Beilstein Journal of Nanotechnology最新文献_第10页

Effects of cutting tool geometry on material removal of a gradient nanograined CoCrNi medium entropy alloy. 切削工具几何形状对梯度纳米晶粒钴铬镍中熵合金材料切削的影响

IF 2.6 4区材料科学

Beilstein Journal of Nanotechnology Pub Date : 2024-07-23 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.76

Yu-Sheng Lu, Yu-Xuan Hung, Thi-Xuyen Bui, Te-Hua Fang

{"title":"Effects of cutting tool geometry on material removal of a gradient nanograined CoCrNi medium entropy alloy.","authors":"Yu-Sheng Lu, Yu-Xuan Hung, Thi-Xuyen Bui, Te-Hua Fang","doi":"10.3762/bjnano.15.76","DOIUrl":"10.3762/bjnano.15.76","url":null,"abstract":"CoCrNi medium-entropy alloys (MEAs) have attracted extensive attention and research because of their superior mechanical properties, such as higher ductility, strength, and toughness. This study uses molecular dynamics (MD) simulations to investigate the cutting behavior of a gradient nanograined (GNG) CoCrNi MEA. Moreover, it explores the influence of relative tool sharpness and rake angle on the cutting process. The results show that an increase in the average grain size of the GNG samples leads to a decrease in the average resultant cutting force, as predicted by the Hall-Petch relationship. The deformation behavior shows that grain boundaries are crucial in inhibiting the propagation of strain and stress. As the average grain size of the GNG sample increases, the range of shear strain distribution and average von Mises stress decreases. Moreover, the cutting chips become thinner and longer. The subsurface damage is limited to a shallow layer at the surface. Since thermal energy is generated in the high grain boundary density, the temperature of the contact zone between the substrate and the cutting tool increases as the GNG size decreases. The cutting chips removed from the GNG CoCrNi MEA substrates will transform into a mixed structure of face-centered cubic and hexagonally close-packed phases. The sliding and twisting of grain boundaries and the merging of grains are essential mechanisms for polycrystalline deformation. Regarding the cutting parameters, the average resultant force, the material accumulation, and the chip volume increase significantly with the increase in cutting depth. In contrast to sharp tools, which mainly use shear deformation, blunt tools remove material by plowing, and the cutting force increases with the increase in cutting-edge radius and negative rake angle.","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":"15 ","pages":"925-940"},"PeriodicalIF":2.6,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11285073/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141791733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Identification of structural features of surface modifiers in engineered nanostructured metal oxides regarding cell uptake through ML-based classification. 通过基于 ML 的分类，识别工程纳米结构金属氧化物中有关细胞吸收的表面改性剂的结构特征。

IF 2.6 4区材料科学

Beilstein Journal of Nanotechnology Pub Date : 2024-07-22 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.75

Indrasis Dasgupta, Totan Das, Biplab Das, Shovanlal Gayen

{"title":"Identification of structural features of surface modifiers in engineered nanostructured metal oxides regarding cell uptake through ML-based classification.","authors":"Indrasis Dasgupta, Totan Das, Biplab Das, Shovanlal Gayen","doi":"10.3762/bjnano.15.75","DOIUrl":"10.3762/bjnano.15.75","url":null,"abstract":"Nanoparticles (NPs) are considered as versatile tools in various fields including medicine, electronics, and environmental science. Understanding the structural aspects of surface modifiers in nanoparticles that govern their cellular uptake is crucial for optimizing their efficacy and minimizing potential cytotoxicity. The cellular uptake is influenced by multiple factors, namely, size, shape, and surface charge of NPs, as well as their surface functionalization. In the current study, classification-based ML models (i.e., Bayesian classification, random forest, support vector classifier, and linear discriminant analysis) have been developed to identify the features/fingerprints that significantly contribute to the cellular uptake of ENMOs in multiple cell types, including pancreatic cancer cells (PaCa2), human endothelial cells (HUVEC), and human macrophage cells (U937). The best models have been identified for each cell type and analyzed to detect the structural fingerprints/features governing the cellular uptake of ENMOs. The study will direct scientists in the design of ENMOs of higher cellular uptake efficiency for better therapeutic response.","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":"15 ","pages":"909-924"},"PeriodicalIF":2.6,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11285082/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141791792","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Facile synthesis of Fe-based metal-organic frameworks from Fe₂O₃ nanoparticles and their application for CO₂/N₂ separation. 从 Fe2O3 纳米颗粒轻松合成铁基金属有机框架及其在 CO2/N2 分离中的应用。

IF 2.6 4区材料科学

Beilstein Journal of Nanotechnology Pub Date : 2024-07-19 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.74

Van Nhieu Le, Hoai Duc Tran, Minh Tien Nguyen, Hai Bang Truong, Toan Minh Pham, Jinsoo Kim

{"title":"Facile synthesis of Fe-based metal-organic frameworks from Fe2O3 nanoparticles and their application for CO2/N2 separation.","authors":"Van Nhieu Le, Hoai Duc Tran, Minh Tien Nguyen, Hai Bang Truong, Toan Minh Pham, Jinsoo Kim","doi":"10.3762/bjnano.15.74","DOIUrl":"10.3762/bjnano.15.74","url":null,"abstract":"A facile approach was employed to fabricate MIL-100(Fe) materials from Fe2O3 nanoparticles through a conventional hydrothermal reaction without the presence of HF and HNO3. Effects of trimesic acid content in the reaction system on the quality and CO2/N2 separation performance of the as-prepared MIL-100(Fe) samples were investigated. Using 1.80 g of trimesic acid in the reaction system yielded the sample M-100Fe@Fe2O3#1.80, which proved to be the optimal sample. This choice struck a balance between the amount of required trimesic acid and the quality of the resulting material, resulting in a high yield of 81% and an impressive BET surface area of 1365.4 m2·g-1. At 25 °C and 1 bar, M-100Fe@Fe2O3#1.80 showed a CO2 adsorption capacity of 1.10 mmol·g-1 and an IAST-predicted CO2/N2 selectivity of 18, outperforming conventional adsorbents in CO2/N2 separation. Importantly, this route opens a new approach to utilizing Fe2O3-based waste materials from the iron and steel industry in manufacturing Fe-based MIL-100 materials.","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":"15 ","pages":"897-908"},"PeriodicalIF":2.6,"publicationDate":"2024-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11285048/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141791791","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Water-assisted purification during electron beam-induced deposition of platinum and gold. 电子束诱导铂和金沉积过程中的水辅助净化。

IF 2.6 4区材料科学

Beilstein Journal of Nanotechnology Pub Date : 2024-07-18 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.73

Cristiano Glessi, Fabian A Polman, Cornelis W Hagen

引用次数: 0

A review on the structural characterization of nanomaterials for nano-QSAR models. 综述纳米材料的结构特征以建立纳米 QSAR 模型。

IF 2.6 4区材料科学

Beilstein Journal of Nanotechnology Pub Date : 2024-07-11 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.71

Salvador Moncho, Eva Serrano-Candelas, Jesús Vicente de Julián-Ortiz, Rafael Gozalbes

{"title":"A review on the structural characterization of nanomaterials for nano-QSAR models.","authors":"Salvador Moncho, Eva Serrano-Candelas, Jesús Vicente de Julián-Ortiz, Rafael Gozalbes","doi":"10.3762/bjnano.15.71","DOIUrl":"10.3762/bjnano.15.71","url":null,"abstract":"Quantitative structure-activity relationship (QSAR) models are routinely used to predict the properties and biological activity of chemicals to direct synthetic advances, perform massive screenings, and even to register new substances according to international regulations. Currently, nanoscale QSAR (nano-QSAR) models, adapting this methodology to predict the intrinsic features of nanomaterials (NMs) and quantitatively assess their risks, are blooming. One of the challenges is the characterization of the NMs. This cannot be done with a simple SMILES representation, as for organic molecules, because their chemical structure is complex, including several layers and many inorganic materials, and their size and geometry are key features. In this review, we survey the literature for existing predictive models for NMs and discuss the variety of calculated and experimental features used to define and describe NMs. In the light of this research, we propose a classification of the descriptors including those that directly describe a component of the nanoform (core, surface, or structure) and also experimental features (related to the nanomaterial's behavior, preparation, or test conditions) that indirectly reflect its structure.","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":"15 ","pages":"854-866"},"PeriodicalIF":2.6,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11250003/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141625853","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigation on drag reduction on rotating blade surfaces with microtextures. 利用微质材料减少旋转叶片表面阻力的研究。

IF 2.6 4区材料科学

Beilstein Journal of Nanotechnology Pub Date : 2024-07-10 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.70

Qinsong Zhu, Chen Zhang, Fuhang Yu, Yan Xu

{"title":"Investigation on drag reduction on rotating blade surfaces with microtextures.","authors":"Qinsong Zhu, Chen Zhang, Fuhang Yu, Yan Xu","doi":"10.3762/bjnano.15.70","DOIUrl":"10.3762/bjnano.15.70","url":null,"abstract":"To enhance the aerodynamic performance of aero engine blades, simulations and experiments regarding microtextures to reduce the flow loss on the blade surfaces were carried out. First, based on the axisymmetric characteristics of the impeller, a new simulation method was proposed to determine the aerodynamic parameters of the blade model through the comparison of flow field characteristics and simulation results. Second, the placement position and geometrical parameters (height, width, and spacing) of microtextures with lower energy loss were determined by our simulation of microtextures on the blade surface, and the drag reduction mechanism was analyzed. Triangular ribs with a height of 0.2 mm, a width of 0.3 mm, and a spacing of 0.2 mm exhibited the best drag reduction, reducing the energy loss coefficient and drag by 1.45% and 1.31% for a single blade, respectively. Finally, the blades with the optimal microtexture parameters were tested in the wind tunnel. The experimental results showed that the microtexture decreased energy loss by 3.7% for a single blade under 57° angle of attack and 136.24 m/s, which was favorable regarding the drag reduction performance of the impeller with 45 blades.","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":"15 ","pages":"833-853"},"PeriodicalIF":2.6,"publicationDate":"2024-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11252563/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141632553","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

When nanomedicines meet tropical diseases. 当纳米药物遇上热带疾病。

IF 2.6 4区材料科学

Beilstein Journal of Nanotechnology Pub Date : 2024-07-08 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.69

Eder Lilia Romero, Katrien Van Bocxlaer, Fabio Rocha Formiga

引用次数: 0

Intermixing of MoS₂ and WS₂ photocatalysts toward methylene blue photodegradation. 将 MoS2 和 WS2 光催化剂混合用于亚甲基蓝的光降解。

IF 2.6 4区材料科学

Beilstein Journal of Nanotechnology Pub Date : 2024-07-05 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.68

Maryam Al Qaydi, Nitul S Rajput, Michael Lejeune, Abdellatif Bouchalkha, Mimoun El Marssi, Steevy Cordette, Chaouki Kasmi, Mustapha Jouiad

{"title":"Intermixing of MoS2 and WS2 photocatalysts toward methylene blue photodegradation.","authors":"Maryam Al Qaydi, Nitul S Rajput, Michael Lejeune, Abdellatif Bouchalkha, Mimoun El Marssi, Steevy Cordette, Chaouki Kasmi, Mustapha Jouiad","doi":"10.3762/bjnano.15.68","DOIUrl":"10.3762/bjnano.15.68","url":null,"abstract":"Visible-light-driven photocatalysis using layered materials has garnered increasing attention regarding the degradation of organic dyes. Herein, transition-metal dichalcogenides MoS2 and WS2 prepared by chemical vapor deposition as well as their intermixing are evaluated for photodegradation (PD) of methylene blue under solar simulator irradiation. Our findings revealed that WS2 exhibited the highest PD efficiency of 67.6% and achieved an impressive PD rate constant of 6.1 × 10-3 min-1. Conversely, MoS2 displayed a somewhat lower PD performance of 43.5% but demonstrated remarkable stability. The intriguing result of this study relies on the synergetic effect observed when both MoS2 and WS2 are combined in a ratio of 20% of MoS2 and 80% of WS2. This precise blend resulted in an optimized PD efficiency and exceptional stability reaching 97% upon several cycles. This finding underscores the advantageous outcomes of intermixing WS2 and MoS2, shedding light on the development of an efficient and enduring photocatalyst for visible-light-driven photodegradation of methylene blue.","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":"15 ","pages":"817-829"},"PeriodicalIF":2.6,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11228617/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141557906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis of silver-palladium Janus nanoparticles using co-sputtering of independent sources: experimental and theorical study. 利用独立来源的共溅射合成银钯 Janus 纳米粒子：实验和理论研究。

IF 2.6 4区材料科学

Beilstein Journal of Nanotechnology Pub Date : 2024-07-04 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.67

Maria J Martínez-Carreón, Francisco Solís-Pomar, Abel Fundora, Claudio D Gutiérrez-Lazos, Sergio Mejía-Rosales, Hector N Fernández-Escamilla, Jonathan Guerrero-Sánchez, Manuel F Meléndrez, Eduardo Pérez-Tijerina

{"title":"Synthesis of silver-palladium Janus nanoparticles using co-sputtering of independent sources: experimental and theorical study.","authors":"Maria J Martínez-Carreón, Francisco Solís-Pomar, Abel Fundora, Claudio D Gutiérrez-Lazos, Sergio Mejía-Rosales, Hector N Fernández-Escamilla, Jonathan Guerrero-Sánchez, Manuel F Meléndrez, Eduardo Pérez-Tijerina","doi":"10.3762/bjnano.15.67","DOIUrl":"10.3762/bjnano.15.67","url":null,"abstract":"Janus-type nanoparticles are important because of their ability to combine distinct properties and functionalities in a single particle, making them extremely versatile and valuable in various scientific, technological, and industrial applications. In this work, bimetallic silver-palladium Janus nanoparticles were obtained for the first time using the inert gas condensation technique. In order to achieve this, an original synthesis equipment built by Mantis Ltd. was modified by the inclusion of an additional magnetron in a second chamber, which allowed us to use two monometallic targets to sputter the two metals independently. With this arrangement, we could find appropriate settings at room temperature to promote the synthesis of bimetallic Janus nanoparticles. The structural properties of the resulting nanoparticles were investigated by transmission electron microscopy (TEM), and the chemical composition was analyzed by TEM energy dispersive spectroscopy (TEM-EDS), which, together with structural analysis, confirmed the presence of Janus-type nanostructures. Results of molecular dynamics and TEM simulations show that the differences between the crystalline structures of the Pd and Ag regions observed in the TEM micrographs can be explained by small mismatches in the orientations of the two regions of the particle. A density functional theory structural aims to understand the atomic arrangement at the interface of the Janus particle.","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":"15 ","pages":"808-816"},"PeriodicalIF":2.6,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11228614/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141557907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electron-induced ligand loss from iron tetracarbonyl methyl acrylate. 四羰基丙烯酸甲酯铁的电子诱导配体流失。

IF 2.6 4区材料科学

Beilstein Journal of Nanotechnology Pub Date : 2024-07-03 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.66

Hlib Lyshchuk, Atul Chaudhary, Thomas F M Luxford, Miloš Ranković, Jaroslav Kočišek, Juraj Fedor, Lisa McElwee-White, Pamir Nag

{"title":"Electron-induced ligand loss from iron tetracarbonyl methyl acrylate.","authors":"Hlib Lyshchuk, Atul Chaudhary, Thomas F M Luxford, Miloš Ranković, Jaroslav Kočišek, Juraj Fedor, Lisa McElwee-White, Pamir Nag","doi":"10.3762/bjnano.15.66","DOIUrl":"10.3762/bjnano.15.66","url":null,"abstract":"We probe the separation of ligands from iron tetracarbonyl methyl acrylate (Fe(CO)4(C4H6O2) or Fe(CO)4MA) induced by the interaction with free electrons. The motivation comes from the possible use of this molecule as a nanofabrication precursor and from the corresponding need to understand its elementary reactions fundamental to the electron-induced deposition. We utilize two complementary electron collision setups and support the interpretation of data by quantum chemical calculations. This way, both the dissociative ionization and dissociative electron attachment fragmentation channels are characterized. Considerable differences in the degree of precursor fragmentation in these two channels are observed. Interesting differences also appear when this precursor is compared to structurally similar iron pentacarbonyl. The present findings shed light on the recent electron-induced chemistry of Fe(CO)4MA on a surface under ultrahigh vacuum.","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":"15 ","pages":"797-807"},"PeriodicalIF":2.6,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11228821/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141557903","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0