{"title":"Reactive molecular dynamics analysis of alumina nano-powders under warm compaction process","authors":"A.R. Khoei , M. Vafaei Sefti , A. Rezaei Sameti","doi":"10.1016/j.apt.2024.104702","DOIUrl":"10.1016/j.apt.2024.104702","url":null,"abstract":"<div><div>In this paper, the warm compaction process of alumina ceramic nano-powders is investigated through the molecular dynamics method, emphasizing the impact of nanoparticle size, heating temperature, and confining pressure on the final green product. The study unravels the complexities of the alumina compaction process with a focus on alpha-alumina (α-Al<sub>2</sub>O<sub>3</sub>) based on the reactive force field (ReaxFF). Three distinct stages are performed through the MD analysis of the warm compaction process, i.e. relaxing the nano-powders, increasing the pressure and temperature, and decreasing them to the room conditions. The nano-powders are generated with various sizes of nanoparticles to facilitate a comprehensive exploration of size effect on the compaction behavior. The accuracy of the proposed computational model is verified by comparing the results of the alumina nano-powder warm compaction process with those of experimental data. The optimal hold time is determined for the peak density in the MD analysis of the warm compaction process. The results highlight a nonlinear behavior of heating temperature and pressure on the relative density of the final green product, such that the temperature influence significantly reduces by increasing the pressure. Moreover, the size of nanoparticles is investigated during the warm compaction process of alumina nano-powders; it is shown that the relative density and energy density of the final green product increase by decreasing the size of nanoparticles.</div></div>","PeriodicalId":7232,"journal":{"name":"Advanced Powder Technology","volume":"35 12","pages":"Article 104702"},"PeriodicalIF":4.2,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142555029","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Viscosity control of alumina dispersed resin through design of surface modifier by a QSPR-method","authors":"Ryosuke Maekawa , Haruna Nakayoshi , Makoto Kawano , Chika Takai","doi":"10.1016/j.apt.2024.104701","DOIUrl":"10.1016/j.apt.2024.104701","url":null,"abstract":"<div><div>In order to dissipate heat in electronic devices, particle-dispersed resins are commonly used to fill gaps between components. It is crucial to reduce the viscosity of the particle-dispersed resin to ensure complete filling. To achieve low viscosity, surface-modified particles using silane coupling agents have been developed to enhance compatibility with the resin. In this study, we focused on the Hansen solubility parameter (HSP) indicating compatibility of substances. We established a method to accurately predict HSP values using a combination of quantum chemical calculations and machine learning techniques known as the quantitative structure property relationships method (QSPR-method). Using this method, we calculated the HSP values of various silane coupling agents for modifying alumina particles and investigated their correlation with the viscosity of the alumina particle-dispersed resin. This study aimed to verify whether the QSPR method can be used to design silane coupling agents that can significantly reduce viscosity of particle-dispersed resins.</div></div>","PeriodicalId":7232,"journal":{"name":"Advanced Powder Technology","volume":"35 12","pages":"Article 104701"},"PeriodicalIF":4.2,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142554492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tantular Nurtono, Hendrix Abdul Ajiz, W. Widiyastuti, Heru Setyawan
{"title":"Behavior of tunable ZnO quantum dots (QDs) stabilized by surfactant-free silica nanofluids in their visible luminescence spectra","authors":"Tantular Nurtono, Hendrix Abdul Ajiz, W. Widiyastuti, Heru Setyawan","doi":"10.1016/j.apt.2024.104697","DOIUrl":"10.1016/j.apt.2024.104697","url":null,"abstract":"<div><div>This research explores the impact of ZnO quantum dots (QDs) physical characteristics, stabilized by cationic surfactants hexadecyltrimethylammonium bromide (CTAB) and embedded in silica alcogel networks, on their optical properties as photomaterials. Using the sol–gel method with ethanol dispersants, the synthesized ZnO QDs displayed varying optical characteristics based on the stabilizer type. When stabilized with cationic surfactants, the ZnO QDs exhibited photoluminescence (PL) emissions in the visible spectrum, specifically green emission at 536 nm with a band gap energy of 2.31 eV, which closely resembled those of pure ZnO QDs. However, these cationic surfactant-stabilized ZnO QDs demonstrated a significant PL intensity decline of 86 % within the first 24 h, suggesting a limited shelf life. As an alternative, silica nanofluids were utilized as stabilizers within a transparent solid matrix, showing a stabilizing effect on the ZnO nanoparticle size, which remained under 10 nm even as the alcogel composite bulk scaled to micrometer dimensions. This study varied the concentration of ZnO and the pH of silica nanofluids during the ZnO/SiO<sub>2</sub> nanocomposite formation, which significantly influenced the photoluminescence performance, transmittance, and stability. After being storage for 14 days at ambient temperature, the silica-stabilized ZnO QDs remarkably showed a PL emission intensity more than a thousand times higher at a pH 10 of silica nanofluids than ZnO QDs stabilized by the cationic surfactant CTAB. This enhancement underscores the efficacy of silica nanofluids as stabilizers, whose pH can be adjusted to optimize PL emissions within specific visible light spectra, showcasing potential for tailored photomaterial applications.</div></div>","PeriodicalId":7232,"journal":{"name":"Advanced Powder Technology","volume":"35 12","pages":"Article 104697"},"PeriodicalIF":4.2,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528018","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Effect of calcination temperature on the structural, microstructure, and electrical properties of CeO2 nanoparticles as a solid electrolyte for IT-SOFC application","authors":"Raj Kumar , Vedika Yadav , Pinki Singh , Piyush K. Sonkar , Upendra Kumar , Satyendra Singh","doi":"10.1016/j.apt.2024.104710","DOIUrl":"10.1016/j.apt.2024.104710","url":null,"abstract":"<div><div>This article comprehensively discusses the effect of calcination temperatures such as 400 °C, 600 °C, and 700 °C of the single-phase ceria oxide (CeO<sub>2</sub>) nanoparticles synthesized via sol–gel chemical root. The first principle calculation performed on the cubic fluorite structure of ceria oxide shows Ce(5d) and O(2p) contributed to the indirect band gap n-type semiconducting response. The structural studies also show the crystallization of CeO<sub>2</sub> in the cubic structure with a gradual change in crystallite size, dislocation density, and micro-strain with temperature. The stretching vibration of Ce–O at 437 and 541 cm<sup>−1</sup> in the Fourier-transform infrared (FTIR) spectrum reconfirms the monophasic nature of the obtained samples. The morphology of the sintered pellets is strongly affected by varying calcination temperatures, such as lower-temperature calcined materials containing larger grains and vice versa. The X-ray photoelectron spectroscopy (XPS) studies show oxygen vacancies and Ce’s mixed states in Ce<sup>3+</sup>/Ce<sup>4+</sup>. Arrhenius-type transport behavior was reflected through DC conductivity analysis that reveals the two conduction regions: electrons through Ce’s degenerate sites in the region-1 (90–280°C) and oxygen ions in the region-2 (280–410°C). The spectroscopic plots extracted the grain and grain boundary contribution, affecting the electrical properties. The grain boundary has a higher activation energy than the grains due to voids and disordered structures at the interface, similar to DC conduction studies. The sample Ce-4′s blocking factor supports the highest DC conductivity of almost 10<sup>−2</sup> S/cm, close to IT-SOFC solid electrolyte conductivity. Therefore, the present study may open the window to commercialize ceria oxide-based solid electrolytes through grain/grain-boundary engineering in IT-SOFCs.</div></div>","PeriodicalId":7232,"journal":{"name":"Advanced Powder Technology","volume":"35 12","pages":"Article 104710"},"PeriodicalIF":4.2,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528029","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Corrigendum to “Investigating the effect of mechanical activation duration (MAD) on the microstructure and corrosion behavior of TiAl intermetallic compounds” [Adv. Powder Technol. 33(4) (2024) 104690]","authors":"Alireza Karimi , Mandana Adeli , Makoto Kobashi","doi":"10.1016/j.apt.2024.104711","DOIUrl":"10.1016/j.apt.2024.104711","url":null,"abstract":"","PeriodicalId":7232,"journal":{"name":"Advanced Powder Technology","volume":"35 12","pages":"Article 104711"},"PeriodicalIF":4.2,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528028","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Wei Zhang , Chuanniu Yuan , Weijian Xiao , Xu Gong , Bozhan Hai , Rongxin Chen , Jian Zhou
{"title":"MPFEM investigation on densification and mechanical structures during ferrous powder compaction","authors":"Wei Zhang , Chuanniu Yuan , Weijian Xiao , Xu Gong , Bozhan Hai , Rongxin Chen , Jian Zhou","doi":"10.1016/j.apt.2024.104700","DOIUrl":"10.1016/j.apt.2024.104700","url":null,"abstract":"<div><div>Metal powder compaction is a crucial process in powder metallurgy, significantly affecting the final properties of compacts. However, the quantitative characteristics of multi-scale mechanical structures and the microscopic densification behavior, taking into account the influence of friction conditions, remain unclear. This study utilises a two-dimensional multi-particle finite element method to analyse the ferrous powder compaction. The evolution of powder densification, powder deformation and multi-scale mechanical behaviour under different friction coefficient conditions are analyzed quantitatively and qualitatively. Results reveal that powder densification occurs in distinct stages, with lower friction coefficients promoting greater powder densification, as observed from relative density and coordination number. Additionally, as the axial strain increases, plastic strain gradually rises whilst roundness decreases. Higher friction coefficients are associated with higher equivalent plastic strain but lower powder roundness. The Von Mises stress exhibits different stages of increase with the increment of axial strain. Powders with lower friction coefficients exhibit lower levels of Von Mises stress. As axial strain increases, the number, length, strength and direction coefficient of force chains undergo different evolution processes. Force chains exhibit longer length, fewer numbers, lower strength and lower direction coefficients at lower friction coefficients.</div></div>","PeriodicalId":7232,"journal":{"name":"Advanced Powder Technology","volume":"35 12","pages":"Article 104700"},"PeriodicalIF":4.2,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528030","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Development of design method for wet stirred ball milling by simulation using DEM","authors":"Kizuku Kushimoto , Akira Kondo , Takahiro Kozawa , Makio Naito , Junya Kano","doi":"10.1016/j.apt.2024.104689","DOIUrl":"10.1016/j.apt.2024.104689","url":null,"abstract":"<div><div>A design method for wet stirred ball milling by the simulation using the Discrete Element Method (DEM) was developed. The method optimized milling conditions for wet stirred ball milling by using the simulation to search for the optimal milling condition that maximizes a milling performance indicator. The milling performance indicator was defined in such a manner that the value of the indicator was maximized when more target particles with the desired particle diameter were produced in less milling time and with lower power consumption and less contamination. Furthermore, it was confirmed that the optimal milling condition estimated by the simulation agreed with the experiments. Therefore, it was suggested that the developed method has the potential to design the milling conditions of the wet stirred ball milling.</div></div>","PeriodicalId":7232,"journal":{"name":"Advanced Powder Technology","volume":"35 12","pages":"Article 104689"},"PeriodicalIF":4.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Microwave absorption of FeCo-C core–shell nanoparticles with tunable thickness of C shells and the underlying mechanism","authors":"Daitao Kuang , Shiliang Wang","doi":"10.1016/j.apt.2024.104694","DOIUrl":"10.1016/j.apt.2024.104694","url":null,"abstract":"<div><div>In order to address the key question of how the thickness of the C shell affects the microwave absorption properties of metal-C core–shell nanoparticles, FeCo-C core–shell nanoparticles, with identical metal cores but varied carbon shell thicknesses, were synthesized by simply annealing FeCo-C core–shell nanoparticles in air. The free electronic-polarization theory was employed, and thus the polarization storage dependence of the loss plot, <em>i.e.</em>, <span><math><mrow><msubsup><mi>ε</mi><mrow><mi>p</mi></mrow><mo>′</mo></msubsup><mo>-</mo><msubsup><mi>ε</mi><mrow><mi>p</mi></mrow><mrow><mo>\"</mo></mrow></msubsup></mrow></math></span> was introduced to elucidate the underlying microwave absorption mechanism. It was found that permittivities, conduction and polarization losses degrade as the carbon shell becomes thinner. Meanwhile, the thickness of the C shells was well adjusted to tune the magnetic resonance frequencies and intensities of the nanoparticles. Notably, a thicker C shell enhances the complete polarization relaxation process and increases polarization loss. Due to optimal dielectric and magnetic properties, FeCo-C nanoparticles exhibit an optimal reflection loss value up to −72.2 dB and an effective absorption bandwidth of 7.6 GHz at 3.5 mm. These results indicate that the synthesized FeCo-C core–shell nanoparticle is a promising candidate for microwave absorption applications. Furthermore, the introduction of <span><math><mrow><msubsup><mi>ε</mi><mrow><mi>p</mi></mrow><mo>′</mo></msubsup><mo>-</mo><msubsup><mi>ε</mi><mrow><mi>p</mi></mrow><mrow><mo>\"</mo></mrow></msubsup></mrow></math></span> plot is expected to have a significant impact on the field of microwave absorption.</div></div>","PeriodicalId":7232,"journal":{"name":"Advanced Powder Technology","volume":"35 12","pages":"Article 104694"},"PeriodicalIF":4.2,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528121","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}