

关键词： Thermogravimetric analysis

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Estimation of the main air pollutants from different biomasses under combustion atmospheres by artificial neural networks

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Chemosphere 2024年 352卷 141484页

作者： Monteiro, Thalyssa Oliveira Alves, Pedro Augusto Araújo da Silva de Almeida Nava Barradas Filho, Alex Oliveira Villa-Vélez, Harvey Alexander Cruz, Glauber Postgraduate Program in Mechanical Engineering (PPGMEC) Department of Mechanics and Materials Federal Institute of Education Science and Technology of Maranhão (IFMA) Maranhão São Luís Brazil Postgraduate Program in Computer Science and Computational Mathematics (PPG-CCMC) Department of Computer Science University of São Paulo (USP) São Carlos São Paulo Brazil Data Analysis and Artificial Intelligence Laboratory (DARTi) Department of Computational Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil Department of Chemical Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil Processes and Thermal Systems Laboratory (LPSisTer) Department of Mechanical Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil

The production of biofuels to be used as bioenergy under combustion processes generates some gaseous emissions (CO, CO2, NOx, SOx, and other pollutants), affecting living organisms and requiring careful assessments. H... 详细信息

The production of biofuels to be used as bioenergy under combustion processes generates some gaseous emissions (CO, CO₂, NO_x, SO_x, and other pollutants), affecting living organisms and requiring careful assessments. However, obtaining such information experimentally for data evaluation is costly and time-consuming and its in situ obtaining for regional biomasses (e.g., those from Northeast Brazil (NEB) is still a major challenge. This paper reports on the application of artificial neural networks (ANNs) for the prediction of the main air pollutants (CO, CO₂, NO, and SO₂) produced during the direct biomass combustion (N₂/O₂:80/20%) with the use of ultimate analysis (carbon, hydrogen, nitrogen, sulfur, and oxygen). 116 worldwide biomasses were used as input data, which is a relevant alternative to overcome the lack of experimental resources in NEB and obtain such information. Cross-validation was conducted with k-fold to optimize the ANNs and performance was analyzed with the use of statistical errors for accuracy assessments. The results showed an acceptable statistical performance for all architectures of ANNs, with 0.001–12.41% MAPE, 0.001–5.82 mg Nm⁻³ MAE, and 0.03–52.30 mg Nm⁻³ RMSE, highlighting the high precision of the emissions studied. On average, the differences between predicted and real values for CO, CO₂, NO, and SO₂ emissions from NEB biomasses were approximately 0.01%, 10⁻⁶%, 0.14%, and 0.05%, respectively. Pearson coefficient provided consistent results of concentration of the ultimate analysis in relation to the emissions studied and effectiveness of the test set in the developed models. © 2024 Elsevier Ltd

关键词： Brazilian northeastern Environmental statistics Evaluation metrics Gaseous emissions Predictive models Thermoconversion

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Computational Characterization of the Recently Synthesized Pristine and Porous 12-Atom-Wide Armchair Graphene Nanoribbon

arXiv

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arXiv 2025年

作者： da Gomes, Djardiel S. Felix, Isaac M. Radel, Willian F. Dias, Alexandre C. Ribeiro Junior, Luiz A. Pereira Junior, Marcelo L. State University of Campinas Gleb Wataghin Institute of Physics Department of Applied Physics Campinas São Paulo13083-859 Brazil University of Brasília Faculty UnB Planaltina Materials Science Postgraduate Program Federal District Brasília Brazil Center for Agri-food Science and Technology Federal University of Campina Grande Paraíba Pombal58840-000 Brazil University of Brasília Institute of Physics Physics Postgraduate Program Federal District Brasília70910900 Brazil Institute of Physics International Center of Physics University of Brasília Federal District Brasília70910-900 Brazil Institute of Physics University of Brasília Federal District Brasília70910-900 Brazil Computational Materials Laboratory University of Brasília Federal District Brasília70910900 Brazil University of Brasília College of Technology Department of Electrical Engineering Federal District Brasília70910-900 Brazil

Recently synthesized Porous 12-Atom-Wide Armchair Graphene Nanoribbons (12-AGNRs) [Nano Lett. 2024, 24, 10718-10723]exhibit tunable properties through periodic porosity, enabling precise control over their electronic, optical, thermal, and mechanical behavior. This work presents a comprehensive theoretical characterization of pristine and porous 12-AGNRs based on density functional theory (DFT) and molecular dynamics (MD) simulations. DFT calculations reveal substantial electronic modifications, including band gap widening and the emergence of localized states. Analyzed within the Bethe–Salpeter equation (BSE) framework, optical properties highlight strong excitonic effects and significant absorption shifts. Thermal transport simulations indicate a pronounced reduction in conductivity due to enhanced phonon scattering at nanopores. At the same time, MD-based mechanical analysis shows decreased stiffness and strength while maintaining structural integrity. Despite these modifications, porous 12-AGNRs remain mechanically and thermally stable. These findings establish porosity engineering as a powerful strategy for tailoring graphene nanoribbons’ functional properties, reinforcing their potential for nanoelectronic, optoelectronic, and thermal management *** Codes 00-xx © 2025, CC BY.

关键词： Nanoribbons

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