CrN coatings were successfully deposited on 316 L stainless steel and silicon wafer using the cathodic arc technique by tailoring the bias voltage. The effect of bias voltage on the microstructure and corrosion resistance of CrN coatings in simulated proton exchange membrane fuel cell (PEMFC) environment was investigated in detail. The results show that the improved bias voltage favors the increased coating compactness with decreased columnar structure and surface roughness. Meanwhile, high bias voltage contributes to the growth of CrN along (220) with low strain energy. However, high bias voltage leads to decreased adhesion strength caused by increased residual stress. CrN-150 performs the highest Ecorr (0.104 VSCE), lowest icorr (3.37 × 10−8 A cm−2), and largest Rct (1.13 × 107 Ω cm2), demonstrating that CrN-150 has superior corrosion resistance compared to others in both kinetics and thermodynamics. This is simultaneously triggered by the reduced penetration path and decreased contact region of the electrolyte owing to the high density and smooth surface of CrN-150. Moreover, CrN-150 possesses the lowest interfacial contact resistance (ICR) before and after PSP tests, which is attributed to the special structure and excellent corrosion resistance. In conclusion, this work provides a reference for the performance regulation of CrN coating applied to bipolar plates of PEMFC.
{"title":"Investigating the effect of bias voltage on corrosion resistance and conductivity of CrN coating in simulated PEMFC environment","authors":"Qiang Chen , Qiong Zhou , Dandan Liang , Ergeng Zhang , Mingxu Su","doi":"10.1016/j.matchemphys.2025.131953","DOIUrl":"10.1016/j.matchemphys.2025.131953","url":null,"abstract":"<div><div>CrN coatings were successfully deposited on 316 L stainless steel and silicon wafer using the cathodic arc technique by tailoring the bias voltage. The effect of bias voltage on the microstructure and corrosion resistance of CrN coatings in simulated proton exchange membrane fuel cell (PEMFC) environment was investigated in detail. The results show that the improved bias voltage favors the increased coating compactness with decreased columnar structure and surface roughness. Meanwhile, high bias voltage contributes to the growth of CrN along (220) with low strain energy. However, high bias voltage leads to decreased adhesion strength caused by increased residual stress. CrN-150 performs the highest <em>E</em><sub><em>corr</em></sub> (0.104 V<sub>SCE</sub>), lowest <em>i</em><sub><em>corr</em></sub> (3.37 × 10<sup>−8</sup> A cm<sup>−2</sup>), and largest <em>R</em><sub><em>ct</em></sub> (1.13 × 10<sup>7</sup> Ω cm<sup>2</sup>), demonstrating that CrN-150 has superior corrosion resistance compared to others in both kinetics and thermodynamics. This is simultaneously triggered by the reduced penetration path and decreased contact region of the electrolyte owing to the high density and smooth surface of CrN-150. Moreover, CrN-150 possesses the lowest interfacial contact resistance (ICR) before and after PSP tests, which is attributed to the special structure and excellent corrosion resistance. In conclusion, this work provides a reference for the performance regulation of CrN coating applied to bipolar plates of PEMFC.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131953"},"PeriodicalIF":4.7,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787354","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-16DOI: 10.1016/j.matchemphys.2025.131957
Sepehr Behrouzifar , Sina Ebrahimi , Iman Mirafzal , Amir Shamloo, Fazel Mehraein
Targeted drug delivery to abnormal vascular regions such as abdominal aortic aneurysms (AAA) remains a clinical challenge. In this study, we explore the potential use of quantum dot (QD) particles as drug carriers for occluded or stenosed vascular regions. Quantum dot (QD) particles are utilized to deliver drugs to occluded or stenosed vascular regions of the vessels. Recently, studies have highlighted the importance of the physical and optical attributes of quantum dot particles in drug delivery. These properties enable real-time imaging, tracking, and monitoring of nanoparticle trajectories during vascular drug delivery. Moreover, their tunable size allows for optimal drug loading and precise navigation toward targeted vascular sites, improving localization and minimizing systemic side effects. In this research, we investigate quantum dots' physical properties and utilize magnetic force to enhance the efficiency of drug delivery procedures. We evaluate the performance of QDs by quantifying their interactions with the AAA luminal surface and tracking the proportion of particles exiting the aortic bifurcation downstream. Our results indicate that particle–wall interactions increase significantly with higher particle density and diameter, and are further enhanced under magnetic fields—with a maximum increase of 149 % in wall collisions for 160 nm QDs at 5810 kg/m3. Finally, a predictive application based on the Random Forest algorithm—achieving a mean absolute error of only 1.54 %—was developed to estimate QD-target interaction rates based on particle size and density.
{"title":"Enhancing drug delivery efficiency on an abdominal aortic aneurysm: A study on quantum dot particle interactions and prediction using artificial Intelligence","authors":"Sepehr Behrouzifar , Sina Ebrahimi , Iman Mirafzal , Amir Shamloo, Fazel Mehraein","doi":"10.1016/j.matchemphys.2025.131957","DOIUrl":"10.1016/j.matchemphys.2025.131957","url":null,"abstract":"<div><div>Targeted drug delivery to abnormal vascular regions such as abdominal aortic aneurysms (AAA) remains a clinical challenge. In this study, we explore the potential use of quantum dot (QD) particles as drug carriers for occluded or stenosed vascular regions. Quantum dot (QD) particles are utilized to deliver drugs to occluded or stenosed vascular regions of the vessels. Recently, studies have highlighted the importance of the physical and optical attributes of quantum dot particles in drug delivery. These properties enable real-time imaging, tracking, and monitoring of nanoparticle trajectories during vascular drug delivery. Moreover, their tunable size allows for optimal drug loading and precise navigation toward targeted vascular sites, improving localization and minimizing systemic side effects. In this research, we investigate quantum dots' physical properties and utilize magnetic force to enhance the efficiency of drug delivery procedures. We evaluate the performance of QDs by quantifying their interactions with the AAA luminal surface and tracking the proportion of particles exiting the aortic bifurcation downstream. Our results indicate that particle–wall interactions increase significantly with higher particle density and diameter, and are further enhanced under magnetic fields—with a maximum increase of 149 % in wall collisions for 160 nm QDs at 5810 kg/m<sup>3</sup>. Finally, a predictive application based on the Random Forest algorithm—achieving a mean absolute error of only 1.54 %—was developed to estimate QD-target interaction rates based on particle size and density.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131957"},"PeriodicalIF":4.7,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787429","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Induction-assisted friction stir welding (IAFSW) has gained significant attention for enhancing weld quality of dissimilar materials, particularly high melting-point alloys like Inconel-steel, which are difficult to weld by conventional fusion welding due to solidification defects and thermal divergence. The present study investigates the microstructural evolution, mechanical performance and wear behavior of dissimilar Inconel 718-Stainless Steel 321 (IN718-SS321) joints fabricated using IAFSW. Two parameter sets of 300 rpm with 40 mm/min (i.e., 300/40) and 450 rpm with 70 mm/min (i.e., 450/70) are evaluated. Thermal history analysis reveals that, specifically under the 450/70 condition, the higher heat input facilitates dynamic recrystallization (DRX) and enhances plasticization. Microstructural analysis utilizing electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM) identifies ultrafine grains (UFGs) formation, dense dislocation networks and phase precipitations, including M23C6 carbides (∼55 nm), γʺ (Ni3Nb, ∼32 nm), Cr2Ni3 intermetallic (∼365 nm), and δ-phase precipitates. Fabricated welded specimen 450/70 with refined microstructure, precipitate strengthening experienced a reduced coefficient of friction (COF) of 0.395 and specific wear rate (SWR) of 3.164 × 10−13 m3/N-m. The sample demonstrates superior wear resistance, with reductions of ∼20 % COF, ∼40 % SWR compared to SS321, and ∼9 %, ∼20 % reductions, respectively, compared to IN718. Furthermore, relative to 300/40 condition, 450/70 specimen shows ∼5 % lower COF and ∼4 % lower SWR, demonstrating enhanced tribological response. These findings confirm IAFSW as a robust technique for sound, high-strength dissimilar joints with applications in aerospace, nuclear, and oil-gas sectors.
{"title":"Microstructural evolution driven tribological synergy in Inconel 718–Stainless steel 321 Heterojunctions fabricated via hybrid FSW","authors":"Rituraj Bhattacharjee , Prabhat Chand Yadav , Tejas Arandhara , Ranamay Saha , Tanmoy Medhi , Pankaj Biswas","doi":"10.1016/j.matchemphys.2025.131949","DOIUrl":"10.1016/j.matchemphys.2025.131949","url":null,"abstract":"<div><div>Induction-assisted friction stir welding (IAFSW) has gained significant attention for enhancing weld quality of dissimilar materials, particularly high melting-point alloys like Inconel-steel, which are difficult to weld by conventional fusion welding due to solidification defects and thermal divergence. The present study investigates the microstructural evolution, mechanical performance and wear behavior of dissimilar Inconel 718-Stainless Steel 321 (IN718-SS321) joints fabricated using IAFSW. Two parameter sets of 300 rpm with 40 mm/min (i.e., 300/40) and 450 rpm with 70 mm/min (i.e., 450/70) are evaluated. Thermal history analysis reveals that, specifically under the 450/70 condition, the higher heat input facilitates dynamic recrystallization (DRX) and enhances plasticization. Microstructural analysis utilizing electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM) identifies ultrafine grains (UFGs) formation, dense dislocation networks and phase precipitations, including M<sub>23</sub>C<sub>6</sub> carbides (∼55 nm), γʺ (Ni<sub>3</sub>Nb, ∼32 nm), Cr<sub>2</sub>Ni<sub>3</sub> intermetallic (∼365 nm), and δ-phase precipitates. Fabricated welded specimen 450/70 with refined microstructure, precipitate strengthening experienced a reduced coefficient of friction (COF) of 0.395 and specific wear rate (SWR) of 3.164 × 10<sup>−13</sup> m<sup>3</sup>/N-m. The sample demonstrates superior wear resistance, with reductions of ∼20 % COF, ∼40 % SWR compared to SS321, and ∼9 %, ∼20 % reductions, respectively, compared to IN718. Furthermore, relative to 300/40 condition, 450/70 specimen shows ∼5 % lower COF and ∼4 % lower SWR, demonstrating enhanced tribological response. These findings confirm IAFSW as a robust technique for sound, high-strength dissimilar joints with applications in aerospace, nuclear, and oil-gas sectors.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131949"},"PeriodicalIF":4.7,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-15DOI: 10.1016/j.matchemphys.2025.131947
H. Elmrayej , R. Sghyar , S. Aourabi , T. Ben Hadda , R. Tihmmou , R. Salghi , M. Chafiq , A. Chaouiki , M. Taleb
In this study, a series of novel N-alkylated tetrazole derivatives were synthesized via the introduction of an ethyl piperidine moiety into the tetrazole core. The alkylation reactions were carried out under phase-transfer catalysis (PTC) conditions, using tetra-n-butylammonium bromide (TBAB) as the phase-transfer catalyst and potassium carbonate as the base. Following a previously established methodology, the resulting N-alkyltetrazoles were subsequently reacted with 1-(2-chloroethyl) piperidine hydrochloride, leading to the formation of two regioisomeric families: 1,5-disubstituted and 2,5-disubstituted tetrazoles. The chemical structures of the synthesized compounds (1,5-T and 2,5-T) were confirmed through 1H and 13C nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. Additionally, a 1 M HCl environment was used to evaluate the effectiveness of the molecules in inhibiting corrosion. We combined experimental techniques like electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) with theoretical approaches like density functional theory (DFT), density functional tight binding (DFTB), molecular dynamics (MD), and POM (Petra/Osiris/Molinspiration) simulations to understand their mechanisms of action fully. The structural features that support their inhibition efficacy are highlighted by this combined methodology, which also confirms their potential as effective mixed-type corrosion inhibitors. Furthermore, DFT calculations were carried out to validate the suggested structures. This study contributes significantly to the research and development of environmental solutions by linking eco-innovation with industrial application, offering a sustainable model for anti-corrosion strategies in the metal industry.
在本研究中，通过在四唑核心中引入一个乙基哌啶片段，合成了一系列新的n -烷基化四唑衍生物。以四正丁基溴化铵（TBAB）为相转移催化剂，碳酸钾为碱，在相转移催化（PTC）条件下进行烷基化反应。根据先前建立的方法，得到的n -烷基四唑随后与1-（2-氯乙基）哌啶盐酸盐反应，形成两个区域异构体家族：1,5-二取代和2,5-二取代四唑。合成的化合物（1,5- t和2,5- t）的化学结构通过1H和13C核磁共振（NMR）谱和质谱证实。此外，在1 M HCl环境中，评估了分子的缓蚀效果。我们将电化学阻抗谱（EIS）和动电位极化（PDP）等实验技术与密度泛函理论（DFT）、密度泛函紧密结合（DFTB）、分子动力学（MD）和POM （Petra/Osiris/Molinspiration）模拟等理论方法相结合，全面了解它们的作用机制。这种组合方法强调了支持其缓蚀效果的结构特征，这也证实了它们作为有效的混合型缓蚀剂的潜力。此外，进行了DFT计算以验证所建议的结构。本研究通过将生态创新与工业应用相结合，为环境解决方案的研究和开发做出了重大贡献，为金属工业的防腐策略提供了一个可持续的模型。
{"title":"Molecular design of N-alkylated tetrazole inhibitors for steel alloy corrosion: Combined experimental, theoretical, and environmental study","authors":"H. Elmrayej , R. Sghyar , S. Aourabi , T. Ben Hadda , R. Tihmmou , R. Salghi , M. Chafiq , A. Chaouiki , M. Taleb","doi":"10.1016/j.matchemphys.2025.131947","DOIUrl":"10.1016/j.matchemphys.2025.131947","url":null,"abstract":"<div><div>In this study, a series of novel N-alkylated tetrazole derivatives were synthesized via the introduction of an ethyl piperidine moiety into the tetrazole core. The alkylation reactions were carried out under phase-transfer catalysis (PTC) conditions, using tetra-<em>n</em>-butylammonium bromide (TBAB) as the phase-transfer catalyst and potassium carbonate as the base. Following a previously established methodology, the resulting N-alkyltetrazoles were subsequently reacted with 1-(2-chloroethyl) piperidine hydrochloride, leading to the formation of two regioisomeric families: 1,5-disubstituted and 2,5-disubstituted tetrazoles. The chemical structures of the synthesized compounds (1,5-T and 2,5-T) were confirmed through <sup>1</sup>H and <sup>13</sup>C nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. Additionally, a 1 M HCl environment was used to evaluate the effectiveness of the molecules in inhibiting corrosion. We combined experimental techniques like electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) with theoretical approaches like density functional theory (DFT), density functional tight binding (DFTB), molecular dynamics (MD), and POM (Petra/Osiris/Molinspiration) simulations to understand their mechanisms of action fully. The structural features that support their inhibition efficacy are highlighted by this combined methodology, which also confirms their potential as effective mixed-type corrosion inhibitors. Furthermore, DFT calculations were carried out to validate the suggested structures. This study contributes significantly to the research and development of environmental solutions by linking eco-innovation with industrial application, offering a sustainable model for anti-corrosion strategies in the metal industry.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131947"},"PeriodicalIF":4.7,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this study, a novel B4C/SnO2 nanocomposite was synthesized via a facile wet chemical route and comprehensively evaluated for its antimicrobial, photocatalytic, and electrical properties. The 30 % SnO2-loaded B4C/SnO2 nanocomposite exhibited high photocatalytic performance under solar irradiation, achieving ∼98 % degradation of Rhodamine B dye within 60 min with an apparent rate constant (k) of 0.04067 min−1. UV–Vis analysis confirmed enhanced visible-light absorption due to interfacial charge transfer between B4C and SnO2. In addition, the B4C/SnO2 nanocomposite demonstrated significant antibacterial activity against Gram-negative bacteria with inhibition zones of 12–20 mm and showing MIC values of 300.85, 244.46, and 178.6 μg/mL against E. coli, and 235.95, 194.34, and 113.06 μg/mL against P. aeruginosa for the 10 %, 20 %, and 30 % SnO2 loadings, respectively. attributed to the generation of reactive oxygen species and direct interaction with bacterial cell walls. Electrical conductivity measurements indicated thermally activated conduction behavior, with an activation energy of 0.84 eV, confirming the high-resistivity semiconducting nature of the B4C/SnO2 composite and its potential relevance for temperature-sensitive and resistive sensing applications. The synergistic interaction between B4C and SnO2 contributes to the multifunctionality of the composite, highlighting its potential in environmental remediation, antimicrobial coatings, and electronic applications.
{"title":"Multifunctional B4C/SnO2 Nanocomposites: A study on antimicrobial activity, photocatalysis, and electrical properties","authors":"Kanika Baru , Manjot Kaur , Kajal Kumari , Nijamuddin Ansari , Atul Tiwari , Akshay Kumar , Ramovatar Meena","doi":"10.1016/j.matchemphys.2025.131942","DOIUrl":"10.1016/j.matchemphys.2025.131942","url":null,"abstract":"<div><div>In this study, a novel B<sub>4</sub>C/SnO<sub>2</sub> nanocomposite was synthesized via a facile wet chemical route and comprehensively evaluated for its antimicrobial, photocatalytic, and electrical properties. The 30 % SnO<sub>2</sub>-loaded B<sub>4</sub>C/SnO<sub>2</sub> nanocomposite exhibited high photocatalytic performance under solar irradiation, achieving ∼98 % degradation of Rhodamine B dye within 60 min with an apparent rate constant (k) of 0.04067 min<sup>−1</sup>. UV–Vis analysis confirmed enhanced visible-light absorption due to interfacial charge transfer between B<sub>4</sub>C and SnO<sub>2</sub>. In addition, the B<sub>4</sub>C/SnO<sub>2</sub> nanocomposite demonstrated significant antibacterial activity against Gram-negative bacteria with inhibition zones of 12–20 mm and showing MIC values of 300.85, 244.46, and 178.6 μg/mL against <em>E. coli</em>, and 235.95, 194.34, and 113.06 μg/mL against <em>P. aeruginosa</em> for the 10 %, 20 %, and 30 % SnO<sub>2</sub> loadings, respectively. attributed to the generation of reactive oxygen species and direct interaction with bacterial cell walls. Electrical conductivity measurements indicated thermally activated conduction behavior, with an activation energy of 0.84 eV, confirming the high-resistivity semiconducting nature of the B<sub>4</sub>C/SnO<sub>2</sub> composite and its potential relevance for temperature-sensitive and resistive sensing applications. The synergistic interaction between B<sub>4</sub>C and SnO<sub>2</sub> contributes to the multifunctionality of the composite, highlighting its potential in environmental remediation, antimicrobial coatings, and electronic applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131942"},"PeriodicalIF":4.7,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787506","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-15DOI: 10.1016/j.matchemphys.2025.131950
Qian Sun , Kang Zhang , Yiyi Xue , Zhenxing Li , Xiaonan Wang , Jie Chen
To overcome the deterioration of welding joint caused by crack defects during Cu/304 stainless steel (SS) dissimilar laser welding, a post-weld rolling technique was developed. By applying rolling immediately after welding, the bonding quality of Cu/304SS was successfully improved. In this work, continuous fiber laser was employed for lap welding of T2 Cu/304 SS, followed by the application of 1000–2000 N rolling pressure. The effects of rolling process on weld microstructure and mechanical properties were investigated. Experimental results indicated that the copper segregation at cellular grain boundaries formed copper-rich reticulated γ-Fe phases, which served as potential crack initiation sites. Due to the thermal stress, cracks propagated along grain boundaries, leading to the fracture in the weld zone of lap joints. The density and maximum length of cracks were decreased by applying 2000 N rolling force, and the maximum tensile load was increased by 33.2 %. Simulation results demonstrated the welding residual stress was decreased effectively, thereby inhibiting the crack propagation. This research provides new insights for the control of residual stress and suppression of cracks in the copper/stainless steel laser welding.
{"title":"Improving the bonding strength of copper/steel joint in the laser lap welding by applying rolling force","authors":"Qian Sun , Kang Zhang , Yiyi Xue , Zhenxing Li , Xiaonan Wang , Jie Chen","doi":"10.1016/j.matchemphys.2025.131950","DOIUrl":"10.1016/j.matchemphys.2025.131950","url":null,"abstract":"<div><div>To overcome the deterioration of welding joint caused by crack defects during Cu/304 stainless steel (SS) dissimilar laser welding, a post-weld rolling technique was developed. By applying rolling immediately after welding, the bonding quality of Cu/304SS was successfully improved. In this work, continuous fiber laser was employed for lap welding of T2 Cu/304 SS, followed by the application of 1000–2000 N rolling pressure. The effects of rolling process on weld microstructure and mechanical properties were investigated. Experimental results indicated that the copper segregation at cellular grain boundaries formed copper-rich reticulated γ-Fe phases, which served as potential crack initiation sites. Due to the thermal stress, cracks propagated along grain boundaries, leading to the fracture in the weld zone of lap joints. The density and maximum length of cracks were decreased by applying 2000 N rolling force, and the maximum tensile load was increased by 33.2 %. Simulation results demonstrated the welding residual stress was decreased effectively, thereby inhibiting the crack propagation. This research provides new insights for the control of residual stress and suppression of cracks in the copper/stainless steel laser welding.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131950"},"PeriodicalIF":4.7,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787508","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-15DOI: 10.1016/j.matchemphys.2025.131948
Hasan Guleryuz
In this study, effect of low air pressure on the thermal oxidation and wear behaviour of Ti6Al4V alloy was examined. Oxidation at 750 °C for 2 h under 1.0 × 10−5 atm created a thinner oxide scale but maintained an equivalent oxygen diffusion zone. It provided equivalent surface hardness, but, improved oxide adhesion, and wear resistance compared to oxidation at the same temperature for 2 h under 1 atm. The alloy treated under low air pressure showed wear resistance two orders of magnitude higher than oxidation performed at atmospheric pressure. Both oxidised alloys significantly outperformed untreated Ti6Al4V in sliding wear tests conducted under a 3 N load. Low air pressure oxidation offers better wear resistance while maintaining surface integrity.
{"title":"Effect of air pressure on thermal oxidation and wear behaviour of Ti6Al4V alloy","authors":"Hasan Guleryuz","doi":"10.1016/j.matchemphys.2025.131948","DOIUrl":"10.1016/j.matchemphys.2025.131948","url":null,"abstract":"<div><div>In this study, effect of low air pressure on the thermal oxidation and wear behaviour of Ti6Al4V alloy was examined. Oxidation at 750 °C for 2 h under 1.0 × 10<sup>−5</sup> atm created a thinner oxide scale but maintained an equivalent oxygen diffusion zone. It provided equivalent surface hardness, but, improved oxide adhesion, and wear resistance compared to oxidation at the same temperature for 2 h under 1 atm. The alloy treated under low air pressure showed wear resistance two orders of magnitude higher than oxidation performed at atmospheric pressure. Both oxidised alloys significantly outperformed untreated Ti6Al4V in sliding wear tests conducted under a 3 N load. Low air pressure oxidation offers better wear resistance while maintaining surface integrity.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131948"},"PeriodicalIF":4.7,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-15DOI: 10.1016/j.matchemphys.2025.131943
Prashil S. Joshi , Diksha Mahadule , Rajesh K. Khatirkar
This study employs a range of sophisticated machine learning (ML) methods to forecast the flow stress characteristics of a Mo-rich α + β titanium alloy (Ti–6Al–4Mo–1V–0.1Si, in wt%) under hot deformation conditions. True stress–strain data were experimentally gathered over a wide thermomechanical range and applied to create predictive models. Input variables comprised true strain, logarithmic strain rate, and inverse temperature. Multiple regression-based machine learning models were evaluated, such as Artificial Neural Networks (ANN), Random Forest (RF), Gradient Boosting Regressor (GBR), Support Vector Regression (SVR), Polynomial Regression (PR), XGBoost, CatBoost, and Gaussian Process Regression (GPR). XGBoost and CatBoost demonstrated enhanced precision, greatly exceeding traditional methods. SHAP (SHapley Additive exPlanations) analysis emphasized strain and the inverse temperature as key factors affecting the predicted flow stress. Residual error plots additionally confirmed the statistical strength of the tree-based models, exhibiting tightly clustered, zero-centered errors. These results were enhanced by microstructural analyses utilizing kernel average misorientation and grain orientation spread mappings acquired at various temperatures and strain rates. At decreased strain rates and lower temperatures, these values increased indicating restricted dynamic recovery and elevated geometrically necessary dislocation densities. In contrast, at higher temperatures, a decrease in misorientation values showed improved recovery and partial globularization. These findings offered a mechanistic foundation for the flow stress behavior predicted by ML. This research highlights the potential of ensemble-based ML models as dependable substitutes for conventional constitutive equations.
{"title":"A machine learning and microstructural synergy for flow stress prediction in hot-deformed Ti–6Al–4Mo–1V–0.1Si alloy","authors":"Prashil S. Joshi , Diksha Mahadule , Rajesh K. Khatirkar","doi":"10.1016/j.matchemphys.2025.131943","DOIUrl":"10.1016/j.matchemphys.2025.131943","url":null,"abstract":"<div><div>This study employs a range of sophisticated machine learning (ML) methods to forecast the flow stress characteristics of a Mo-rich α + β titanium alloy (Ti–6Al–4Mo–1V–0.1Si, in wt%) under hot deformation conditions. True stress–strain data were experimentally gathered over a wide thermomechanical range and applied to create predictive models. Input variables comprised true strain, logarithmic strain rate, and inverse temperature. Multiple regression-based machine learning models were evaluated, such as Artificial Neural Networks (ANN), Random Forest (RF), Gradient Boosting Regressor (GBR), Support Vector Regression (SVR), Polynomial Regression (PR), XGBoost, CatBoost, and Gaussian Process Regression (GPR). XGBoost and CatBoost demonstrated enhanced precision, greatly exceeding traditional methods. SHAP (SHapley Additive exPlanations) analysis emphasized strain and the inverse temperature as key factors affecting the predicted flow stress. Residual error plots additionally confirmed the statistical strength of the tree-based models, exhibiting tightly clustered, zero-centered errors. These results were enhanced by microstructural analyses utilizing kernel average misorientation and grain orientation spread mappings acquired at various temperatures and strain rates. At decreased strain rates and lower temperatures, these values increased indicating restricted dynamic recovery and elevated geometrically necessary dislocation densities. In contrast, at higher temperatures, a decrease in misorientation values showed improved recovery and partial globularization. These findings offered a mechanistic foundation for the flow stress behavior predicted by ML. This research highlights the potential of ensemble-based ML models as dependable substitutes for conventional constitutive equations.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131943"},"PeriodicalIF":4.7,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787356","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-14DOI: 10.1016/j.matchemphys.2025.131946
Supin Karonnan Koroth , M. Vasundhara
Mn-doped ZnO nanocrystals exhibit a unique interplay between structural, photocatalytic, electrochemical, and magnetic functionalities, arising from doping and the evolution of secondary phases. In this study, a series of Zn1-xMnxO nanocrystals with varying Mn content are synthesized and their detailed photocatalytic, electrochemical and magnetic properties were systematically investigated. X-ray diffraction and Raman analysis confirm the formation of secondary spinel phases, namely ZnMn2O4 and Zn2MnO4, in addition to the primary hexagonal Zn1-xMnxO matrix. Field emission scanning electron microscopy and high-resolution transmission electron microscopy showed agglomerated, polygonal nanostructures with distorted hexagonal morphologies, while selected area electron diffraction confirmed the polycrystalline nature and coexistence of all three phases. X-ray photoelectron spectroscopy analysis reveals mixed valence states of Mn2+/Mn3+/Mn4+ and further confirms the coexistence of all three phases. These coexisting phases significantly influence the multifunctional behaviour of the material. The formation of these mixed phases leads to enhanced heterojunction interfaces, promoting efficient charge separation and improved visible-light photocatalytic activity, achieving ∼94 % photocatalytic efficiency within 60 min. Electrochemical analysis reveals increased specific capacitance with Mn incorporation, indicating good charge storage behaviour which attributes to the multiple active sites introduced by the spinel components. Magnetic measurements show notable clear asymmetry in hysteresis loop and increased coercivity, confirming the presence of exchange bias effect, which is found to have enhancement with increasing Mn content, likely due to interfacial coupling between ferromagnetic, antiferromagnetic, and spin-glass-like regions originating from different phases. To the best of our knowledge, this is the first report of exchange bias behaviour in Mn-doped ZnO nanocrystals featuring coexisting hexagonal and spinel structures. These findings provide valuable insights into the role of phase evolution in tuning multifunctional properties and establish a foundation for designing phase-engineered ZnO-based nanomaterials for energy, photocatalytic, and spintronic applications.
{"title":"Unveiling the exchange bias effect, enhanced photocatalytic and electrochemical performances in phase-engineered Mn-doped ZnO nanocrystals Co-Hosting ZnMn2O4/Zn2MnO4 spinels","authors":"Supin Karonnan Koroth , M. Vasundhara","doi":"10.1016/j.matchemphys.2025.131946","DOIUrl":"10.1016/j.matchemphys.2025.131946","url":null,"abstract":"<div><div>Mn-doped ZnO nanocrystals exhibit a unique interplay between structural, photocatalytic, electrochemical, and magnetic functionalities, arising from doping and the evolution of secondary phases. In this study, a series of Zn<sub>1-x</sub>Mn<sub>x</sub>O nanocrystals with varying Mn content are synthesized and their detailed photocatalytic, electrochemical and magnetic properties were systematically investigated. X-ray diffraction and Raman analysis confirm the formation of secondary spinel phases, namely ZnMn<sub>2</sub>O<sub>4</sub> and Zn<sub>2</sub>MnO<sub>4</sub>, in addition to the primary hexagonal Zn<sub>1-x</sub>Mn<sub>x</sub>O matrix. Field emission scanning electron microscopy and high-resolution transmission electron microscopy showed agglomerated, polygonal nanostructures with distorted hexagonal morphologies, while selected area electron diffraction confirmed the polycrystalline nature and coexistence of all three phases. X-ray photoelectron spectroscopy analysis reveals mixed valence states of Mn<sup>2+</sup>/Mn<sup>3+</sup>/Mn<sup>4+</sup> and further confirms the coexistence of all three phases. These coexisting phases significantly influence the multifunctional behaviour of the material. The formation of these mixed phases leads to enhanced heterojunction interfaces, promoting efficient charge separation and improved visible-light photocatalytic activity, achieving ∼94 % photocatalytic efficiency within 60 min. Electrochemical analysis reveals increased specific capacitance with Mn incorporation, indicating good charge storage behaviour which attributes to the multiple active sites introduced by the spinel components. Magnetic measurements show notable clear asymmetry in hysteresis loop and increased coercivity, confirming the presence of exchange bias effect, which is found to have enhancement with increasing Mn content, likely due to interfacial coupling between ferromagnetic, antiferromagnetic, and spin-glass-like regions originating from different phases. To the best of our knowledge, this is the first report of exchange bias behaviour in Mn-doped ZnO nanocrystals featuring coexisting hexagonal and spinel structures. These findings provide valuable insights into the role of phase evolution in tuning multifunctional properties and establish a foundation for designing phase-engineered ZnO-based nanomaterials for energy, photocatalytic, and spintronic applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131946"},"PeriodicalIF":4.7,"publicationDate":"2025-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study presents a physicochemical approach to the design and fabrication of biobased linseed oil microcapsules via coaxial electrospray for application in self-healing, corrosion-resistant epoxy coatings. Linseed oil, a renewable and biodegradable healing agent, was encapsulated within styrene-acrylonitrile (SAN) shells using a controlled electrospray process, enabling precise modulation of capsule morphology, size distribution, and core–shell integrity. The influence of processing parameters on interfacial stability and encapsulation efficiency was systematically investigated. The obtained microcapsules (MCs) were analyzed using several techniques, including FT-IR, FE-SEM, optical microscopy (OP), and TGA, and the results confirmed a successful encapsulation of linseed oil. The resulting MCs were incorporated into epoxy matrices, and their self-healing performance was evaluated through EIS, salt spray testing, and surface characterization. Coatings containing 5 wt% MCs exhibited superior barrier properties and autonomous healing behavior upon mechanical damage, achieving a healing efficiency of 97 % and showing negligible water uptake after 672 h of immersion in a saline solution, as determined by EIS measurements. Moreover, OP and FE-SEM analysis of the scratched coatings after seven days provided visual evidence of the healing efficiency of the coatings containing 5 wt% of MCs. The findings demonstrate that electrospray microencapsulation offers a scalable and tunable route for integrating biobased healing agents into functional coatings, with significant implications for sustainable corrosion protection in industrial environments.
{"title":"Self-healing epoxy coatings filled with microcapsules of linseed oil","authors":"Javad Ramezanpour , Rouhollah Bagheri , Saied Nouri Khorasani , Bahram Ramezanzadeh , Mohammadsadegh Koochaki","doi":"10.1016/j.matchemphys.2025.131941","DOIUrl":"10.1016/j.matchemphys.2025.131941","url":null,"abstract":"<div><div>This study presents a physicochemical approach to the design and fabrication of biobased linseed oil microcapsules via coaxial electrospray for application in self-healing, corrosion-resistant epoxy coatings. Linseed oil, a renewable and biodegradable healing agent, was encapsulated within styrene-acrylonitrile (SAN) shells using a controlled electrospray process, enabling precise modulation of capsule morphology, size distribution, and core–shell integrity. The influence of processing parameters on interfacial stability and encapsulation efficiency was systematically investigated. The obtained microcapsules (MCs) were analyzed using several techniques, including FT-IR, FE-SEM, optical microscopy (OP), and TGA, and the results confirmed a successful encapsulation of linseed oil. The resulting MCs were incorporated into epoxy matrices, and their self-healing performance was evaluated through EIS, salt spray testing, and surface characterization. Coatings containing 5 wt% MCs exhibited superior barrier properties and autonomous healing behavior upon mechanical damage, achieving a healing efficiency of 97 % and showing negligible water uptake after 672 h of immersion in a saline solution, as determined by EIS measurements. Moreover, OP and FE-SEM analysis of the scratched coatings after seven days provided visual evidence of the healing efficiency of the coatings containing 5 wt% of MCs. The findings demonstrate that electrospray microencapsulation offers a scalable and tunable route for integrating biobased healing agents into functional coatings, with significant implications for sustainable corrosion protection in industrial environments.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131941"},"PeriodicalIF":4.7,"publicationDate":"2025-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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