Pub Date : 2025-11-26eCollection Date: 2025-01-01DOI: 10.1080/14686996.2025.2587393
Liyi Wang, Luis Fernando Ladinos Pizano, Michael A Klecka, Kelsay Neely, Wei Xiong
Additive manufacturing (AM) of bimetallic structures combining copper alloys and Ni-based superalloys is critical for extreme environmental applications. However, interface cracking during fabrication persists due to thermophysical property mismatches. By implementing a CALPHAD-based ICME framework (CALPHAD: Calculation of Phase Diagrams; ICME: Integrated Computational Materials Engineering), we decode nonequilibrium solidification and phase stability to predict cracking susceptibility. Liquid phase separation emerges as the dominant mechanism, altering solute redistribution and thermal stress accumulation - a previously underexplored factor in bimetallic systems. Experiments using wire arc additive manufacturing (WAAM) validate model prediction: crack-free interfaces between C18150 and In625 require intermediate layers with 65 wt.% In625. This composition mitigates cracking with the lowest cracking susceptibility coefficient (CSC). Importantly, we establish a quantitative correlation between phase separation and CSC, proposing a way to analyze systems exhibiting these microstructural features. This work uses ICME methodologies by linking thermochemical modeling to process optimization, offering new principles for designing defect-resistant bimetallic components in extreme environments such as rocket engine nozzles.
{"title":"CALPHAD-guided interlayer design for crack-free additive manufacturing of copper C18150 - Inconel 625 bimetallic structures.","authors":"Liyi Wang, Luis Fernando Ladinos Pizano, Michael A Klecka, Kelsay Neely, Wei Xiong","doi":"10.1080/14686996.2025.2587393","DOIUrl":"10.1080/14686996.2025.2587393","url":null,"abstract":"<p><p>Additive manufacturing (AM) of bimetallic structures combining copper alloys and Ni-based superalloys is critical for extreme environmental applications. However, interface cracking during fabrication persists due to thermophysical property mismatches. By implementing a CALPHAD-based ICME framework (CALPHAD: Calculation of Phase Diagrams; ICME: Integrated Computational Materials Engineering), we decode nonequilibrium solidification and phase stability to predict cracking susceptibility. Liquid phase separation emerges as the dominant mechanism, altering solute redistribution and thermal stress accumulation - a previously underexplored factor in bimetallic systems. Experiments using wire arc additive manufacturing (WAAM) validate model prediction: crack-free interfaces between C18150 and In625 require intermediate layers with 65 wt.% In625. This composition mitigates cracking with the lowest cracking susceptibility coefficient (CSC). Importantly, we establish a quantitative correlation between phase separation and CSC, proposing a way to analyze systems exhibiting these microstructural features. This work uses ICME methodologies by linking thermochemical modeling to process optimization, offering new principles for designing defect-resistant bimetallic components in extreme environments such as rocket engine nozzles.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"26 1","pages":"2587393"},"PeriodicalIF":6.9,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12667290/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145661915","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-24eCollection Date: 2025-01-01DOI: 10.1080/14686996.2025.2593686
Antonio De Marco, Morteza Rahmanipour, Gioele Pagot, Giampaolo Lacarbonara
Stable lithium plating/stripping of metallic lithium anode is considered as the urgent challenge for the development of post-lithium-ion batteries including lithium-sulphur and lithium-air batteries. In this work, we report a new facile and cost-effective method to grow a protective layer on the surface of lithium metal through immersing the lithium surface in a nitrogen-saturated solution that eliminates the operational restrictions of reported modification approaches in controlled atmosphere. N2-treated lithium shows prolonged cycling in a symmetric configuration and chemical stability. We demonstrate that the treated Li anode notably enhances the cycling stability, coulombic efficiency, as well as the rate capability of lithium-sulphur cells.
{"title":"Lithium interphase enhancement for applications in lithium-sulphur batteries.","authors":"Antonio De Marco, Morteza Rahmanipour, Gioele Pagot, Giampaolo Lacarbonara","doi":"10.1080/14686996.2025.2593686","DOIUrl":"10.1080/14686996.2025.2593686","url":null,"abstract":"<p><p>Stable lithium plating/stripping of metallic lithium anode is considered as the urgent challenge for the development of post-lithium-ion batteries including lithium-sulphur and lithium-air batteries. In this work, we report a new facile and cost-effective method to grow a protective layer on the surface of lithium metal through immersing the lithium surface in a nitrogen-saturated solution that eliminates the operational restrictions of reported modification approaches in controlled atmosphere. N<sub>2</sub>-treated lithium shows prolonged cycling in a symmetric configuration and chemical stability. We demonstrate that the treated Li anode notably enhances the cycling stability, coulombic efficiency, as well as the rate capability of lithium-sulphur cells.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"26 1","pages":"2593686"},"PeriodicalIF":6.9,"publicationDate":"2025-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12707089/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145775589","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-24eCollection Date: 2025-01-01DOI: 10.1080/14686996.2025.2590797
Keisuke Hirata, Tsunehiro Takeuchi
This review summarizes our recent developments in capacitor-type heat flow switching devices that enable active control of heat flow magnitude through the modulation of electron thermal conductivity. We initially demonstrated the feasibility of a capacitor-type heat flow switching device using silver chalcogenides, Ag2S1-x Se x , as an electrode material with very low lattice thermal conductivity (≤0.5 W m-1 K-1). We achieved significant enhancements in heat flow switching performance through subsequent improvements, including electrode thinning and the implementation of an electric double-layer capacitor structure with ionic liquids. The switching ratio improved from an initial value of 1.1 at the bias voltage of VB = +3 V to 1.9 at VB = +2.4 V, while response times were estimated to be less than 0.2 s. This review discusses the operating principles, experimental methods, and performance metrics across different device configurations, highlighting the critical role of electrode materials with extremely low lattice thermal conductivity. Our findings establish a promising candidate for practical thermal management applications that require rapid and reliable heat flow control without mechanical components.
本文综述了我们在电容型热流开关器件方面的最新进展,这种器件能够通过调制电子导热性来主动控制热流大小。我们最初证明了一种电容器型热流开关器件的可行性,该器件使用硫系银Ag2S1-x Se x作为极低晶格导热系数(≤0.5 W m-1 K-1)的电极材料。通过随后的改进,包括电极变薄和离子液体双电层电容器结构的实现,我们实现了热流开关性能的显著增强。在偏置电压V B = +3 V时,开关比的初始值为1.1,而在偏置电压V B = +2.4 V时,开关比提高到1.9,而响应时间估计小于0.2 s。本文讨论了不同器件配置的工作原理、实验方法和性能指标,强调了极低晶格热导率的电极材料的关键作用。我们的研究结果为实际热管理应用建立了一个有希望的候选者,需要快速可靠的热流控制,而不需要机械组件。
{"title":"Review of recent developments in capacitor-type heat flow switching devices.","authors":"Keisuke Hirata, Tsunehiro Takeuchi","doi":"10.1080/14686996.2025.2590797","DOIUrl":"10.1080/14686996.2025.2590797","url":null,"abstract":"<p><p>This review summarizes our recent developments in capacitor-type heat flow switching devices that enable active control of heat flow magnitude through the modulation of electron thermal conductivity. We initially demonstrated the feasibility of a capacitor-type heat flow switching device using silver chalcogenides, Ag<sub>2</sub>S<sub>1-<i>x</i></sub> Se <sub><i>x</i></sub> , as an electrode material with very low lattice thermal conductivity (≤0.5 W m<sup>-1</sup> K<sup>-1</sup>). We achieved significant enhancements in heat flow switching performance through subsequent improvements, including electrode thinning and the implementation of an electric double-layer capacitor structure with ionic liquids. The switching ratio improved from an initial value of 1.1 at the bias voltage of <i>V</i> <sub>B</sub> = +3 V to 1.9 at <i>V</i> <sub>B</sub> = +2.4 V, while response times were estimated to be less than 0.2 s. This review discusses the operating principles, experimental methods, and performance metrics across different device configurations, highlighting the critical role of electrode materials with extremely low lattice thermal conductivity. Our findings establish a promising candidate for practical thermal management applications that require rapid and reliable heat flow control without mechanical components.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"26 1","pages":"2590797"},"PeriodicalIF":6.9,"publicationDate":"2025-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12720686/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145820249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-20eCollection Date: 2025-01-01DOI: 10.1080/14686996.2025.2590800
Keiichi Imato, Koki Momota, Ichiro Imae, Tomoyasu Hirai, Yousuke Ooyama
Molecular photoswitches are incorporated into materials to impart photoresponsiveness, enabling a wide range of fascinating applications. Although their surrounding environments within materials strongly influence the photoresponsive and thermally reversible behaviors through physical and chemical interactions, these effects remain poorly understood. In this study, we investigate the two-way photoisomerization and thermal back-isomerization of spiropyran (SP)-a representative photoswitch that undergoes large polarity changes upon the reversible isomerization to merocyanine (MC)-chemically integrated into diblock copolymers (dBCPs) exhibiting either ordered or disordered microphase separation. We synthesize a series of dBCPs consisting of a high-glass-transition-temperature (Tg) poly(methyl methacrylate) block and a low-Tg statistical copolymer block of SP acrylate and n-butyl acrylate, with varying compositions, molecular weights, and microphase-separated structures. The results reveal that the rates of both the SP-to-MC and MC-to-SP photoisomerization processes differ substantially between ordered and disordered microphase-separated structures but are comparable among the different ordered morphologies. In contrast, the photoisomerization yields are scarcely affected by the microphase separation. These findings provide valuable insights into the molecular and polymer design of photoresponsive smart materials based on photoswitches and will contribute to their further development and applications.
{"title":"Isomerization of spiropyran photoswitches in microphase-separated block copolymers.","authors":"Keiichi Imato, Koki Momota, Ichiro Imae, Tomoyasu Hirai, Yousuke Ooyama","doi":"10.1080/14686996.2025.2590800","DOIUrl":"10.1080/14686996.2025.2590800","url":null,"abstract":"<p><p>Molecular photoswitches are incorporated into materials to impart photoresponsiveness, enabling a wide range of fascinating applications. Although their surrounding environments within materials strongly influence the photoresponsive and thermally reversible behaviors through physical and chemical interactions, these effects remain poorly understood. In this study, we investigate the two-way photoisomerization and thermal back-isomerization of spiropyran (SP)-a representative photoswitch that undergoes large polarity changes upon the reversible isomerization to merocyanine (MC)-chemically integrated into diblock copolymers (dBCPs) exhibiting either ordered or disordered microphase separation. We synthesize a series of dBCPs consisting of a high-glass-transition-temperature (<i>T</i> <sub>g</sub>) poly(methyl methacrylate) block and a low-<i>T</i> <sub>g</sub> statistical copolymer block of SP acrylate and <i>n</i>-butyl acrylate, with varying compositions, molecular weights, and microphase-separated structures. The results reveal that the rates of both the SP-to-MC and MC-to-SP photoisomerization processes differ substantially between ordered and disordered microphase-separated structures but are comparable among the different ordered morphologies. In contrast, the photoisomerization yields are scarcely affected by the microphase separation. These findings provide valuable insights into the molecular and polymer design of photoresponsive smart materials based on photoswitches and will contribute to their further development and applications.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"26 1","pages":"2590800"},"PeriodicalIF":6.9,"publicationDate":"2025-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12707078/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145775599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-10eCollection Date: 2025-01-01DOI: 10.1080/14686996.2025.2585551
Yuichi Oshima, Takayoshi Oshima
We demonstrated rapid homoepitaxial growth on (011) β-Ga2O3 substrates using HCl-based halide vapor phase epitaxy (HVPE), in which GaCl was synthesized by reacting metallic Ga with HCl gas, and examined properties of the resulting layer. These were compared with layers grown using Cl2-based HVPE, where GaCl was produced from Ga and Cl2. The growth rate on (011) substrates, approximately 60% of that on (001), reached ~14 μm/h, which was 5-7 times higher than those previously reported for Cl2-based HVPE. Despite this high rate, no polycrystalline grains, sometimes found in Cl2-based HVPE, were detected. Atomic force microscopy revealed a surface with root-mean-square roughness of 6.5 nm over a 100 × 100 μm2 area. In contrast, Nomarski microscopy revealed the presence of pits (~10 μm in diameter at 3.6 μm thickness) with a density of ~3.7 × 103 cm-2, a feature not reported for Cl2-based HVPE. Cross-sectional transmission electron microscopy confirmed the absence of crystal defects or inclusions at the pit bottom. X-ray diffraction 2θ-ω scans and pole figure measurements confirmed that the epitaxial layers were single crystalline, with rocking-curve FWHM values comparable to or smaller than those of the substrate. Secondary ion mass spectrometry revealed a chlorine concentration of 1.7 × 1015 cm-3, which was significantly lower than 1.1 × 1016 cm-3 measured in the (001) layers. Thus, while the pit issue requires further investigation, HCl-based HVPE enables the rapid growth of low-chlorine (011) β-Ga2O3, offering significant potential for cost reduction in high-performance power devices with thick drift layers.
{"title":"Rapid homoepitaxial growth of (011) β-Ga<sub>2</sub>O<sub>3</sub> by HCl-based halide vapor phase epitaxy.","authors":"Yuichi Oshima, Takayoshi Oshima","doi":"10.1080/14686996.2025.2585551","DOIUrl":"10.1080/14686996.2025.2585551","url":null,"abstract":"<p><p>We demonstrated rapid homoepitaxial growth on (011) β-Ga<sub>2</sub>O<sub>3</sub> substrates using HCl-based halide vapor phase epitaxy (HVPE), in which GaCl was synthesized by reacting metallic Ga with HCl gas, and examined properties of the resulting layer. These were compared with layers grown using Cl<sub>2</sub>-based HVPE, where GaCl was produced from Ga and Cl<sub>2</sub>. The growth rate on (011) substrates, approximately 60% of that on (001), reached ~14 μm/h, which was 5-7 times higher than those previously reported for Cl<sub>2</sub>-based HVPE. Despite this high rate, no polycrystalline grains, sometimes found in Cl<sub>2</sub>-based HVPE, were detected. Atomic force microscopy revealed a surface with root-mean-square roughness of 6.5 nm over a 100 × 100 μm<sup>2</sup> area. In contrast, Nomarski microscopy revealed the presence of pits (~10 μm in diameter at 3.6 μm thickness) with a density of ~3.7 × 10<sup>3</sup> cm<sup>-2</sup>, a feature not reported for Cl<sub>2</sub>-based HVPE. Cross-sectional transmission electron microscopy confirmed the absence of crystal defects or inclusions at the pit bottom. X-ray diffraction 2<i>θ</i>-<i>ω</i> scans and pole figure measurements confirmed that the epitaxial layers were single crystalline, with rocking-curve FWHM values comparable to or smaller than those of the substrate. Secondary ion mass spectrometry revealed a chlorine concentration of 1.7 × 10<sup>15</sup> cm<sup>-3</sup>, which was significantly lower than 1.1 × 10<sup>16</sup> cm<sup>-3</sup> measured in the (001) layers. Thus, while the pit issue requires further investigation, HCl-based HVPE enables the rapid growth of low-chlorine (011) β-Ga<sub>2</sub>O<sub>3</sub>, offering significant potential for cost reduction in high-performance power devices with thick drift layers.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"26 1","pages":"2585551"},"PeriodicalIF":6.9,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12667350/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145661948","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Iron silicide (β-FeSi2) has attracted considerable interest as a sustainable thermoelectric material due to its abundance, non-toxicity, and environmental compatibility. Their conduction flexibility allows a wide range of dopants to tune transport behavior, creating opportunities for improved performance. However, dopant solubility limits and the formation of secondary phases remain key challenges. In this article, we highlight recent advances in strategies to enhance the thermoelectric performance of β-FeSi2-based materials and discuss the interplay between phase evolution, electrical, and thermal transport. We also outline prospects that may unlock further improvements, offering pathways toward higher thermoelectric efficiency in this material system.
{"title":"Strategies to improve the thermoelectric performance of iron silicide-based materials.","authors":"Sopheap Sam, Sreypich Say, Kosuke Yamazaki, Hiroshi Nakatsugawa","doi":"10.1080/14686996.2025.2585555","DOIUrl":"10.1080/14686996.2025.2585555","url":null,"abstract":"<p><p>Iron silicide (β-FeSi<sub>2</sub>) has attracted considerable interest as a sustainable thermoelectric material due to its abundance, non-toxicity, and environmental compatibility. Their conduction flexibility allows a wide range of dopants to tune transport behavior, creating opportunities for improved performance. However, dopant solubility limits and the formation of secondary phases remain key challenges. In this article, we highlight recent advances in strategies to enhance the thermoelectric performance of β-FeSi<sub>2</sub>-based materials and discuss the interplay between phase evolution, electrical, and thermal transport. We also outline prospects that may unlock further improvements, offering pathways toward higher thermoelectric efficiency in this material system.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"26 1","pages":"2585555"},"PeriodicalIF":6.9,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12667310/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145661965","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-10eCollection Date: 2025-01-01DOI: 10.1080/14686996.2025.2587389
Panagiota Bougiatioti, Orestis Manos, Günter Reiss, Timo Kuschel
We investigate the thermal spin transport phenomena in ferromagnetic metals with an adjacent spin-polarized Pt layer examining sputter-deposited Pt/Co1-xFex and Pt/Ni1-xFex bilayers. We quantitatively disentangle the detected voltages generated by the spin Seebeck effect from the anomalous Nernst effect contributions arising from both the ferromagnetic metal and the spin-polarized Pt layer. Further, we probe the dependence of the aforementioned effects on the composition and on the magnetic moments of both the ferromagnetic metal and the spin-polarized Pt layer. We report a strong dependence of all effects on the composition via increase/decrease of the effect coefficients with increasing/decreasing magnetic moments of both the ferromagnetic metal and the spin-polarized Pt layer. Following our descriptions, our work provides quantitative spin Seebeck coefficients in metals and thermal spin transport coefficients in nominally non-magnetic materials such as Pt which will be the base for future designs of spin caloritronic applications.
{"title":"Thermal spin transport phenomena and their correlation to magnetic properties of metallic Pt/Co<sub>1-x</sub>Fe<sub>x</sub> and Pt/Ni<sub>1-x</sub>Fe<sub>x</sub> bilayers.","authors":"Panagiota Bougiatioti, Orestis Manos, Günter Reiss, Timo Kuschel","doi":"10.1080/14686996.2025.2587389","DOIUrl":"10.1080/14686996.2025.2587389","url":null,"abstract":"<p><p>We investigate the thermal spin transport phenomena in ferromagnetic metals with an adjacent spin-polarized Pt layer examining sputter-deposited Pt/Co<sub>1-x</sub>Fe<sub>x</sub> and Pt/Ni<sub>1-x</sub>Fe<sub>x</sub> bilayers. We quantitatively disentangle the detected voltages generated by the spin Seebeck effect from the anomalous Nernst effect contributions arising from both the ferromagnetic metal and the spin-polarized Pt layer. Further, we probe the dependence of the aforementioned effects on the composition and on the magnetic moments of both the ferromagnetic metal and the spin-polarized Pt layer. We report a strong dependence of all effects on the composition via increase/decrease of the effect coefficients with increasing/decreasing magnetic moments of both the ferromagnetic metal and the spin-polarized Pt layer. Following our descriptions, our work provides quantitative spin Seebeck coefficients in metals and thermal spin transport coefficients in nominally non-magnetic materials such as Pt which will be the base for future designs of spin caloritronic applications.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"26 1","pages":"2587389"},"PeriodicalIF":6.9,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12707101/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145775632","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Although simulation studies focused on polymer network rupture remain relatively limited compared to the broader field, recent advances have enabled increasingly nuanced investigations that bridge molecular structures and macroscopic failure behaviors. This review surveys the evolution of molecular simulation approaches for polymer network rupture, from early studies on related materials to state-of-the-art methods. Key challenges - including mismatched spatial and temporal scales with experiments, the validity of coarse-grained models, the choice of simulation protocols and boundary conditions, and the development of meaningful structural descriptors - are critically discussed. Special attention is paid to the assumptions underlying universality, limitations of current methodologies, and the ongoing need for theoretically sound and experimentally accessible network characterization. Continued progress in computational techniques, model development, and integration with experimental insights will be essential for a deeper, predictive understanding of polymer network rupture.
{"title":"A review on molecular simulations for the rupture of cross-linked polymer networks.","authors":"Yuichi Masubuchi, Takato Ishida, Yusuke Koide, Takashi Uneyama","doi":"10.1080/14686996.2025.2587391","DOIUrl":"10.1080/14686996.2025.2587391","url":null,"abstract":"<p><p>Although simulation studies focused on polymer network rupture remain relatively limited compared to the broader field, recent advances have enabled increasingly nuanced investigations that bridge molecular structures and macroscopic failure behaviors. This review surveys the evolution of molecular simulation approaches for polymer network rupture, from early studies on related materials to state-of-the-art methods. Key challenges - including mismatched spatial and temporal scales with experiments, the validity of coarse-grained models, the choice of simulation protocols and boundary conditions, and the development of meaningful structural descriptors - are critically discussed. Special attention is paid to the assumptions underlying universality, limitations of current methodologies, and the ongoing need for theoretically sound and experimentally accessible network characterization. Continued progress in computational techniques, model development, and integration with experimental insights will be essential for a deeper, predictive understanding of polymer network rupture.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"26 1","pages":"2587391"},"PeriodicalIF":6.9,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12720633/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145820272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The mechanical properties of ultralight materials are influenced by their constituent materials, internal porous structures, and surface states. The surface chemical state is particularly crucial for materials composed of hydrophilic polymers such as cellulose, where interactions with ambient water are significant. In this study, we report that the reversible compressibility of ultralight carbon nanotube (CNT)/carboxymethyl cellulose (CMC) materials can be enhanced by hydrophobic surface treatment with silane coupling agents. We examined the treatment conditions for hydrophobization and investigated their impact on the microstructure and surface chemical properties of the ultralight material. The hydrophobized ultralight CNT/CMC materials with a bulk density of 1.6 mg/cm3 demonstrated superior reversible compressibility, with a 65% recovery rate even under high humidity conditions (80% RH).
{"title":"Improvement of reversible compressibility of ultralight carbon nanotube/carboxymethyl cellulose materials through hydrophobic surface treatment.","authors":"Reo Yanagi, Hitomi Shimamura, Kenta Ono, Junko Hieda, Tomonaga Ueno","doi":"10.1080/14686996.2025.2580919","DOIUrl":"https://doi.org/10.1080/14686996.2025.2580919","url":null,"abstract":"<p><p>The mechanical properties of ultralight materials are influenced by their constituent materials, internal porous structures, and surface states. The surface chemical state is particularly crucial for materials composed of hydrophilic polymers such as cellulose, where interactions with ambient water are significant. In this study, we report that the reversible compressibility of ultralight carbon nanotube (CNT)/carboxymethyl cellulose (CMC) materials can be enhanced by hydrophobic surface treatment with silane coupling agents. We examined the treatment conditions for hydrophobization and investigated their impact on the microstructure and surface chemical properties of the ultralight material. The hydrophobized ultralight CNT/CMC materials with a bulk density of 1.6 mg/cm<sup>3</sup> demonstrated superior reversible compressibility, with a 65% recovery rate even under high humidity conditions (80% RH).</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"26 1","pages":"2580919"},"PeriodicalIF":6.9,"publicationDate":"2025-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12649775/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145638230","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-28eCollection Date: 2025-01-01DOI: 10.1080/14686996.2025.2580925
Dong Yang, Mingyu Li
The influence of relative density on the dynamic mechanical behavior of porous titanium under combined high-temperature and high-strain-rate conditions is investigated. Using validated finite element models based on three-dimensional Voronoi tessellations, simulations of Split Hopkinson Pressure Bar (SHPB) tests were conducted across a range of relative densities (0.3-0.6), strain rates (3000-8000 s-1), and temperatures (25-550 °C). Results demonstrate that increasing relative density from 0.3 to 0.6 increases the yield stress by 511.8%, attributed to enhanced cell-wall interactions and a concomitant shift in deformation mechanisms. Strain rate strengthening and thermal softening compete, with high relative density amplifying both effects. The stress-strain curves exhibit three characteristic regimes: linear elasticity, plateau, and densification, where higher relative density shortens the plateau stage and advances densification onset. Low-density specimens (ρr < 0.5) undergo layer-by-layer collapse dominated by cell-wall bending, while high-density specimens (ρr > 0.5) exhibit matrix-dominated triaxial compression with reduced localized deformation. Quantitative analysis of regionally partitioned displacement confirms that strain rate intensifies the magnitude of localized deformation, whereas temperature primarily induces global softening. These insights provide a predictive framework for designing porous titanium architectures with tailored dynamic performance in extreme environments.
研究了高温高应变速率复合条件下相对密度对多孔钛动态力学行为的影响。利用基于三维Voronoi细分的验证有限元模型,在相对密度(0.3-0.6)、应变速率(3000-8000 s-1)和温度(25-550°C)范围内进行了劈裂霍普金森压力棒(SHPB)试验的模拟。结果表明,当相对密度从0.3增加到0.6时,屈服应力增加了511.8%,这是由于细胞壁相互作用增强以及变形机制随之改变。应变速率强化和热软化相互竞争,较高的相对密度放大了这两种效果。应力-应变曲线表现为线性弹性、高原和致密化三种特征,其中较高的相对密度缩短了高原阶段,加速了致密化的发生。低密度试样(ρ r ρ r > 0.5)表现为基体主导的三轴压缩,局部变形减小。区域分区位移的定量分析证实,应变速率加剧了局部变形的幅度,而温度主要引起全局软化。这些见解为在极端环境中设计具有定制动态性能的多孔钛结构提供了预测框架。
{"title":"Effect of relative density on dynamic mechanical behavior and deformation mechanisms of porous titanium under coupled high-temperature and high-strain-rate conditions.","authors":"Dong Yang, Mingyu Li","doi":"10.1080/14686996.2025.2580925","DOIUrl":"10.1080/14686996.2025.2580925","url":null,"abstract":"<p><p>The influence of relative density on the dynamic mechanical behavior of porous titanium under combined high-temperature and high-strain-rate conditions is investigated. Using validated finite element models based on three-dimensional Voronoi tessellations, simulations of Split Hopkinson Pressure Bar (SHPB) tests were conducted across a range of relative densities (0.3-0.6), strain rates (3000-8000 s<sup>-1</sup>), and temperatures (25-550 °C). Results demonstrate that increasing relative density from 0.3 to 0.6 increases the yield stress by 511.8%, attributed to enhanced cell-wall interactions and a concomitant shift in deformation mechanisms. Strain rate strengthening and thermal softening compete, with high relative density amplifying both effects. The stress-strain curves exhibit three characteristic regimes: linear elasticity, plateau, and densification, where higher relative density shortens the plateau stage and advances densification onset. Low-density specimens (<i>ρ</i> <sub><i>r</i></sub> < 0.5) undergo layer-by-layer collapse dominated by cell-wall bending, while high-density specimens (<i>ρ</i> <sub><i>r</i></sub> > 0.5) exhibit matrix-dominated triaxial compression with reduced localized deformation. Quantitative analysis of regionally partitioned displacement confirms that strain rate intensifies the magnitude of localized deformation, whereas temperature primarily induces global softening. These insights provide a predictive framework for designing porous titanium architectures with tailored dynamic performance in extreme environments.</p>","PeriodicalId":21588,"journal":{"name":"Science and Technology of Advanced Materials","volume":"26 1","pages":"2580925"},"PeriodicalIF":6.9,"publicationDate":"2025-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12621337/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145550445","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}