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CALPHAD-guided interlayer design for crack-free additive manufacturing of copper C18150 - Inconel 625 bimetallic structures. 基于calphad的C18150 - Inconel 625双金属结构无裂纹增材制造中间层设计
IF 6.9 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-26 eCollection Date: 2025-01-01 DOI: 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.

铜合金和镍基高温合金复合双金属结构的增材制造(AM)对于极端环境应用至关重要。然而,在制造过程中,由于热物理性质不匹配,界面开裂仍然存在。通过实现基于CALPHAD的ICME框架(CALPHAD:计算相图;ICME:综合计算材料工程),我们解码非平衡凝固和相稳定性,以预测开裂敏感性。液相分离成为主导机制,改变了溶质再分配和热应力积累——这是双金属体系中一个以前未被充分探索的因素。使用电弧增材制造(WAAM)的实验验证了模型预测:C18150和In625之间的无裂纹界面需要65 wt的中间层。% In625。该成分以最低的开裂敏感性系数(CSC)减轻开裂。重要的是,我们建立了相分离和CSC之间的定量相关性,提出了一种分析具有这些微观结构特征的系统的方法。这项工作通过将热化学建模与工艺优化联系起来,使用ICME方法,为在极端环境(如火箭发动机喷嘴)中设计抗缺陷双金属部件提供了新的原则。
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引用次数: 0
Lithium interphase enhancement for applications in lithium-sulphur batteries. 在锂硫电池中的应用。
IF 6.9 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-24 eCollection Date: 2025-01-01 DOI: 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.

金属锂阳极的稳定镀锂/剥离被认为是后锂离子电池(包括锂硫电池和锂空气电池)发展的紧迫挑战。在这项工作中,我们报告了一种新的简单而经济的方法,通过将锂表面浸入氮饱和溶液中,在锂金属表面生长保护层,消除了在受控气氛中报道的改性方法的操作限制。n2处理后的锂在对称结构中表现出长时间的循环和化学稳定性。研究表明,经过处理的锂阳极显著提高了锂硫电池的循环稳定性、库仑效率和倍率能力。
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引用次数: 0
Review of recent developments in capacitor-type heat flow switching devices. 电容式热流开关器件的最新进展综述。
IF 6.9 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-24 eCollection Date: 2025-01-01 DOI: 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 V B = +3 V to 1.9 at V B = +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。
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引用次数: 0
Isomerization of spiropyran photoswitches in microphase-separated block copolymers. 螺吡喃光开关在微相分离嵌段共聚物中的异构化。
IF 6.9 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-20 eCollection Date: 2025-01-01 DOI: 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 (T g) poly(methyl methacrylate) block and a low-T g 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.

分子光开关被整合到材料中以赋予光响应性,从而实现了广泛的迷人应用。虽然它们在材料内的周围环境通过物理和化学相互作用强烈地影响光响应和热可逆行为,但这些影响仍然知之甚少。在本研究中,我们研究了螺吡喃(SP)的双向光异构化和热反异构化。螺吡喃是一种典型的光开关,在可逆异构化成merocyanine (MC)的过程中,其极性会发生很大的变化。螺吡喃被化学集成到二嵌段共聚物(dBCPs)中,表现出有序或无序的微相分离。我们合成了一系列dBCPs,包括高玻璃化转变温度(T g)的聚甲基丙烯酸甲酯嵌段和低T g的SP丙烯酸酯和丙烯酸正丁酯统计共聚物嵌段,具有不同的组成、分子量和微相分离结构。结果表明,有序微相分离结构和无序微相分离结构的sp - mc和mc - sp光异构化过程的速率有很大差异,而不同有序微相分离结构的sp - mc光异构化过程的速率具有可比性。相反,光异构化产率几乎不受微相分离的影响。这些发现为基于光开关的光响应智能材料的分子和聚合物设计提供了有价值的见解,并将有助于它们的进一步发展和应用。
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引用次数: 0
Rapid homoepitaxial growth of (011) β-Ga2O3 by HCl-based halide vapor phase epitaxy. hcl基卤化物气相外延快速生长(011)β-Ga2O3。
IF 6.9 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-10 eCollection Date: 2025-01-01 DOI: 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.

我们利用HCl基卤化物气相外延(HVPE)在(011)β-Ga2O3衬底上实现了快速的同外延生长,其中通过金属Ga与HCl气体反应合成了GaCl,并检测了所得层的性能。这些与使用基于Cl2的HVPE生长的层进行了比较,其中GaCl是由Ga和Cl2产生的。HVPE在(011)基体上的生长速率达到~14 μm/h,约为在(001)基体上的60%,比以往报道的cl2基HVPE的生长速率高5-7倍。尽管这一比率很高,但没有检测到多晶颗粒,有时在cl2基HVPE中发现。原子力显微镜显示,在100 × 100 μm2的面积上,表面的均方根粗糙度为6.5 nm。相比之下,Nomarski显微镜显示存在坑(直径~10 μm,厚度3.6 μm),密度为~3.7 × 103 cm-2,这是cl2基HVPE未报道的特征。横截面透射电子显微镜证实在坑底没有晶体缺陷或夹杂物。x射线衍射2θ-ω扫描和极点图测量证实外延层为单晶,岩石曲线FWHM值与衬底相当或小于衬底。二次离子质谱分析显示,氯离子浓度为1.7 × 1015 cm-3,显著低于(001)层中测得的1.1 × 1016 cm-3。因此,虽然坑问题需要进一步研究,但基于hcl的HVPE使低氯(011)β-Ga2O3快速增长,为具有厚漂移层的高性能功率器件的成本降低提供了巨大的潜力。
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引用次数: 0
Strategies to improve the thermoelectric performance of iron silicide-based materials. 提高硅化铁基材料热电性能的策略。
IF 6.9 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-10 eCollection Date: 2025-01-01 DOI: 10.1080/14686996.2025.2585555
Sopheap Sam, Sreypich Say, Kosuke Yamazaki, Hiroshi Nakatsugawa

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.

硅化铁(β-FeSi2)因其丰富、无毒和环境相容性而成为一种可持续的热电材料,引起了人们的广泛关注。它们的传导灵活性允许大范围的掺杂剂调整传输行为,为提高性能创造机会。然而,掺杂物的溶解度限制和二次相的形成仍然是主要的挑战。在本文中,我们重点介绍了提高β- fesi2基材料热电性能的策略的最新进展,并讨论了相演化,电和热输运之间的相互作用。我们还概述了可能进一步改进的前景,为这种材料系统提供更高热电效率的途径。
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引用次数: 0
Thermal spin transport phenomena and their correlation to magnetic properties of metallic Pt/Co1-xFex and Pt/Ni1-xFex bilayers. Pt/Co1-xFex和Pt/Ni1-xFex双分子层的热自旋输运现象及其与磁性能的关系
IF 6.9 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-10 eCollection Date: 2025-01-01 DOI: 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.

我们通过溅射沉积的Pt/Co1-xFex和Pt/Ni1-xFex双层层,研究了铁磁性金属中相邻自旋极化Pt层的热自旋输运现象。我们定量地将自旋塞贝克效应产生的检测电压与铁磁性金属和自旋极化铂层产生的反常能司特效应的贡献分开。此外,我们还探讨了上述效应对铁磁性金属和自旋极化Pt层的组成和磁矩的依赖关系。我们报告了所有的影响对组成的强烈依赖,通过增加/减少铁磁性金属和自旋极化铂层的磁矩的影响系数的增加/减少。根据我们的描述,我们的工作提供了金属中的定量自旋塞贝克系数和名义上非磁性材料(如Pt)中的热自旋输运系数,这将为未来设计自旋热电子应用奠定基础。
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引用次数: 0
A review on molecular simulations for the rupture of cross-linked polymer networks. 交联聚合物网络断裂的分子模拟研究进展。
IF 6.9 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-10 eCollection Date: 2025-01-01 DOI: 10.1080/14686996.2025.2587391
Yuichi Masubuchi, Takato Ishida, Yusuke Koide, Takashi Uneyama

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.

尽管与更广泛的领域相比,专注于聚合物网络破裂的模拟研究仍然相对有限,但最近的进展使得越来越细致的研究能够在分子结构和宏观破坏行为之间建立联系。本文综述了聚合物网络破裂的分子模拟方法的演变,从早期的相关材料研究到最新的方法。关键的挑战-包括与实验不匹配的空间和时间尺度,粗粒度模型的有效性,模拟协议和边界条件的选择,以及有意义的结构描述符的发展-进行了批判性的讨论。特别注意到假设的普遍性,目前的方法的局限性,和持续需要理论健全和实验可访问的网络表征。计算技术的持续进步、模型的开发以及与实验见解的整合对于更深入、更预测性地理解聚合物网络破裂至关重要。
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引用次数: 0
Improvement of reversible compressibility of ultralight carbon nanotube/carboxymethyl cellulose materials through hydrophobic surface treatment. 疏水表面处理提高超轻碳纳米管/羧甲基纤维素材料的可逆压缩性能。
IF 6.9 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-06 eCollection Date: 2025-01-01 DOI: 10.1080/14686996.2025.2580919
Reo Yanagi, Hitomi Shimamura, Kenta Ono, Junko Hieda, Tomonaga Ueno

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).

超轻材料的力学性能受其组成材料、内部多孔结构和表面状态的影响。表面化学状态对于由亲水性聚合物(如纤维素)组成的材料尤其重要,因为它们与周围水的相互作用非常重要。在这项研究中,我们报道了超轻碳纳米管(CNT)/羧甲基纤维素(CMC)材料的可逆压缩性可以通过硅烷偶联剂的疏水表面处理来增强。我们考察了疏水处理条件,并研究了它们对超轻材料微观结构和表面化学性能的影响。体积密度为1.6 mg/cm3的疏水超轻碳纳米管/CMC材料表现出优越的可逆压缩性,即使在高湿条件下(80% RH)也具有65%的回收率。
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引用次数: 0
Effect of relative density on dynamic mechanical behavior and deformation mechanisms of porous titanium under coupled high-temperature and high-strain-rate conditions. 高温高应变速率耦合条件下相对密度对多孔钛动态力学行为及变形机制的影响
IF 6.9 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-28 eCollection Date: 2025-01-01 DOI: 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 (ρ r  < 0.5) undergo layer-by-layer collapse dominated by cell-wall bending, while high-density specimens (ρ r  > 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。
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引用次数: 0
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