Applied Surface Science最新文献

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Construction of ZnO/MnO2 heterostructure for enhanced ammonia sensitive performances at room temperature ZnO/MnO2异质结构的构建提高了室温下氨敏感性能
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-04-26 DOI: 10.1016/j.apsusc.2025.163362
Aerzigu Xukeer, Jin Li
{"title":"Construction of ZnO/MnO2 heterostructure for enhanced ammonia sensitive performances at room temperature","authors":"Aerzigu Xukeer, Jin Li","doi":"10.1016/j.apsusc.2025.163362","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163362","url":null,"abstract":"ZnO/MnO<sub>2</sub> nanostructures, including nanosheets and nanotubes, were synthesized by hydrothermal and annealing method. The carefully designed ZnO/MnO<sub>2</sub> heterostructure significantly enhances ammonia gas sensing performance at room temperature (RT). By integrating heterojunction formation with structural optimization, this approach facilitates faster charge carrier transport and increases the surface area compared to pure ZnO. The incorporation of nanosheet- and nanotube-structured ZnO/MnO<sub>2</sub> heterojunctions leads to a substantial reduction in response/recovery time, which decrease to 6 s and 3 s, accordingly. Furthermore, first-principles calculations are employed to elucidate the potential sensing mechanism by analyzing the electronic density of states, electrostatic potential, charge transfer, population analysis, and adsorption energy between the sensing materials and ammonia molecules.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"8 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877954","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effects of pressure on friction characteristics of montmorillonite nanopores with various interlayer cations and surface charges 压力对不同层间阳离子和表面电荷蒙脱土纳米孔摩擦特性的影响
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-04-26 DOI: 10.1016/j.apsusc.2025.163382
Jingyu Wan, Yafan Yang, Denvid Lau, Xiangyu Shang
{"title":"Effects of pressure on friction characteristics of montmorillonite nanopores with various interlayer cations and surface charges","authors":"Jingyu Wan, Yafan Yang, Denvid Lau, Xiangyu Shang","doi":"10.1016/j.apsusc.2025.163382","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163382","url":null,"abstract":"Friction characteristics are critical mechanical properties of clay, playing a pivotal role in the structural stability of cohesive soils. In this study, molecular dynamics simulations were employed to investigate the shear behavior of undrained montmorillonite (MMT) nanopores with varying surface charges and interlayer cations (Na<sup>+</sup>, K<sup>+</sup>, Ca<sup>2+</sup>), subjected to different normal loads and sliding velocities. Consistent with previous findings, our results confirm that shear stress increases with normal load. However, the normal load-shear stress curves reveal two distinct linear regions, indicating segmented friction behavior. Remarkably, the friction coefficient declines sharply beyond a critical pressure point, ranging from 5 to 7.5 GPa, while cohesion follows an inverse trend. The elevated friction coefficient at lower pressures is attributed to the enhanced formation of hydrogen bonds and concomitant changes in density distribution. Furthermore, shear strength was observed to increase with sliding velocities, normal loads, and surface charges, with Na-MMT exhibiting superior shear strength compared to K-MMT and Ca-MMT. Interestingly, the friction coefficient shows a slight decrease with increasing surface charge, while ion type exerts a minimal effect. In contrast, cohesion is predominantly influenced by surface charge and remains largely unaffected by ion type, except under extreme pressures and velocities.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"33 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877958","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of alpha Olefins as additives on the friction performance of a-C/PAO composite systems under variable load conditions α -烯烃对变载荷条件下a-C/PAO复合材料摩擦性能的影响
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-04-26 DOI: 10.1016/j.apsusc.2025.163383
Jiahao Dong, Naizhou Du, Xubing Wei, Xiang Ji, Xuanru Ren, Peng Guo, Rende Chen, Jie Wu, Lei Wang, Haibin He, Kwang-Ryeol Lee, Aiying Wang, Xiaowei Li
{"title":"Effect of alpha Olefins as additives on the friction performance of a-C/PAO composite systems under variable load conditions","authors":"Jiahao Dong, Naizhou Du, Xubing Wei, Xiang Ji, Xuanru Ren, Peng Guo, Rende Chen, Jie Wu, Lei Wang, Haibin He, Kwang-Ryeol Lee, Aiying Wang, Xiaowei Li","doi":"10.1016/j.apsusc.2025.163383","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163383","url":null,"abstract":"The tribological performance of amorphous carbon (a-C) and PAO oil composites is critical for mechanical system. However, the impact of unsaturated AO molecules in PAO oil on the a-C/PAO system under variable loads complicating experimental characterization and understanding of friction mechanisms. Herein, reactive molecular dynamics simulations were employed to systematically examine the influence of AO molecules on the friction behavior of a-C/PAO composite systems under variable load conditions. Results reveal distinct pressure-dependent mechanisms governing the tribological behavior, highlighting the interplay between hydrodynamic lubrication and interfacial passivation. At low contact pressure, friction behavior is primarily governed by hydrodynamic lubrication, where an increase in AO chain length reduces lubricant mobility. Upon increasing contact pressure to 50 GPa, the friction interface transitions to a regime dominated by the competitive interplay between hydrocarbon passivation and C–C bond formation, but the degree of interfacial passivation induced by AO molecules results in variations in friction performance. As pressure further reverts to 5 from 50 GPa, the fracture of long-chain AO molecules into shorter fragments weakens the difference in interfacial structures between systems. These results deepen the understanding of friction mechanisms involving AO molecules in a-C/PAO systems and provide theoretical guidance for designing high-performance lubrication systems.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"31 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877889","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Unraveling mechanical and electronic attributes of MN4 (M= Be, Mg, Zn, Cd) monolayers with anisotropic Dirac cone and their excellent supercapacitive performances 揭示具有各向异性狄拉克锥的MN4 (M= Be, Mg, Zn, Cd)单层膜的力学和电子特性及其优异的超电容性能
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-04-26 DOI: 10.1016/j.apsusc.2025.163250
Krishnanshu Basak, Arka Bandyopadhyay, Debnarayan Jana
{"title":"Unraveling mechanical and electronic attributes of MN4 (M= Be, Mg, Zn, Cd) monolayers with anisotropic Dirac cone and their excellent supercapacitive performances","authors":"Krishnanshu Basak, Arka Bandyopadhyay, Debnarayan Jana","doi":"10.1016/j.apsusc.2025.163250","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163250","url":null,"abstract":"The recent experimental realization of &lt;span&gt;&lt;span style=\"\"&gt;&lt;math&gt;&lt;mrow is=\"true\"&gt;&lt;mi is=\"true\"&gt;B&lt;/mi&gt;&lt;mi is=\"true\"&gt;e&lt;/mi&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;mi is=\"true\"&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow is=\"true\"&gt;&lt;mn is=\"true\"&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;&lt;span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"&gt;&lt;svg focusable=\"false\" height=\"2.322ex\" role=\"img\" style=\"vertical-align: -0.549ex;\" viewbox=\"0 -763.5 2483.4 999.8\" width=\"5.768ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"&gt;&lt;g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"&gt;&lt;g is=\"true\"&gt;&lt;g is=\"true\"&gt;&lt;use xlink:href=\"#MJMATHI-42\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;g is=\"true\" transform=\"translate(759,0)\"&gt;&lt;use xlink:href=\"#MJMATHI-65\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;g is=\"true\" transform=\"translate(1226,0)\"&gt;&lt;g is=\"true\"&gt;&lt;g is=\"true\"&gt;&lt;use xlink:href=\"#MJMATHI-4E\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;/g&gt;&lt;g is=\"true\" transform=\"translate(803,-150)\"&gt;&lt;g is=\"true\"&gt;&lt;use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-34\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/svg&gt;&lt;/span&gt;&lt;script type=\"math/mml\"&gt;&lt;math&gt;&lt;mrow is=\"true\"&gt;&lt;mi is=\"true\"&gt;B&lt;/mi&gt;&lt;mi is=\"true\"&gt;e&lt;/mi&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;mi is=\"true\"&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow is=\"true\"&gt;&lt;mn is=\"true\"&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/script&gt;&lt;/span&gt; monolayer, beryllonitrene (Phys. Rev. Lett. 126(2021), 175501), has unveiled a novel group of nitrogen-rich 2D materials, namely &lt;span&gt;&lt;span style=\"\"&gt;&lt;math&gt;&lt;mrow is=\"true\"&gt;&lt;mi is=\"true\"&gt;M&lt;/mi&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;mi is=\"true\"&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow is=\"true\"&gt;&lt;mn is=\"true\"&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;&lt;span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"&gt;&lt;svg focusable=\"false\" height=\"2.322ex\" role=\"img\" style=\"vertical-align: -0.549ex;\" viewbox=\"0 -763.5 2308.9 999.8\" width=\"5.363ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"&gt;&lt;g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"&gt;&lt;g is=\"true\"&gt;&lt;g is=\"true\"&gt;&lt;use xlink:href=\"#MJMATHI-4D\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;g is=\"true\" transform=\"translate(1051,0)\"&gt;&lt;g is=\"true\"&gt;&lt;g is=\"true\"&gt;&lt;use xlink:href=\"#MJMATHI-4E\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;/g&gt;&lt;g is=\"true\" transform=\"translate(803,-150)\"&gt;&lt;g is=\"true\"&gt;&lt;use transform=\"scale(0.707)\" xlink:href=\"#MJMAIN-34\"&gt;&lt;/use&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/g&gt;&lt;/svg&gt;&lt;/span&gt;&lt;script type=\"math/mml\"&gt;&lt;math&gt;&lt;mrow is=\"true\"&gt;&lt;mi is=\"true\"&gt;M&lt;/mi&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;mi is=\"true\"&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow is=\"true\"&gt;&lt;mn is=\"true\"&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/script&gt;&lt;/span&gt; (M = Be, Mg, Zn, Cd). In this present work, we theoretically explore the anisotropic mechanical and electronic responses of all systems based on the first principles calculations. Among the structures, &lt;span&gt;&lt;span style=\"\"&gt;&lt;math&gt;&lt;mrow is=\"true\"&gt;&lt;mi is=\"true\"&gt;B&lt;/mi&gt;&lt;mi is=\"true\"&gt;e&lt;/mi&gt;&lt;msub is=\"true\"&gt;&lt;mrow is=\"true\"&gt;&lt;mi is=\"true\"&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow is=\"true\"&gt;&lt;mn is=\"true\"&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;&lt;span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"&gt;&lt;svg focusable=\"false\" height=\"2.322ex\" role=\"img\" style=\"vertical-align: -0.549ex;\" viewbox=\"0 -","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"77 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877949","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Modulation of the chemical mechanical polishing performance of core-shell SnO2@CeO2 abrasives via the shape change 核壳磨料形状变化对化学机械抛光性能的影响SnO2@CeO2
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-04-26 DOI: 10.1016/j.apsusc.2025.163378
Ruiting Zheng, Jingwei Zhu, Liangmao Jin, Zhiqiang Cao, Chong Zhang, Gaorong Han, Yong Liu
{"title":"Modulation of the chemical mechanical polishing performance of core-shell SnO2@CeO2 abrasives via the shape change","authors":"Ruiting Zheng, Jingwei Zhu, Liangmao Jin, Zhiqiang Cao, Chong Zhang, Gaorong Han, Yong Liu","doi":"10.1016/j.apsusc.2025.163378","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163378","url":null,"abstract":"The particle shape of abrasives used in chemical mechanical polishing (CMP) directly influences the polishing performance and surface quality. Here, a shape-modulation strategy is experimentally proposed for the first time to trade-off the material removal rate (MRR) and surface roughness (Ra), in which the core-shell structure SnO<sub>2</sub>@CeO<sub>2</sub> abrasives were synthesized via a facile two-step wet-chemical method and the shape gradually transformed from sharp octahedron to smooth ellipsoid by changing the shell amount. Due to the combination of the higher hardness of the SnO<sub>2</sub> core and the chemical tooth effect of CeO<sub>2</sub>, MRR is increased by 44.59 %–116.21 %, and Ra is reduced by 30.64 %–44.92 % compared to commercial CeO<sub>2</sub> abrasives. The highest polishing efficiency (MRR = 533.33 nm/min) and the most remarkable flattening ability (Ra = 0.293 nm) were achieved during the polishing of TFT-LCD glass, indicating potential applications of such novel abrasive system and further confirming the key role of abrasive particle shape and geometry on the performance of CMP.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"17 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Methane oxidation with low Pt2+ catalyst: High activity and stability against SO2, NO, and H2O poisoning 低Pt2+催化剂氧化甲烷:对SO2, NO和H2O中毒具有高活性和稳定性
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-04-26 DOI: 10.1016/j.apsusc.2025.163384
Fer Rosales, Grisel Corro, Fortino Bañuelos, Paulina Arellanes, Octavio Olivares-Xometl, Umapada Pal
{"title":"Methane oxidation with low Pt2+ catalyst: High activity and stability against SO2, NO, and H2O poisoning","authors":"Fer Rosales, Grisel Corro, Fortino Bañuelos, Paulina Arellanes, Octavio Olivares-Xometl, Umapada Pal","doi":"10.1016/j.apsusc.2025.163384","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163384","url":null,"abstract":"We report the exceptional performance of a Pt/ZrO<sub>2</sub> catalyst with highly dispersed 3.5 at % Pt loading for methane oxidation, demonstrating its outstanding resistance to deactivation in lean exhaust conditions, which contain SO<sub>2</sub>, NO, and H<sub>2</sub>O. X-ray photoelectron spectroscopy analysis of fresh and used catalysts revealed the presence of Pt<sup>2+</sup>and Pt<sup>4+</sup> surface species, even under these challenging reaction conditions. A mechanism is proposed to highlight the synergistic roles of Pt<sup>4+</sup> species for oxygen adsorption and the Pt<sup>2+</sup>/ZrO<sub>2</sub> interface for methane adsorption, reducing the competition between the reacting molecules. Despite an increase in apparent activation energy in the presence of SO<sub>2</sub>, NO, or H<sub>2</sub>O, the catalyst retains its high activity. The high methane oxidation activity of the catalyst is attributed to the higher velocity of methane molecules, resulting in more frequent and successful collisions at Pt<sup>2+</sup>/ZrO<sub>2</sub> interface compared to other species in engine exhaust. The enhanced stability of the Pt<sup>2+</sup> surface species is further explained by the energy-level alignment at the Pt<sup>2+</sup>/ZrO<sub>2</sub> interface, which is driven by the interfacial work function values of Pt<sup>2+</sup> surface species and n-type semiconductor ZrO<sub>2</sub>. The results highlight the potential of Pt/ZrO<sub>2</sub> catalyst for efficient and stable methane oxidation in real-world exhaust environments of natural gas engines.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"41 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Utilization of cetylpyridine bromide as an efficient collector for flotation separation of quartz from gypsum 溴化十六烷基吡啶作为高效捕收剂浮选分离石英和石膏
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-04-25 DOI: 10.1016/j.apsusc.2025.163354
Hongqiang Li, Na Wei, Dongsheng He, Yingxin Chen, Richard M. Kasomo, Qian Chen, Xiaoqing Weng, Shaoxian Song
{"title":"Utilization of cetylpyridine bromide as an efficient collector for flotation separation of quartz from gypsum","authors":"Hongqiang Li, Na Wei, Dongsheng He, Yingxin Chen, Richard M. Kasomo, Qian Chen, Xiaoqing Weng, Shaoxian Song","doi":"10.1016/j.apsusc.2025.163354","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163354","url":null,"abstract":"The purification of phosphogypsum (PG) is crucial for its resource utilization and environmental protection. The flotation method is commonly used to remove quartz impurity from PG. In this study, a new collector, cetylpyridinium bromide (CPB), was exploited for the flotation separation of quartz and gypsum. Micro-flotation experiments were carried out to investigate the flotation performance of quartz and gypsum treated with CPB. The collection mechanism of CPB on quartz was examined through Zeta potential, contact angle, Fourier Transform Infrared Spectrometer (FTIR) and X-ray Photoelectron Spectroscopy (XPS) analysis. The flotation results showed that CPB exhibited strong collecting ability and selectivity for quartz from gypsum across a wide pH range of 1.8 to 9.5. Further analysis suggested that the interaction mechanism between CPB and quartz involved hydrogen bond and electrostatic attraction. Through these two interactions, CPB was adsorbed onto the surface of quartz, enhancing the hydrophobicity and floatability of quartz, thus enabling the selective separation of gypsum and quartz. Overall, this research provides a valuable insight for phosphorus chemical industry to achieve the purification of PG.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"8 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876354","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Molecular dynamics study of the shear behavior of concrete cold joints under different environmental conditions 不同环境条件下混凝土冷缝剪切性能的分子动力学研究
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-04-25 DOI: 10.1016/j.apsusc.2025.163346
Huiping Huang, Mengxiang Fang, Tong Guo, Silang Yongzong, Yongming Tu, Chao Wang, Gabriel Sas
{"title":"Molecular dynamics study of the shear behavior of concrete cold joints under different environmental conditions","authors":"Huiping Huang, Mengxiang Fang, Tong Guo, Silang Yongzong, Yongming Tu, Chao Wang, Gabriel Sas","doi":"10.1016/j.apsusc.2025.163346","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163346","url":null,"abstract":"A concrete cold joint is a weak interface within structures, and is prone to shear failure. Additionally, as potential pathways for external corrosive ions, cold joints experience interface performance degradation in adverse environments, thereby compromising the durability of the structure. This study utilized molecular dynamics simulations to analyze the shear behavior of two models of concrete joints: the CSH-a-to-CSH-b (CC) interface and the CSH-a-to-SiO<sub>2</sub> (CS) interface, based on calcium silicate hydrate (CSH) and silicon dioxide (SiO<sub>2</sub>) as substrates. The study foundthat the penetration ranges of water into the CC and CS interfaces were 17Å and 10.5Å, respectively. When exposed to a saline-alkaline environment, the penetration range of Na<sub>2</sub>SO<sub>4</sub> solution increased by 26.5 % and 185.7 % compared to the humid environment for the CC and CS interfaces, respectively. Furthermore, corrosive environments influence ion interactions at the interfaces, leading substrate ions to react preferentially with ions in the corrosive solution, thereby weakening the bonding performance of the interface. The effect of environmental conditions on the shear performance of joints is ranked as follows: saline-alkaline &gt; humid &gt; dry. Under dry conditions, the maximum shear stress of the CC and CS interfaces reached 0.93 GPa and 0.88 GPa, respectively. In humid and saline-alkaline environments, the maximum shear stress of the CC interface decreased by 38.7 % and 68.8 %, while that of the CS interface decreased by 31.8 % and 62.5 %. Additionally, shear failure at the interfaces consistently occurred in regions where bond energy was unstable. This study provides atomic-scale insights into the degradation of concrete cold joints, guiding material design and interface optimization in engineering practice.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"49 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872349","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Al2O3/LaPxOy/MoS2 composite coating with better wear and corrosion resistance in-situ prepared by micro-arc oxidation 原位微弧氧化法制备了具有较好耐磨损和耐腐蚀性能的Al2O3/LaPxOy/MoS2复合镀层
IF 6.3 2区 材料科学
Applied Surface Science Pub Date : 2025-04-25 DOI: 10.1016/j.apsusc.2025.163353
Q. Li, J. Shang, T. Liu
{"title":"Al2O3/LaPxOy/MoS2 composite coating with better wear and corrosion resistance in-situ prepared by micro-arc oxidation","authors":"Q. Li,&nbsp;J. Shang,&nbsp;T. Liu","doi":"10.1016/j.apsusc.2025.163353","DOIUrl":"10.1016/j.apsusc.2025.163353","url":null,"abstract":"<div><div>The Al<sub>2</sub>O<sub>3</sub> (P1), Al<sub>2</sub>O<sub>3</sub>/MoS<sub>2</sub> (P2) and Al<sub>2</sub>O<sub>3</sub>/LaP<sub>x</sub>O<sub>y</sub>/MoS<sub>2</sub> (P3) composite coatings were prepared in-situ on the 6082-T6 alloy surface by micro-arc oxidation. Compared with the P1 coating, the P3 coating presented in the electrolyte containing Na<sub>2</sub>S, Na<sub>2</sub>MoO<sub>4</sub>, La (Ac)<sub>3</sub> solution had a 67.60 % increase in hardness, a 42 % reduction in average friction coefficient, the lowest self-corrosion current (4.81 × 10<sup>−8</sup> A·cm<sup>−2</sup>), the highest self-corrosion potential (−0.36 V), and the lowest mass loss rate after natural immersion corrosion (3.48 × 10<sup>−2</sup> %). The La<sup>3+</sup> in electrolyte can MoS<sub>2</sub> phases are in-situ formed at Al<sub>2</sub>O<sub>3</sub>/Al<sub>2</sub>O<sub>3</sub> interface and the density of the coating is improved. The LaP<sub>x</sub>O<sub>y</sub> and MoS<sub>2</sub> phases presented a lubricating and inhibiting effect because of their coating structure. This work aims to in-situ prepare a composite coating by micro-arc oxidation with good wear and corrosion resistance simultaneously.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"702 ","pages":"Article 163353"},"PeriodicalIF":6.3,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876356","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Epitaxial lateral overgrowth of single crystalline diamond with different periodic trench geometries fabricated by laser cutting 激光切割制备具有不同周期沟槽几何形状的单晶金刚石外延横向过度生长
IF 6.7 2区 材料科学
Applied Surface Science Pub Date : 2025-04-25 DOI: 10.1016/j.apsusc.2025.163361
Dongshuai Li, Xianyi Lv, Qiliang Wang, Xiaolei Wu, Guannan Sun, Shuai Xu, Shaoxing Han, Liuan Li, Guangtian Zou
{"title":"Epitaxial lateral overgrowth of single crystalline diamond with different periodic trench geometries fabricated by laser cutting","authors":"Dongshuai Li, Xianyi Lv, Qiliang Wang, Xiaolei Wu, Guannan Sun, Shuai Xu, Shaoxing Han, Liuan Li, Guangtian Zou","doi":"10.1016/j.apsusc.2025.163361","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.163361","url":null,"abstract":"In this study, the effects of trench geometries on the epitaxial lateral overgrowth (ELO) of diamond are investigated using laser cutting. Compared with the periodic semicircular and square trenches, the triangle trench with a proper width is beneficial to suppress the edge effect and provide a uniform temperature distribution. After optimizing the growth parameters, obvious step-flow mode without non-epitaxy defects is realized on the coalescence region above the trench. The relatively higher lateral growth rate results in the intersection and annihilation of dislocations in the coalescence regions, which can effectively decrease the dislocation density. Finally, a two-step ELO process with complementary triangular trench to further decrease the dislocation density and enhance the growth quality of single crystal diamond.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"21 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876185","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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